National Library of Energy BETA

Sample records for md mn ms

  1. miniMD v. 1.0

    Energy Science and Technology Software Center (OSTI)

    2009-06-12

    Simple parallel MD code that serves as a microapplication in the Mantevo suite. Study of computer system design and implementation, benchmarking of new and existing computer systems.

  2. APS March Meeting (Baltimore, MD) - JCAP

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    APS March Meeting (Baltimore, MD) APS March Meeting (Baltimore, MD) Mon, Mar 14, 2016 8:00am 08:00 Fri, Mar 18, 2016 9:00am 09:00 Baltimore Convention Center 1 W Pratt St Baltimore, MD 21201 United States Bryan Beckingham and Daniel Miller, "Quantitative Monitoring of Membrane Permeation via In-Situ ATR FT-IR Spectroscopy" Abstract: Ion conducting membranes are of interest for various energy applications including fuel cells and artificial photosynthesis systems. Within the context of

  3. DOE - Office of Legacy Management -- Johns Hopkins University - MD 02

    Office of Legacy Management (LM)

    Johns Hopkins University - MD 02 FUSRAP Considered Sites Site: JOHNS HOPKINS UNIVERSITY (MD.02 ) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Baltimore , Maryland MD.02-1 Evaluation Year: 1987 MD.02-2 Site Operations: Conducted spectroscopic studies under contract number AT(49-1)-309. MD.02-1 Site Disposition: Eliminated - Potential for contamination considered remote based on limited quantities of material used in a controlled

  4. ERSUG Meeting: June 25-26, 1996 (Germantown, MD)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ERSUG Meeting: June 25-26, 1996 (Germantown, MD) Dates June 25, 26th, 1996 Location The Hampton Inn Germantown, MD Notes and Action Items ERSUG Action Items from June 1996 meeting at Germantown, MD Get DOE staff on mailers for broadcast of ERSUG issues Responsibility: Kendall and Kitchens Review and comment on ERSUG Proposal to SAC Responsibility: All of ERSUG Comments to Rick Kendall by July 17th email: ra_kendall@pnl.gov Fax : (509) 375-6631 Review and comment on Requirements Document

  5. Cummins MD & HD Accessory Hybridization CRADA -Annual Report FY15

    SciTech Connect (OSTI)

    Deter, Dean D.

    2015-10-01

    There are many areas of MD and HD vehicles that can be improved by new technologies and optimized control strategies. Component optimization and idle reduction need to be addressed, this is best done by a two part approach that includes selecting the best component technology, and/or architecture, and optimized controls that are vehicle focused. While this is a common focus in the light duty industry it has been gaining momentum in the MD and HD market as the market gets more competitive and the regulations become more stringent. When looking into systems optimization and idle reduction technologies, affected vehicle systems must first be considered, and if possible included in the new architecture to get the most benefit out of these new capabilities. Typically, when looking into idle reduction or component optimization for MD/HD, the vehicle s accessories become a prime candidate for electrification or hybridization. While this has already been studied on light duty vehicles (especially on hybrids and electric vehicles) it has not made any head way or market penetration in most MD and HD applications. If hybrids and electric MD and HD vehicles begin to break into the market this would be a necessary step into the ability to make those vehicles successful by allowing for independent, optimized operation separate from the engine.

  6. CoMD Implementation Suite in Emerging Programming Models

    Energy Science and Technology Software Center (OSTI)

    2014-09-23

    CoMD-Em is a software implementation suite of the CoMD [4] proxy app using different emerging programming models. It is intended to analyze the features and capabilities of novel programming models that could help ensure code and performance portability and scalability across heterogeneous platforms while improving programmer productivity. Another goal is to provide the authors and venders with some meaningful feedback regarding the capabilities and limitations of their models. The actual application is a classical molecularmore » dynamics (MD) simulation using either the Lennard-Jones method (LJ) or the embedded atom method (EAM) for primary particle interaction. The code can be extended to support alternate interaction models. The code is expected ro run on a wide class of heterogeneous hardware configurations like shard/distributed/hybrid memory, GPU's and any other platform supported by the underlying programming model.« less

  7. MS/MS Automated Selected Ion Chromatograms

    Energy Science and Technology Software Center (OSTI)

    2005-12-12

    This program can be used to read a LC-MS/MS data file from either a Finnigan ion trap mass spectrometer (.Raw file) or an Agilent Ion Trap mass spectrometer (.MGF and .CDF files) and create a selected ion chromatogram (SIC) for each of the parent ion masses chosen for fragmentation. The largest peak in each SIC is also identified, with reported statistics including peak elution time, height, area, and signal to noise ratio. It creates severalmore » output files, including a base peak intensity (BPI) chromatogram for the survey scan, a BPI for the fragmentation scans, an XML file containing the SIC data for each parent ion, and a "flat file" (ready for import into a database) containing summaries of the SIC data statistics.« less

  8. DOE - Office of Legacy Management -- Bendix Corp Frieze Division - MD 0-01

    Office of Legacy Management (LM)

    Corp Frieze Division - MD 0-01 FUSRAP Considered Sites Site: BENDIX CORP., FRIEZE DIVISION (MD.0-01 ) Eliminated from further consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: Baltimore , Maryland MD.0-01-1 Evaluation Year: 1987 MD.0-01-3 Site Operations: Produced "classified units" believed to be electronics components - no radioactive materials involved. MD.0-01-1 MD.0-01-3 Site Disposition: Eliminated - No radioactive materials handled at this

  9. LA-983%MS

    Office of Legacy Management (LM)

    LA-983%MS p 1);: 3 -: ,,i .' . , , -- .. >: 1.. . bob l,,,o* atlonal t&,oratov is operated by the University of California for the United States Department of Energy under ...

  10. MS Based Metabonomics

    SciTech Connect (OSTI)

    Want, Elizabeth J.; Metz, Thomas O.

    2010-03-01

    Metabonomics is the latest and least mature of the systems biology triad, which also includes genomics and proteomics, and has its origins in the early orthomolecular medicine work pioneered by Linus Pauling and Arthur Robinson. It was defined by Nicholson and colleagues in 1999 as the quantitative measurement of perturbations in the metabolite complement of an integrated biological system in response to internal or external stimuli, and is often used today to describe many non-global types of metabolite analyses. Applications of metabonomics are extensive and include toxicology, nutrition, pharmaceutical research and development, physiological monitoring and disease diagnosis. For example, blood samples from millions of neonates are tested routinely by mass spectrometry (MS) as a diagnostic tool for inborn errors of metabolism. The metabonome encompasses a wide range of structurally diverse metabolites; therefore, no single analytical platform will be sufficient. Specialized sample preparation and detection techniques are required, and advances in NMR and MS technologies have led to enhanced metabonome coverage, which in turn demands improved data analysis approaches. The role of MS in metabonomics is still evolving as instrumentation and software becomes more sophisticated and as researchers realize the strengths and limitations of current technology. MS offers a wide dynamic range, high sensitivity, and reproducible, quantitative analysis. These attributes are essential for addressing the challenges of metabonomics, as the range of metabolite concentrations easily exceeds nine orders of magnitude in biofluids, and the diversity of molecular species ranges from simple amino and organic acids to lipids and complex carbohydrates. Additional challenges arise in generating a comprehensive metabolite profile, downstream data processing and analysis, and structural characterization of important metabolites. A typical workflow of MS-based metabonomics is shown in Figure 1. Gas chromatography-(GC)-MS was the most commonly used MS-based method for small molecule analysis in the 1970s and 1980s. It is still used today for the detection of many metabolic disorders and plays a strong role in plant metabonomics. Liquid chromatography (LC)-MS approaches have grown in popularity for metabolite studies, due to simpler sample preparation, reduced analysis times through the introduction of ultra-high performance liquid chromatography (UPLC)-MS and the ability to observe a wider range of metabolites. This chapter will discuss the role of MS in metabonomics, the techniques involved in this exciting area, and the current and future applications of the field. The various bioinformatics tools and multivariate analysis techniques used to maximize information recovery and to aid in the interpretation of the very large data sets typically obtained in metabonomics studies will also be discussed. While there are many different MS-based approaches utilized in metabonomics studies, emphasis will be placed on more established methods.

  11. IMS - MS Data Extractor

    Energy Science and Technology Software Center (OSTI)

    2015-10-20

    An automated drift time extraction and computed associated collision cross section software tool for small molecule analysis with ion mobility spectrometry-mass spectrometry (IMS-MS). The software automatically extracts drift times and computes associated collision cross sections for small molecules analyzed using ion mobility spectrometry-mass spectrometry (IMS-MS) based on a target list of expected ions provided by the user.

  12. Ms. Maggie Owen, Chair

    Office of Environmental Management (EM)

    Todd Mullins Department of Energy Portsmouth/Paducah Project Office 1017 Majestic Drive, Suite 200 Lexington, Kentucky 40513 (859) 219-4000 NOV 1 4 1014 Federal Facility Agreement Manager Division of Waste Management Kentucky Department for Environmental Protection 200 Fair Oaks Lane, 2 nd Floor Frankfort, Kentucky 40601 Ms. Jennifer Tufts Federal Facility Agreement Manager U.S. Environmental Protection Agency, Region 4 61 Forsyth Street Atlanta, Georgia 30303 Dear Mr. Mullins and Ms. Tufts:

  13. CRAD, NNSA- Maintenance (MN)

    Office of Energy Efficiency and Renewable Energy (EERE)

    CRAD for Maintenance (MN). Criteria Review and Approach Documents (CRADs) that can be used to conduct a well-organized and thorough assessment of elements of safety and health programs.

  14. ICP-MS Workshop

    SciTech Connect (OSTI)

    Carman, April J.; Eiden, Gregory C.

    2014-11-01

    This is a short document that explains the materials that will be transmitted to LLNL and DNN HQ regarding the ICP-MS Workshop held at PNNL June 17-19th. The goal of the information is to pass on to LLNL information regarding the planning and preparations for the Workshop at PNNL in preparation of the SIMS workshop at LLNL.

  15. LA-13859-MS

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    0733-MS UC-15 Issued: June 1986 LA-10733-HS DE86 013070 Equations for Plutonium and Americium-241 Decay Corrections T. E. Sampson J. L Parker DISCLAIMER This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsi- bility for the accuracy, completeness, or usefulness of any

  16. MS, II-J

    Office of Legacy Management (LM)

    I' ; ,' Departm&th of Energy 1 MS, II-J Washington. DC 20585 ' . I I The Honorable John Gallagher ,)fl', /',' ' 103 E. Michigan Avenue .i., ,.' Battle Creek, Michigan 49016 _. Dear Mayor Gallagheri d,---, " '/ approachto openness i.n: with the: public. In (FUSRAP)i.is responsible agencies, determining ~author~ity, performing remedial action to cleanup sites to meet current radiological protection requirements.. A conservative set of technical evaluation guidelines is used in these

  17. Ms. Maria Galanti

    Energy Savers [EERE]

    HAR 2 4 lDII Ohio Environmental Protection Agency Southeast District Office 2195 Front Street Logan, Ohio 43138 Dear Ms. Galanti: PPPO-03-1158259-11 CONSTRUCTION COMPLETION REPORT FOR REMOVAL OF THE X-533 SWITCHYARD COMPLEX AT THE PORTSMOUTH GASEOUS DIFFUSION PLANT, PIKETON, OHIO The Department of Energy is submitting the enclosed Construction Completion Report for Removal of the X-533 Switchyard Complex at the Portsmouth Gaseous Diffusion Plant, Piketon, Ohio (DOEIPPPO/03-0174&D1) to the

  18. RADIATION PRESSURE DETECTION AND DENSITY ESTIMATE FOR 2011 MD

    SciTech Connect (OSTI)

    Micheli, Marco; Tholen, David J.; Elliott, Garrett T. E-mail: tholen@ifa.hawaii.edu

    2014-06-10

    We present our astrometric observations of the small near-Earth object 2011 MD (H ? 28.0), obtained after its very close fly-by to Earth in 2011 June. Our set of observations extends the observational arc to 73days, and, together with the published astrometry obtained around the Earth fly-by, allows a direct detection of the effect of radiation pressure on the object, with a confidence of 5?. The detection can be used to put constraints on the density of the object, pointing to either an unexpectedly low value of ?=(640330)kg m{sup ?3} (68% confidence interval) if we assume a typical probability distribution for the unknown albedo, or to an unusually high reflectivity of its surface. This result may have important implications both in terms of impact hazard from small objects and in light of a possible retrieval of this target.

  19. DOE Zero Energy Ready Home Case Study, Nexus EnergyHomes, Frederick, MD,

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Production | Department of Energy Study, Nexus EnergyHomes, Frederick, MD, Production DOE Zero Energy Ready Home Case Study, Nexus EnergyHomes, Frederick, MD, Production This urban infill community features a package of SIP walls, geothermal heat pumps, solar PV, and a proprietary energy management system. PDF icon Nexus EnergyHomes - Frederick, MD More Documents & Publications Building America Whole-House Solutions for New Homes: Nexus EnergyHomes - Frederick, Maryland DOE Zero Energy

  20. BERAC Meeting, February 21-22, 2013, Rockville, MD | U.S. DOE Office of

    Office of Science (SC) Website

    Science (SC) February 21-22, 2013 BERAC Rockville, MD Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings BERAC Minutes BERAC Minutes Archive Members Charges/Reports Charter .pdf file (135KB) BER Committees of Visitors Federal Advisory Committees BER Home Meetings February 21-22, 2013 BERAC Rockville, MD Print Text Size: A A A FeedbackShare Page BERAC Meeting, February 21-22, 2013, Rockville, MD Agenda .pdf file (10KB) Presentations: Sharlene Weatherwax .pdf

  1. Ms. Susan Leckband, Chair W

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    MAR 1 9 2009 Ms. Susan Leckband, Chair W o r d Advisory Board 713 Jadwin, Suite 4 achland, WA 99352 Dear Ms. Leckband: Thank you for your letter dated December 5,2008, providing...

  2. Is LA-12152-MS

    Office of Scientific and Technical Information (OSTI)

    LA-12152-MS DE91 016813 A Weibull Brittle Material Failure Model for the ABAQUS Computer Program Joel Bennett L ('r^^r5' /A\ n^rnr?i/'7^(^ '-°s Alamos National Laboratory l y j ^ /AAUCSILI LI U i y j ^ LOS Alamos.New Mexico 87545 ^ _ . * i - DISCLAIMER This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency Thereof, nor any of their employees, makes any warranty, express or implied, or assumes

  3. Ms. Margaret Owen, Chair

    Office of Environmental Management (EM)

    November 23,2011 Oak Ridge Site Specific Advisory Board P.O. Box 2001 Oak Ridge, Tennessee 3 7831 Dear Ms. Owen: Thank you for your September 19, 2011, letter recommending that we identify waste that could be transported for disposal by rail instead of highway, and improve communication with local communities impacted by the loading and unloading of the waste from one conveyance to the other. Within the Office of Environmental Management (EM), we routinely look at our transport options when we

  4. MN Office of Energy Security | Open Energy Information

    Open Energy Info (EERE)

    MN Office of Energy Security Jump to: navigation, search Name: MN Office of Energy Security Place: St. Paul, MN Website: www.mnofficeofenergysecurity.c References: MN Office of...

  5. 32nd Tritium Focus Group Meeting, Cloverleaf Building, Germantown MD, April

    Energy Savers [EERE]

    23-25, 2013 | Department of Energy 2nd Tritium Focus Group Meeting, Cloverleaf Building, Germantown MD, April 23-25, 2013 32nd Tritium Focus Group Meeting, Cloverleaf Building, Germantown MD, April 23-25, 2013 32nd Tritium Focus Group Meeting, Cloverleaf Building, Germantown MD, April 23-25, 2013 The Tritium Focus Group (TFG), is a long standing DOE Working Group, whose purpose is to promote cost-effective improvements in tritium safety, handling, transportation, storage, and operations, and

  6. Vehicle Technologies Office Merit Review 2015: Cummins MD & HD Accessory Hybridization CRADA

    Broader source: Energy.gov [DOE]

    Presentation given by Oak Ridge National Laboratory at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about Cummins MD &...

  7. Vehicle Technologies Office Merit Review 2014: Cummins MD & HD Accessory Hybridization CRADA

    Broader source: Energy.gov [DOE]

    Presentation given by Oak Ridge National Laboratory at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about Cummins MD &...

  8. METLIN: MS/MS metabolite data from the MAGGIE Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    METLIN is a metabolite database for metabolomics containing over 50,000 structures, it also represents a data management system designed to assist in a broad array of metabolite research and metabolite identification by providing public access to its repository of current and comprehensive MS/MS metabolite data. An annotated list of known metabolites and their mass, chemical formula, and structure are available on the METLIN website. Each metabolite is conveniently linked to outside resources such as the the Kyoto Encyclopedia of Genes and Genomes (KEGG) for further reference and inquiry. MS/MS data is also available on many of the metabolites. The list is expanding continuously as more metabolite information is being deposited and discovered. [from http://metlin.scripps.edu/] Metlin is a component of the MAGGIE Project. MAGGIE is funded by the DOE Genomics: GTL and is an acronym for "Molecular Assemblies, Genes, and Genomics Integrated Efficiently."

  9. Category:Minneapolis, MN | Open Energy Information

    Open Energy Info (EERE)

    16 total. SVFullServiceRestaurant Minneapolis MN Northern States Power Co (Minnesota) Excel Energy.png SVFullServiceRestauran... 89 KB SVHospital Minneapolis MN Northern States...

  10. Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Nigeria

    U.S. Energy Information Administration (EIA) Indexed Site

    (Million Cubic Feet) Nigeria (Million Cubic Feet) Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Nigeria (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2011 2,362 2013 2,590 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016 Referring Pages: U.S. Liquefied Natural Gas Imports by Point of Entry Cove Point, MD LNG Imports from

  11. DOE/EH-0467 Interview with Dr. John W. Gofman, M.D., Ph.D.

    Office of Scientific and Technical Information (OSTI)

    DOE/EH-0467 Interview with Dr. John W. Gofman, M.D., Ph.D. Ju n e 1995 Setting: D ecem ber 20,1994, University of Califomia, San Francisco Interviewers; Karoline Gourley (DOE Office of Human Radiation Experiments) and Loretta Hefner (LBL) ORAL fflSTORY OF DR. JOHN W, GOFMAN, M.D., Ph.D. Conducted on December 20, 1994 in San Francisco, California, by Loretta Hefner, archivist for the Lawrence Berkeley Laboratory, and Karoline Gourley, a re- searcher for the Office o f Human Radiation Experiments,

  12. Computation of shear viscosity of colloidal suspensions by SRD-MD

    SciTech Connect (OSTI)

    Laganapan, A. M. K.; Videcoq, A. Bienia, M.; Ala-Nissila, T.; Bochicchio, D.; Ferrando, R.

    2015-04-14

    The behaviour of sheared colloidal suspensions with full hydrodynamic interactions (HIs) is numerically studied. To this end, we use the hybrid stochastic rotation dynamics-molecular dynamics (SRD-MD) method. The shear viscosity of colloidal suspensions is computed for different volume fractions, both for dilute and concentrated cases. We verify that HIs help in the collisions and the streaming of colloidal particles, thereby increasing the overall shear viscosity of the suspension. Our results show a good agreement with known experimental, theoretical, and numerical studies. This work demonstrates the ability of SRD-MD to successfully simulate transport coefficients that require correct modelling of HIs.

  13. LA-5097-MS INFORMAL REPORT

    Office of Legacy Management (LM)

    5097-MS INFORMAL REPORT lamos lamos scientific laboratory scientific laboratory of the University of California of the University of California LOS ALAMOS. NEW MEXICO 87544 LOS ALAMOS. NEW MEXICO 87544 Los AIamos Land Areas Environmental Radiation Survey 1972 . In the interest of prompt distribution, this LAMS re port was not edited by the Technical Information staff. Printed in the United States of America. Available from National Technical Information Service U. S. Department of Commerce 5285

  14. Ms. Maria Galanti Site Coordinator

    Energy Savers [EERE]

    DEC 23 ZDto PPPO-03-1088949-11 Ohio Environmental Protection Agency 2195 Front Street Logan, Ohio 43138 Dear Ms. Galanti: REVISED CONSTRUCTION COMPLETION REPORT FOR PHASE I OF THE REMOVAL OF THE X-633 RECIRCULATING COOLING WATER COMPLEX AT THE PORTSMOUTH GASEOUS DIFFUSION PLANT, PIKETON, OHIO AND RESPONSES TO COMMENTS The Department of Energy is SUbmitting the enclosed revised Construction Completion Report for Phase I of the Removal of the X-633 ReCirculating Cooling Water Complex at the

  15. Ms. Maria Galanti Site Coordinator

    Energy Savers [EERE]

    3 0 2015 Ohio Environmental Protection Agency Southeast District Office 2195 Front Street Logan, Ohio 43138 Dear Ms. Galanti: PPP0-03-3065331-15 FINAL RECORD OF DECISION FOR THE PROCESS BUILDINGS AND COMPLEX FACILITIES DECONTAMINATION AND DECOMMISSIONING EVALUATION PROJECT AT THE PORTSMOUTH GASEOUS DIFFUSION PLANT, PIKETON, OHIO (DOE/PPP0/03-0425&Dl) References: 1. Letter from W. Murphie to M. Galanti, "Record of Decision for the Process Buildings and Complex Facilities Decontamination

  16. MD 715

    National Nuclear Security Administration (NNSA)

  17. Category:Jackson, MS | Open Energy Information

    Open Energy Info (EERE)

    Jackson, MS Jump to: navigation, search Go Back to PV Economics By Location Media in category "Jackson, MS" The following 16 files are in this category, out of 16 total....

  18. Ms. Maria Galanti Site Coordinator

    Energy Savers [EERE]

    ? 5 2011 PPPO-03-1251788-11 Ohio Environmental Protection Agency Southeast District Office 2195 Front Street Logan, Ohio 43138 Dear Ms. Galanti: TRANSMITTAL OF Dl CONSTRUCTION COMPLETION REPORT FOR PHASES I AND II OF THE REMOVAL OF THE X-760 CHEMICAL ENGINEERING BUILDING AT THE PORTSMOUTH GASEOUS DIFFUSION PLANT, PIKETON, OHIO (DOE/PPPO/03-0196&Dl) Reference: Letter from M. Galanti to J. Bradbume, "Construction Completion Report for Phases I and II ofthe Removal of the X-760 Chemical

  19. Determination of Delta m(d) and absolute calibration of flavor taggers for the Delta m(s) analysis, in fully reconstructed decays at the CDF experiment

    SciTech Connect (OSTI)

    Gomez, Jonatan Piedra

    2005-07-01

    The new trigger processor, the Silicon Vertex Tracking (SVT), has dramatically improved the B physics capabilities of the upgraded CDF II Detector; for the first time in a hadron collider, the SVT has enabled the access to non-lepton-triggered B meson decays. Within the new available range of decay modes, the B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +} signature is of paramount importance in the measurement of the {Delta}m{sub s} mixing frequency. The analysis reported here is a step towards the measurement of this frequency; two where our goals: carrying out the absolute calibration of the opposite side flavor taggers, used in the {Delta}m{sub s} measurement; and measuring the B{sub d}{sup 0} mixing frequency in a B {yields} D{pi} sample, establishing the feasibility of the mixing measurement in this sample whose decay-length is strongly biased by the selective SVT trigger. We analyze a total integrated luminosity of 355 pb{sup -1} collected with the CDF II Detector. By triggering on muons, using the conventional di-muon trigger; or displaced tracks, using the SVT trigger, we gather a sample rich in bottom and charm mesons.

  20. Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Norway

    U.S. Energy Information Administration (EIA) Indexed Site

    (Million Cubic Feet) Norway (Million Cubic Feet) Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Norway (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2011 2,909 5,810 2,900 2014 2,621 2,995 2015 3,097 3,105 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016 Referring Pages: U.S. Liquefied Natural Gas Imports by Point of Entry

  1. Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Trinidad and

    U.S. Energy Information Administration (EIA) Indexed Site

    Tobago (Million Cubic Feet) Trinidad and Tobago (Million Cubic Feet) Cove Point, MD Natural Gas Liquefied Natural Gas Imports from Trinidad and Tobago (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2012 2,790 2013 2,776 2014 2,984 2,986 2015 2,844 3,045 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016 Referring Pages: U.S. Liquefied

  2. Cove Point, MD Natural Gas Liquefied Natural Gas Total Imports (Million

    U.S. Energy Information Administration (EIA) Indexed Site

    Cubic Feet) Total Imports (Million Cubic Feet) Cove Point, MD Natural Gas Liquefied Natural Gas Total Imports (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2014 2,984 2,621 5,981 2015 2,844 3,045 3,097 3,105 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016 Referring Pages: U.S. Liquefied Natural Gas Imports by Point of Entry Cove Point,

  3. Price of Cove Point, MD Natural Gas LNG Imports from Algeria (Dollars per

    U.S. Energy Information Administration (EIA) Indexed Site

    Thousand Cubic Feet) Algeria (Dollars per Thousand Cubic Feet) Price of Cove Point, MD Natural Gas LNG Imports from Algeria (Dollars per Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's NA 2000's NA NA NA 4.79 6.32 8.38 8.48 7.50 -- -- 2010's -- - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016 Referring Pages:

  4. Price of Cove Point, MD Natural Gas LNG Imports from Egypt (Nominal Dollars

    U.S. Energy Information Administration (EIA) Indexed Site

    per Thousand Cubic Feet) Egypt (Nominal Dollars per Thousand Cubic Feet) Price of Cove Point, MD Natural Gas LNG Imports from Egypt (Nominal Dollars per Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 2000's -- 11.66 7.83 7.22 7.46 4.20 2010's 5.49 -- -- -- -- - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016

  5. NATIONAL HARBOR, Md.,May 21, 2013-Los Alamos National Laboratory Director

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    director echoes cyber concerns May 21, 2013 Securing the grid will be key for energy security going forward NATIONAL HARBOR, Md.,May 21, 2013-Los Alamos National Laboratory Director Charlie McMillan told a gathering of energy executives today that securing the electrical grid is a major concern now and it's only becoming more serious. "If you look back at the last year, there were several hundred attacks on critical infrastructure," McMillan said, addressing attendees at the Deloitte

  6. DEPARTMENT OF HEALTH AN~~.N~dtAN, MD. Y.P.H.

    Office of Legacy Management (LM)

    ,' ,...- -., -.- . . we#lnty..: - DEPARTMENT OF HEALTH AN~~.N~dtAN, MD. Y.P.H. April 30, 1979 . _-- _' . U.S.E.P.A. Radiation Branch 26 Federal Plaz;a, Boom 9079 New York, N. Y. 10007 Attention: Miss Feldman:, Gentlemen: In accordance with your request to Calvin E. Weber, P.E., Assistant Commissioner of Health for Environmental Quality, I am forwarding a copy of a report prepared by him concerning a radiation survey conducted in the vicinity of the former Canadian Radium and Uranium Corpora+on

  7. ARM - Campaign Instrument - pyran-eko-ms-801

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    eko-ms-801 Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Campaign Instrument : Pyranometer-eko-ms-801 (PYRAN-EKO-MS-801

  8. SSL Demonstration: Bridge Lighting, Minneapolis, MN

    SciTech Connect (OSTI)

    2014-10-01

    DOE Solid-State Lighting GATEWAY summary brief for Phase II report on the longer-term performance of LED lighting installed in 2008 on the I-35W Bridge in Minneapolis, MN.

  9. High Mn austenitic stainless steel

    DOE Patents [OSTI]

    Yamamoto, Yukinori [Oak Ridge, TN; Santella, Michael L [Knoxville, TN; Brady, Michael P [Oak Ridge, TN; Maziasz, Philip J [Oak Ridge, TN; Liu, Chain-tsuan [Knoxville, TN

    2010-07-13

    An austenitic stainless steel alloy includes, in weight percent: >4 to 15 Mn; 8 to 15 Ni; 14 to 16 Cr; 2.4 to 3 Al; 0.4 to 1 total of at least one of Nb and Ta; 0.05 to 0.2 C; 0.01 to 0.02 B; no more than 0.3 of combined Ti+V; up to 3 Mo; up to 3 Co; up to 1W; up to 3 Cu; up to 1 Si; up to 0.05 P; up to 1 total of at least one of Y, La, Ce, Hf, and Zr; less than 0.05 N; and base Fe, wherein the weight percent Fe is greater than the weight percent Ni, and wherein the alloy forms an external continuous scale including alumina, nanometer scale sized particles distributed throughout the microstructure, the particles including at least one of NbC and TaC, and a stable essentially single phase FCC austenitic matrix microstructure that is essentially delta-ferrite-free and essentially BCC-phase-free.

  10. LC-IMS-MS Feature Finder

    SciTech Connect (OSTI)

    2013-03-07

    LC-IMS-MS Feature Finder is a command line software application which searches for possible molecular ion signatures in multidimensional liquid chromatography, ion mobility spectrometry, and mass spectrometry data by clustering deisotoped peaks with similar monoisotopic mass values, charge states, elution times, and drift times. The software application includes an algorithm for detecting multiple conformations and co-eluting species in the ion mobility dimension. LC-IMS-MS Feature Finder is designed to create an output file with detected features that includes associated information about the detected features.

  11. ARM - Campaign Instrument - ptr-ms

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    govInstrumentsptr-ms Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Campaign Instrument : Proton Transfer Reaction Mass Spectrometer (PTR-MS) Instrument Categories Aerosols Campaigns 2006 MAX-Mex-Megacity Aerosol eXperiment - Mexico City [ Download Data ] Off Site Campaign : various, including non-ARM sites, 2006.03.03 - 2006.03.28 Carbonaceous Aerosol and Radiation Effects Study (CARES) - Surface Meteorological Sounding [ Download Data ] Off

  12. LC-IMS-MS Feature Finder

    Energy Science and Technology Software Center (OSTI)

    2013-03-07

    LC-IMS-MS Feature Finder is a command line software application which searches for possible molecular ion signatures in multidimensional liquid chromatography, ion mobility spectrometry, and mass spectrometry data by clustering deisotoped peaks with similar monoisotopic mass values, charge states, elution times, and drift times. The software application includes an algorithm for detecting multiple conformations and co-eluting species in the ion mobility dimension. LC-IMS-MS Feature Finder is designed to create an output file with detected features thatmore » includes associated information about the detected features.« less

  13. Local environment of Mn in Mn delta-doped Si layers

    SciTech Connect (OSTI)

    Xiao, Q.F.; Kahwaji, S.; Monchesky, T.L.; Gordon, R.A.; Crozier, E.D.

    2009-11-09

    Dilute magnetic semiconductors combine both magnetic ordering and semiconducting behaviour, leading to potential spintronic applications. Silicon containing dilute Mn impurities is a potential dilute magnetic semiconductor. We have grown Mn delta-doped films by deposition of 0.7 of a monolayer of Mn on Si(001) by molecular beam epitaxy and capping the film with Si. The magnetic properties are likely sensitive to the distribution of Mn on substitutional or interstitial sites and the formation of metallic precipitates. We have used polarization-dependent XAFS to examine the local structure. We compare to a thicker MnSi film grown on Si(111) and also examine the influence of lead on the manganese environment when used as a surfactant in the growth process.

  14. Structural, magnetic, and superconducting properties of pulsed-laser-deposition-grown La<mn>1.85mn> Sr<mn>0.15mn> CuO<mn>4mn> / La<mn>2mn>/>3mn> Ca<mn>1mn>/>3mn> MnO>3mn> superlattices on (001)-oriented LaSrAlO<mn>4mn> substrates

    SciTech Connect (OSTI)

    Das, S.; Sen, K.; Marozau, I.; Uribe-Laverde, M. A.; Biskup, N.; Varela, M.; Khaydukov, Y.; Soltwedel, O.; Keller, T.; Döbeli, M.; Schneider, C. W.; Bernhard, C.

    2014-03-12

    Epitaxial La<mn>1.85mn> Sr<mn>0.15mn> CuO<mn>4mn> / La<mn>2mn>/>3mn> Ca<mn>1mn>/>3mn> MnO>3mn> (LSCO/LCMO) superlattices (SL) on (001)- oriented LaSrAlO4 substrates have been grown with pulsed laser deposition (PLD) technique. Their structural, magnetic and superconducting properties have been determined with in-situ reflection high energy electron diffraction (RHEED), x-ray diffraction, specular neutron reflectometry, scanning transmission electron microscopy (STEM), electric transport, and magnetization measurements. We find that despite the large mismatch between the in-plane lattice parameters of LSCO (a = 0.3779 nm) and LCMO (a = 0.387 nm) these superlattices can be grown epitaxially and with a high crystalline quality. While the first LSCO layer remains clamped to the LSAO substrate, a sizeable strain relaxation occurs already in the first LCMO layer. The following LSCO and LCMO layers adopt a nearly balanced state in which the tensile and compressive strain effects yield alternating in-plane lattice parameters with an almost constant average value. No major defects are observed in the LSCO layers, while a significant number of vertical antiphase boundaries are found in the LCMO layers. The LSCO layers remain superconducting with a relatively high superconducting onset temperature of Tconset ≈ 36 K. The macroscopic superconducting response is also evident in the magnetization data due to a weak diamagnetic signal below 10 K for H ∥ ab and a sizeable paramagnetic shift for H ∥ c that can be explained in terms of a vortex-pinning-induced flux compression. The LCMO layers maintain a strongly ferromagnetic state with a Curie temperature of TCurie ≈ 190 K and a large low-temperature saturation moment of about 3.5 (1) μB. These results suggest that the LSCO/LCMO superlattices can be used to study the interaction between the antagonistic ferromagnetic and superconducting orders and, in combination with previous studies on YBCO/LCMO superlattices, may allow one to identify the relevant mechanisms.

  15. Properties of (Ga,Mn)As codoped with Li

    SciTech Connect (OSTI)

    Miyakozawa, Shohei; Chen, Lin; Matsukura, Fumihiro; Ohno, Hideo

    2014-06-02

    We grow Li codoped (Ga,Mn)As layers with nominal Mn composition up to 0.15 by molecular beam epitaxy. The layers before and after annealing are characterized by x-ray diffraction, transport, magnetization, and ferromagnetic resonance measurements. The codoping with Li reduces the lattice constant and electrical resistivity of (Ga,Mn)As after annealing. We find that (Ga,Mn)As:Li takes similar Curie temperature to that of (Ga,Mn)As, but with pronounced magnetic moments and in-plane magnetic anisotropy, indicating that the Li codoping has nontrivial effects on the magnetic properties of (Ga,Mn)As.

  16. Origin State>> CA ID ID ID IL KY MD NM NM NY NY OH SC TN TN

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    MD NM NM NY NY OH SC TN TN TN, WA, CA TN TN TN TN TX Total Shipments by Route Lawrence Livermore National Laboratory Advanced Mixed Waste Treatment Project Batelle Energy Alliance Idaho National Laboratory Argonne National Laboratory Paducah Gaseous Diffusion Plant Aberdeen Proving Ground Los Alamos National Laboratory Sandia National Laboratory Brookhaven National Laboratory West Valley Environmental Services Portsmouth Gaseous Diffusion Plant Savannah River Site Duratek/Energy Solutions Babcox

  17. Kinetic energy deficit in the symmetric fission of /sup 259/Md. [Light particle emission in /sup 256/Fm fission

    SciTech Connect (OSTI)

    Hulet, E.K.; Wild, J.F.; Lougheed, R.W.; Baisden, P.A.; Dougan, R.J.; Mustafa, M.G.

    1980-10-01

    The fragment energies of about 725 coincidence events have now been observed in the spontaneous fission (SF) decay of 105-min /sup 259/Md since its discovery in 1977. The fission of /sup 259/Md is characterized by a symmetric mass distribution, similar to those of /sup 258/Fm and /sup 259/Fm, but with a broad total kinetic energy (anti TKE) distribution which peaks at about 195 MeV, in contrast to those of /sup 258/Fm and /sup 259/Fm, for which the anti TKE is about 240 MeV. This kinetic energy deficit, approx. 40 MeV, has been postulated to be due to the emission of hydrogen-like particles by /sup 259/Md at the scission point in a large fraction of the fissions, leaving the residual fissioning nucleus with 100 protons. The residual nucleus would then be able to divide into two ultrastable tin-like fission fragments, but with less kinetic energy than that observed in the SF of /sup 258/Fm and /sup 259/Fm, because of binding-energy losses and a reduction in the Coulomb repulsion of the major fragments. To test this hypothesis, counter-telescope experiments aimed at detecting and identifying these light particles were performed. In 439 SF events 3 + 3 protons of the appropriate energy were observed, too few to account for the kinetic energy deficit in the fission of /sup 259/Md. There seems to be no explanation for this problem within the framework of current fission theory. These results are discussed along with preliminary measurements of light-particle emission in the SF of /sup 256/Fm. 5 figures.

  18. Hai Wang, Z. Hua, W. Lua, M.D. Thouless - Department of Mechanical Engineering, and Department of Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hai Wang, Z. Hua, W. Lua, M.D. Thouless - Department of Mechanical Engineering, and Department of Materials Science and Engineering, University of Michigan One of the fundamental challenges of multi-scale modeling is the integration of atomistic-scale effects to continuum scale calculations. For example, the analysis of creep deformation requires continuum-level finite-element calculations to compute local stresses and temperatures which are then used in atomistic models to determine local atom

  19. Spin reorientation and Ce-Mn coupling in antiferromagnetic oxypnictide CeMnAsO

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Qiang; Tian, Wei; Peterson, Spencer G.; Dennis, Kevin W.; Vaknin, David

    2015-02-18

    Structure and magnetic properties of high-quality polycrystlline CeMnAsO, a parent compound of the “1111”-type oxypnictides, have been investigated using neutron powder diffraction and magnetization measurements. We find that CeMnAsO undergoes a C-type antiferromagnetic order with Mn2+(S = 5/2) moments pointing along the c axis below a relatively high Néel temperature of TN = 347(1) K. Below TSR = 35 K, two simultaneous transitions occur where the Mn moments reorient from the c axis to the ab plane preserving the C-type magnetic order, and Ce moments undergo long-range AFM ordering with antiparallel moments pointing in the ab plane. Another transition tomore » a noncollinear magnetic structure occurs below 7 K. The ordered moments of Mn and Ce at 2 K are 3.32(4) μB and 0.81(4)μB, respectively. We find that CeMnAsO primarily falls into the category of a local-moment antiferromagnetic insulator in which the nearest-neighbor interaction (J1) is dominant with J2 < J1/2 in the context of J1 – J2 – Jc model. The spin reorientation transition driven by the coupling between Ce and the transition metal seems to be common to Mn, Fe, and Cr ions, but not to Co and Ni ions in the isostructural oxypnictides. As a result, a schematic illustration of magnetic structures in Mn and Ce sublattices in CeMnAsO is presented.« less

  20. Magnetoelectric coupling tuned by competing anisotropies in Mn...

    Office of Scientific and Technical Information (OSTI)

    Magnetoelectric coupling tuned by competing anisotropies in Mn 1 - x Ni x TiO 3 Prev Next Title: Magnetoelectric coupling tuned by competing anisotropies in Mn 1 - x Ni x TiO ...

  1. Magnetostructural phase transformations in Tb 1-x Mn 2 (Journal...

    Office of Scientific and Technical Information (OSTI)

    Magnetostructural phase transformations in Tb 1-x Mn 2 Citation Details In-Document Search Title: Magnetostructural phase transformations in Tb 1-x Mn 2 You are accessing a ...

  2. LA-11873-MS The Forster, Dexter, and

    Office of Scientific and Technical Information (OSTI)

    LA-11873-MS The Forster, Dexter, and Inokuti-Hirayama Models of the Time Dependence of Fluorescence Amplitude: An Annotated Bibliography \)\) DISTRIBUTION OF THIS DOCUMENT IS UNLIM ITED Los Alamos National Laboratory is operated by the University of California for the United States Department of Energy under contract W-7405-ENG-36. DISCLAIMER This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency

  3. Dynamics of a globular protein and its hydration water studied by neutron scattering and MD simulations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chen, Sow-Hsin; Lagi, Marco; Chu, Xiang-qiang; Zhang, Yang; Kim, Chansoo; Faraone, Antonio; Fratini, Emiliano; Baglioni, Piero

    2010-01-01

    This review article describes our neutron scattering experiments made in the past four years for the understanding of the single-particle (hydrogen atom) dynamics of a protein and its hydration water and the strong coupling between them. We found that the key to this strong coupling is the existence of a fragile-to-strong dynamic crossover (FSC) phenomenon occurring at around T L = 225±5 K in the hydration water. On lowering of the temperature toward FSC, the structure of hydration water makes a transition from predominantly the high density form (HDL), a more fluid state, to predominantly the low density formmore » (LDL), a less fluid state, derived from the existence of a liquid–liquid critical point at an elevated pressure. We show experimentally that this sudden switch in the mobility of hydration water on Lysozyme, B-DNA and RNA triggers the dynamic transition, at a temperature T D = 220 K, for these biopolymers. In the glassy state, below T D , the biopolymers lose their vital conformational flexibility resulting in a substantial diminishing of their biological functions. We also performed molecular dynamics (MD) simulations on a realistic model of hydrated lysozyme powder, which confirms the existence of the FSC and the hydration level dependence of the FSC temperature. Furthermore, we show a striking feature in the short time relaxation ( β -relaxation) of protein dynamics, which is the logarithmic decay spanning 3 decades (from ps to ns). The long time α -relaxation shows instead a diffusive behavior, which supports the liquid-like motions of protein constituents. We then discuss our recent high-resolution X-ray inelastic scattering studies of globular proteins, Lysozyme and Bovine Serum Albumin. We were able to measure the dispersion relations of collective, intra-protein phonon-like excitations in these proteins for the first time. We found that the phonon energies show a marked softening and at the same time their population increases substantially in a certain wave vector range when temperature crosses over the T D . Thus the increase of biological activities above T D has positive correlation with activation of slower and large amplitude collective motions of a protein.« less

  4. CaMn2Al10: Itinerant Mn magnetism on the verge of magnetic order

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Steinke, L.; Simonson, J. W.; Yin, W. -G.; Smith, G. J.; Kistner-Morris, J. J.; Zellman, S.; Puri, A.; Aronson, M. C.

    2015-07-24

    We report the discovery of CaMn2Al10, a metal with strong magnetic anisotropy and moderate electronic correlations. Magnetization measurements find a Curie-Weiss moment of 0.83μB/Mn, significantly reduced from the Hund's rule value, and the magnetic entropy obtained from specific heat measurements is correspondingly small, only ≈ 9% of Rln2. These results imply that the Mn magnetism is highly itinerant, a conclusion supported by density functional theory calculations that find strong Mn-Al hybridization. Consistent with the layered nature of the crystal structure, the magnetic susceptibility χ is anisotropic below 20 K, with a maximum ratio of χ[010]/χ[001] ≈ 3.5. A strong power-lawmore » divergence χ(T) ~ T–1.2 below 20 K implies incipient ferromagnetic order, an Arrott plot analysis of the magnetization suggests a vanishing low Curie temperature TC ~ 0. Our experiments indicate that CaMn2Al10 is a rare example of a system where the weak and itinerant Mn-based magnetism is poised on the verge of order.« less

  5. Influence of interstitial Mn on magnetism in room-temperature ferromagnet Mn(1+delta)Sb

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Taylor, Alice E; Berlijn, Tom; Hahn, Steven E; May, Andrew F; Williams, Travis J; Poudel, Lekhanath N; Calder, Stuart A; Fishman, Randy Scott; Stone, Matthew B; Aczel, Adam A; et al

    2015-01-01

    We report elastic and inelastic neutron scattering measurements of the high-TC ferromagnet Mn(1+delta)Sb. Measurements were performed on a large, TC = 434 K, single crystal with interstitial Mn content of delta=0.13. The neutron diffraction results reveal that the interstitial Mn has a magnetic moment, and that it is aligned antiparallel to the main Mn moment. We perform density functional theory calculations including the interstitial Mn, and find the interstitial to be magnetic in agreement with the diffraction data. The inelastic neutron scattering measurements reveal two features in the magnetic dynamics: i) a spin-wave-like dispersion emanating from ferromagnetic Bragg positions (Hmore » K 2n), and ii) a broad, non-dispersive signal centered at forbidden Bragg positions (H K 2n+1). The inelastic spectrum cannot be modeled by simple linear spin-wave theory calculations, and appears to be significantly altered by the presence of the interstitial Mn ions. The results show that the influence of the int« less

  6. Influence of interstitial Mn on magnetism in room-temperature ferromagnet Mn(1+delta)Sb

    SciTech Connect (OSTI)

    Taylor, Alice E; Berlijn, Tom; Hahn, Steven E; May, Andrew F; Williams, Travis J; Poudel, Lekhanath N; Calder, Stuart A; Fishman, Randy Scott; Stone, Matthew B; Aczel, Adam A; Cao, Huibo; Lumsden, Mark D; Christianson, Andrew D

    2015-01-01

    We report elastic and inelastic neutron scattering measurements of the high-TC ferromagnet Mn(1+delta)Sb. Measurements were performed on a large, TC = 434 K, single crystal with interstitial Mn content of delta=0.13. The neutron diffraction results reveal that the interstitial Mn has a magnetic moment, and that it is aligned antiparallel to the main Mn moment. We perform density functional theory calculations including the interstitial Mn, and find the interstitial to be magnetic in agreement with the diffraction data. The inelastic neutron scattering measurements reveal two features in the magnetic dynamics: i) a spin-wave-like dispersion emanating from ferromagnetic Bragg positions (H K 2n), and ii) a broad, non-dispersive signal centered at forbidden Bragg positions (H K 2n+1). The inelastic spectrum cannot be modeled by simple linear spin-wave theory calculations, and appears to be significantly altered by the presence of the interstitial Mn ions. The results show that the influence of the int

  7. Opti-MN Impact House Presentation | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Opti-MN Impact House Presentation Opti-MN Impact House Presentation Opti-MN was the Grand Winner of the 2015 Race to Zero Student Design Competition. View the presentation for the Opti-MN Impact House below. Read a full list of the winning teams. PDF icon Opti-MN Presentation More Documents & Publications 2015 Race to Zero Competition Grand Winner and Grand Winner Finalist Team Submissions 2016 Race to Zero Competition Winner Team Presentations 2014 Race to Zero Student Design Competition:

  8. Ms. Judy Clayton, Chair Paducah Citizens Advisory Board EHI Consultant...

    Office of Environmental Management (EM)

    0 Ms. Judy Clayton, Chair Paducah Citizens Advisory Board EHI Consultants, Inc. 1 1 1 Memorial Drive Paducah, Kentucky 4200 1 Dear Ms. Clayton: Thank you for your recent letter...

  9. Bioenergia Brasil S A MS | Open Energy Information

    Open Energy Info (EERE)

    Brasil S A MS Jump to: navigation, search Name: Bioenergia Brasil SA (MS) Place: Mato Grosso do Sul, Brazil Product: Company developing a 100m litre per year ethanol plant in Mato...

  10. LA--12O48-MS DE91

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    -12O48-MS DE91 010299 I ~ I i Tm Thou.mwl Yews of Solitude? 0)1 llzfuhwh!lll Illfrlwiml i)ffo fhc Wmtefsolfltiwl Pilot Project Rqwsitory GrL~gor!/B L')/fo)"(i* Craig W. Kirhood** HmwjOfwf7y Marfit~/. Pmquak!!i+ ~~~~n~~~~L..Al...s.Me. M.xico 87541 L A N L % D I O T D I U E Table of Contents Preface . . . . . . . . . . . . . . . . . . . . . . . . . . .. .. .. .. .. .. .. D O . . . . . . . . . . . ...ooOO.OO..OOOOO"OO".OO """"."" 'ti 1. Introduction . .

  11. Unexpected crystal and magnetic structures in MnCu4In and MnCu4Sn (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect SciTech Connect Search Results Journal Article: Unexpected crystal and magnetic structures in MnCu4In and MnCu4Sn Citation Details In-Document Search Title: Unexpected crystal and magnetic structures in MnCu4In and MnCu4Sn We discovered a new compound MnCu4In with its own hexagonal structure type (hP12-P63mc, ternary ordered derivative of the hexagonal MgZn2-type) that becomes ferromagnetic at TC = 540 K. This transition temperature is higher than that found in the

  12. Neutron and Nuclear Science To/MS: Distribution From/MS: Stephen Wender/H855

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    memorandum Neutron and Nuclear Science To/MS: Distribution From/MS: Stephen Wender/H855 Phone/Fax: 7-1344/5-3705 E-mail: wender@lanl.gov Symbol: LANSCE-NS-14-02 Date: February 4, 2014 Subject: AUTHORIZATIONS AND ASSIGNMENTS I. LANSCE-NS Additional Duty Assignments ALARA Coordinator Ron Nelson Crane Coordinator Gregg Chaparro Facility Coordinator Steve Wender Electrical Safety Officer William Waganaar ES&H Officer Steve Wender Forklift Coordinator Tim Medina Lockout/Tagout Coordinator Ron

  13. Unexpected crystal and magnetic structures in MnCu4In and MnCu4Sn

    SciTech Connect (OSTI)

    Provino, A.; Paudyal, D.; Fornasini, ML; Dhiman, I.; Dhar, SK.; Das, A.; Mudryk, Y.; Manfrinetti, P.; Pecharsky, VK

    2013-01-29

    We discovered a new compound MnCu4In with its own hexagonal structure type (hP12-P63mc, ternary ordered derivative of the hexagonal MgZn2-type) that becomes ferromagnetic at TC = 540 K. This transition temperature is higher than that found in the MnCu2In and MnCu2Sn alloys. In contrast, the homologous compound MnCu4Sn, which crystallizes in the cubic MgCu4Sn-type, orders antiferromagnetically with TN = 110 K. The neutron diffraction studies show ferromagnetic spin orientation in the {1 0 1} plane in MnCu4In with a magnetic moment of 4.5 ?B/Mn at 22 K, and a corresponding value of 4.7 ?B/Mn in the antiferromagnetic MnCu4Sn with propagation vector View the MathML source. The first-principles electronic structure calculations show that the unexpected difference in both magnetic and crystal structures of MnCu4In and MnCu4Sn is due to the difference in the Mn-3d bands and exchange interactions relating to different crystal anisotropy, coordination numbers, and interatomic distances.

  14. Solid Solution Phases in the Olivine-Type LiMnPO4/MnPO4 System

    SciTech Connect (OSTI)

    Chen, Guoying; Richardson, Thomas J.

    2009-04-07

    Nonstoichiometry is reported in the LiMnPO{sub 4}/MnPO{sub 4} system for the first time. As lithium is removed from crystalline LiMnPO{sub 4} by chemical or electrochemical methods, the resulting two phase mixture consists of stoichiometric LiMnPO{sub 4} and a delithiated phase, Li{sub y}MnPO{sub 4}, whose lattice parameters depend upon the global extent of delithiation and on the crystalline domain size of the delithiated phase. This behavior is reproduced during electrochemical insertion of lithium. Again, no evidence for nonstoichiometry was found in the vicinity of LiMnPO{sub 4}. Attempts to create single phase solid solutions by heating mixtures of the two phases failed due to the thermal instability of Li{sub y}MnPO{sub 4}.

  15. ICP-MS Data Analysis Software

    Energy Science and Technology Software Center (OSTI)

    1999-01-14

    VG2Xl - this program reads binary data files generated by VG instrumentals inductively coupled plasma-mass spectrometers using PlasmaQuad Software Version 4.2.1 and 4.2.2 running under IBM OS/2. ICPCalc - this module is a macro for Microsoft Excel written in VBA (Virtual Basic for Applications) that performs data analysis for ICP-MS data required for nuclear materials that cannot readily be done with the vendor''s software. VG2GRAMS - This program reads binary data files generated by VGmore » instruments inductively coupled plasma mass spectrometers using PlasmaQuad software versions 4.2.1 and 4.2.2 running under IBM OS/2.« less

  16. Magnetic properties of CeFe11-xCoxTi with ThMn12 structure

    SciTech Connect (OSTI)

    Zhou, C; Pinkerton, FE; Herbst, JF

    2014-05-07

    A series of novel alloys CeFe11-xCoxTi (0 <= x <= 11) with ThMn12 structure has been successfully prepared by melt-spinning. The Curie temperature T-c increases with Co content x, reaching a maximum of 689 degrees C at x = 9 and declining to 664 degrees C at complete Co filling (x = 11). The room temperature saturation magnetization 4 pi M-s and magnetocrystalline anisotropy H-a have been estimated by fitting the first quadrant demagnetization curve with the Stoner-Wohlfarth model. 4 pi M-s first increases with increasing Co up to x = 3, then decrease. H-a has a complex dependence on Co content, which is indicative of a change in the easy magnetization direction from axis to plane and back as the Co content increases. (C) 2014 AIP Publishing LLC.

  17. Investigations of element spatial correlation in Mn-promoted...

    Office of Scientific and Technical Information (OSTI)

    Investigations of element spatial correlation in Mn-promoted Co-based Fischer-Tropsch synthesis catalysts This content will become publicly available on June 4, 2017 Title: ...

  18. LDRD Final Report (08-ERD-037): Important Modes to Drive Protein MD Simulations to the Next Conformational Level

    SciTech Connect (OSTI)

    Sadigh, B

    2011-04-07

    Every action in biology is performed by dynamic proteins that convert between multiple states in order to engage their functions. Often binding to various ligands is essential for the rates of desired transitions to be enhanced. The goal of computational biology is to study these transitions and discover the different states to fully understand the protein's normal and diseased function, design drugs to target/bias specific states, and understand all of the interactions in between. We have developed a new methodology that is capable of calculating the absolute free energy of proteins while taking into account all the interactions with the solvent molecules. The efficiency of the new scheme is an order of magnitude greater than any existing technique. This method is now implemented in the massively parallel popular MD program package NAMD. This now makes it possible to calculate the relative stability of different conformational states of biological macromolecules as well as their binding free energies to various ligands.

  19. Spin caloritronics in graphene with Mn

    SciTech Connect (OSTI)

    Torres, Alberto Lima, Matheus P. Fazzio, A.; Silva, Antnio J. R. da

    2014-02-17

    We show that graphene with Mn adatoms trapped at single vacancies features spin-dependent Seebeck effect, thus enabling the use of this material for spin caloritronics. A gate potential can be used to tune its thermoelectric properties in a way it presents either a total spin polarized current, flowing in one given direction, or currents for both spins flowing in opposite directions without net charge transport. Moreover, we show that the thermal magnetoresistance can be tuned between ?100% and +100% by varying a gate potential.

  20. Municipal Energy Agency of MS | Open Energy Information

    Open Energy Info (EERE)

    Name: Municipal Energy Agency of MS Place: Mississippi Phone Number: (601) 362-2252 Facebook: https:www.facebook.compagesMunicipal-Energy-Agency-of-Mississippi Outage...

  1. Magnetic Moment Enhancement for Mn7 Cluster on Graphene

    SciTech Connect (OSTI)

    Liu, Xiaojie; Wang, Cai-Zhuang; Lin, Hai-Qing; Ho, Kai-Ming

    2014-08-21

    Mn7 cluster on graphene with different structural motifs and magnetic orders are investigated systematically by first-principles calculations. The calculations show that Mn7 on graphene prefers a two-layer motif and exhibits a ferrimagnetic coupling. The magnetic moment of the Mn7 cluster increases from 5.0 ?B at its free-standing state to about 6.0 ?B upon adsorption on graphene. Mn7 cluster also induces about 0.3 ?B of magnetic moment in the graphene layer, leading to an overall enhancement of 1.3 ?B magnetic moment for Mn7 on graphene. Detail electron transfer and bonding analysis have been carried out to investigate the origin of the magnetic enhancement.

  2. Analysis of natural gases, AL, AR, FL, GA, IL, IN, IA, KY, LA, MD, MI, MS, MO, NJ, NY, NC, OH, PA, TN, VA, and WV; 1951-1991 (for microcomputers). Data file

    SciTech Connect (OSTI)

    Not Available

    1991-01-01

    The U.S. Bureau of Mines diskette contains analysis and related source data for 2,357 natural gas samples collected from miscellaneous states, which include the following states: Alabama, Arkansas (except Arkoma Basin), Florida, Georgia, Illinois, Indiana, Iowa, Kentucky, Louisiana, Maryland, Michigan, Mississippi, Missouri, New Jersey, New York, North Carolina, Ohio, Pennsylvania, Tennessee, Virginia, and West Virginia. All samples were obtained and analyzed as part of the Bureau's investigations of occurrences of helium in natural gases of countries with free market economies. The survey has been conducted since 1917. The analysis contained on the diskette contain the full range of component analysis data. Five files are on the diskette: READ.ME, MISC.TXT, MISC.DBF, USHEANAL.DBF, and BASINCDE.TXT.

  3. The structure and IR signatures of the arginine-glutamate salt bridge. Insights from the classical MD simulations

    SciTech Connect (OSTI)

    Vener, M. V.; Odinokov, A. V.; Wehmeyer, C.; Sebastiani, D.

    2015-06-07

    Salt bridges and ionic interactions play an important role in protein stability, protein-protein interactions, and protein folding. Here, we provide the classical MD simulations of the structure and IR signatures of the arginine (Arg)glutamate (Glu) salt bridge. The Arg-Glu model is based on the infinite polyalanine antiparallel two-stranded ?-sheet structure. The 1 ?s NPT simulations show that it preferably exists as a salt bridge (a contact ion pair). Bidentate (the end-on and side-on structures) and monodentate (the backside structure) configurations are localized [Donald et al., Proteins 79, 898915 (2011)]. These structures are stabilized by the short {sup +}NH?O{sup ?} bonds. Their relative stability depends on a force field used in the MD simulations. The side-on structure is the most stable in terms of the OPLS-AA force field. If AMBER ff99SB-ILDN is used, the backside structure is the most stable. Compared with experimental data, simulations using the OPLS all-atom (OPLS-AA) force field describe the stability of the salt bridge structures quite realistically. It decreases in the following order: side-on > end-on > backside. The most stable side-on structure lives several nanoseconds. The less stable backside structure exists a few tenth of a nanosecond. Several short-living species (solvent shared, completely separately solvated ionic groups ion pairs, etc.) are also localized. Their lifetime is a few tens of picoseconds or less. Conformational flexibility of amino acids forming the salt bridge is investigated. The spectral signature of the Arg-Glu salt bridge is the IR-intensive band around 2200 cm{sup ?1}. It is caused by the asymmetric stretching vibrations of the {sup +}NH?O{sup ?} fragment. Result of the present paper suggests that infrared spectroscopy in the 20002800 frequency region may be a rapid and quantitative method for the study of salt bridges in peptides and ionic interactions between proteins. This region is usually not considered in spectroscopic studies of peptides and proteins.

  4. MD simulations of phase stability of PuGa alloys: Effects of primary radiation defects and helium bubbles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dremov, V. V.; Sapozhnikov, F. A.; Ionov, G. V.; Karavaev, A. V.; Vorobyova, M. A.; Chung, B. W.

    2013-05-14

    We present classical molecular dynamics (MD) with Modified Embedded Atom Model (MEAM) simulations to investigate the role of primary radiation defects and radiogenic helium as factors affecting the phase stability of PuGa alloys in cooling–heating cycles at ambient pressure. The models of PuGa alloys equilibrated at ambient conditions were subjected to cooling–heating cycles in which they were initially cooled down to 100 K and then heated up to 500 K at ambient pressure. The rate of temperature change in the cycles was 10 K/ns. The simulations showed that the initial FCC phase of PuGa alloys undergo polymorphous transition in coolingmore » to a lower symmetry α'-phase. All the alloys undergo direct and reverse polymorphous transitions in the cooling–heating cycles. The alloys containing vacancies shift in both transitions to lower temperatures relative to the defect-free alloys. The radiogenic helium has much less effect on the phase stability compared to that of primary radiation defects (in spite of the fact that helium concentration is twice of that for the primary radiation defects). Lastly, this computational result agrees with experimental data on unconventional stabilization mechanism of PuGa alloys.« less

  5. Inverse spin Hall effect in Pt/(Ga,Mn)As

    SciTech Connect (OSTI)

    Nakayama, H.; Chen, L.; Chang, H. W.; Ohno, H.; Matsukura, F.

    2015-06-01

    We investigate dc voltages under ferromagnetic resonance in a Pt/(Ga,Mn)As bilayer structure. A part of the observed dc voltage is shown to originate from the inverse spin Hall effect. The sign of the inverse spin Hall voltage is the same as that in Py/Pt bilayer structure, even though the stacking order of ferromagnetic and nonmagnetic layers is opposite to each other. The spin mixing conductance at the Pt/(Ga,Mn)As interface is determined to be of the order of 10{sup 19 }m{sup −2}, which is about ten times greater than that of (Ga,Mn)As/p-GaAs.

  6. Commander, Naval Base ATTN: Ms. Cheryl Barnett Building N-26

    Office of Legacy Management (LM)

    Building N-26 Code N 9 E Norfolk, Virginia 23511-6002 Dear Ms. Barnett: I enjoyed speaking with you on the phone. The Department of Energy (DOE) has established its Formerly...

  7. Training Session: Frederick, MD

    Broader source: Energy.gov [DOE]

    This 3.5-hour training provides builders with a comprehensive review of zero net-energy-ready home construction including the business case, detailed specifications, and opportunities to be...

  8. Reduction of VOC emissions from metal dip coating applications -- Canam Steel Corporation Point of Rocks, MD case study

    SciTech Connect (OSTI)

    Monfet, J.P.

    1997-12-31

    The reduction of VOC emissions from metal dip coating applications is not an environmental constraint, it is an economic opportunity. This case study shows how the industry can reap economic benefits from VOC reductions while improving air quality. The Canam Steel Corporation plant located in Point of Rocks, MD operates dip tanks for primer application on fabricated steel joists and joist girders. This process is presently subject to a regulation that limits the paint VOC content to 3.5 pounds per gallon of coating less water. As a result of the high paint viscosity associated with that regulation, the paint thickness of the dipped steel is thicker than the customers` specifications. Most of the VOC emissions can therefore be associated with the excess of paint applied to the products rather than to the required thickness of the coating. The higher paint usage rate has more than environmental consequences, it increases the cost of the applied coating. The project is to reduce the paint usage by controlling the viscosity of the coating in the tank. Experimental results as well as actual mass balance calculations show that using a higher VOC content paint would reduce the overall VOC emissions. The author explained the project to the Maryland Department of the Environment (MDE) Air and Radiation Management Administration. First, the MDE agreed to develop a new RACT determination for fabricated steel dipping operations. The new regulation would limit the amount of VOC than can be emitted to dip coat a ton of fabricated steel. Second, the MDE agreed to allow experimentation of the higher VOC content paint as a pilot project for the new regulation. This paper demonstrates the need for a RACT determination specific to fabricated steel dipping operations.

  9. CaMn2Al10: Itinerant Mn magnetism on the verge of magnetic order

    SciTech Connect (OSTI)

    Steinke, L.; Simonson, J. W.; Yin, W. -G.; Smith, G. J.; Kistner-Morris, J. J.; Zellman, S.; Puri, A.; Aronson, M. C.

    2015-07-24

    We report the discovery of CaMn2Al10, a metal with strong magnetic anisotropy and moderate electronic correlations. Magnetization measurements find a Curie-Weiss moment of 0.83μB/Mn, significantly reduced from the Hund's rule value, and the magnetic entropy obtained from specific heat measurements is correspondingly small, only ≈ 9% of Rln2. These results imply that the Mn magnetism is highly itinerant, a conclusion supported by density functional theory calculations that find strong Mn-Al hybridization. Consistent with the layered nature of the crystal structure, the magnetic susceptibility χ is anisotropic below 20 K, with a maximum ratio of χ[010][001] ≈ 3.5. A strong power-law divergence χ(T) ~ T–1.2 below 20 K implies incipient ferromagnetic order, an Arrott plot analysis of the magnetization suggests a vanishing low Curie temperature TC ~ 0. Our experiments indicate that CaMn2Al10 is a rare example of a system where the weak and itinerant Mn-based magnetism is poised on the verge of order.

  10. Strong enhancement of s -wave superconductivity near a quantum critical point of Ca<mn>3mn>Ir>4mn>Sn>13mn>

    SciTech Connect (OSTI)

    Biswas, P. K.; Guguchia, Z.; Khasanov, R.; Chinotti, M.; Li, L.; Wang, Kefeng; Petrovic, C.; Morenzoni, E.

    2015-11-11

    We report microscopic studies by muon spin rotation/relaxation as a function of pressure of the Ca<mn>3mn>Ir>4mn>Sn>13mn> and Sr3Ir4Sn13 system displaying superconductivity and a structural phase transition associated with the formation of a charge density wave (CDW). Our findings show a strong enhancement of the superfluid density and a dramatic increase of the pairing strength above a pressure of ≈ 1.6 GPa giving direct evidence of the presence of a quantum critical point separating a superconducting phase coexisting with CDW from a pure superconducting phase. The superconducting order parameter in both phases has the same s-wave symmetry. In spite of the conventional phonon-mediated BCS character of the weakly correlated (Ca1-xSrx)3Ir4Sn13 system the dependence of the effective superfluid density on the critical temperature puts this compound in the “Uemura” plot close to unconventional superconductors. This system exemplifies that conventional BCS superconductors in the presence of competing orders or multi-band structure can also display characteristics of unconventional superconductors.

  11. This is a paper model of the MS2 virus

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    a paper model of the MS2 virus. MS2 is a nanoscale virus that lives in the human gut. It is benign and doesn't interfere with us. A virus, it attaches to a host cell that it identifies using protein markers on its exterior. Once attached, it injects its RNA genetic material into the cell. This material then co-opts the cell's metabolism to produce copies of the virus, which the cell releases back into the organism's tissues. Researchers have found that this mechanism has potential as a treatment

  12. CONCURRENC RTG. SYMBOL GC-34 Ms. Mary Beth Brado

    Office of Legacy Management (LM)

    MAY 2 9 1980 CONCURRENC RTG. SYMBOL GC-34 Ms. Mary Beth Brado "*N'W Town of Lewiston * i..,! 1375 Ridge Road ^r'8 Lewiston, New York 14092 RTG.SYuBOL Dear Ms. Brado: .- ,l13. INirIA Lss iQ. W'Mott This is in response to your letter of January 29, 1980, and subsequent ..... ,. telephone discussions with irr. Brazley of my office, concerning land use 5/ /8 restrictions on the 1,511 acres declared surplus in the Towns of Lewiston RGSYMOL. and Porter, New York. In regard to your question of

  13. Functional MnMg{sub k} cation complexes in GaN featured by Raman spectroscopy

    SciTech Connect (OSTI)

    Devillers, T. Bonanni, A.; Leite, D. M. G.; Department of Physics, So Paulo State University, BauruSP ; Dias da Silva, J. H.

    2013-11-18

    The evolution of the optical branch in the Raman spectra of (Ga,Mn)N:Mg epitaxial layers as a function of the Mn and Mg concentrations, reveals the interplay between the two dopants. We demonstrate that the various Mn-Mg-induced vibrational modes can be understood in the picture of functional MnMg{sub k} complexes formed when substitutional Mn cations are bound to k substitutional Mg through nitrogen atoms, the number of ligands k being driven by the ratio between the Mg and the Mn concentrations.

  14. Mn-Fe base and Mn-Cr-Fe base austenitic alloys

    DOE Patents [OSTI]

    Brager, Howard R.; Garner, Francis A.

    1987-01-01

    Manganese-iron base and manganese-chromium-iron base austenitic alloys designed to have resistance to neutron irradiation induced swelling and low activation have the following compositions (in weight percent): 20 to 40 Mn; up to about 15 Cr; about 0.4 to about 3.0 Si; an austenite stabilizing element selected from C and N, alone or in combination with each other, and in an amount effective to substantially stabilize the austenite phase, but less than about 0.7 C, and less than about 0.3 N; up to about 2.5 V; up to about 0.1 P; up to about 0.01 B; up to about 3.0 Al; up to about 0.5 Ni; up to about 2.0 W; up to about 1.0 Ti; up to about 1.0 Ta; and with the remainder of the alloy being essentially iron.

  15. Synthesis, characterization and electrochemical performance of Al-substituted Li₂MnO₃

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dhital, Chetan; Huq, Ashfia; Paranthaman, Mariappan Parans; Manivannan, Ayyakkannu; Torres-Castro, Loraine; Shojan, Jifi; Julien, Christian M.; Katiyar, Ram S.

    2015-08-08

    Li2MnO3 is known to be electrochemically inactive due to Mn in tetravalent oxidation state. Several compositions such as Li2MnO3 , Li1.5Al0.17MnO3, Li1.0Al0.33MnO3 and Li0.5Al0.5MnO3 were synthesized by a sol–gel Pechini method. All the samples were characterized with x-ray diffraction, Raman, x-ray photoelectron spectroscopy, scanning electron microscopy, Tap density and BET analyzer. X-ray diffraction patterns indicated the presence of monoclinic phase for pristine Li2MnO3and mixed monoclinic/spinel phases (Li2 - xMn1 - yAlx + yO3 + z) for Al-substituted Li2MnO3compounds. The Al substitution seems to occur both at Li and Mn sites, which could explain the presence of spinel phase. X-ray photoelectronmore » spectroscopy for Mn 2p orbital reveals a significant decrease in binding energy for Li1.0Al0.33MnO3 and Li0.5Al0.5MnO3 compounds. Cyclic voltammetry, charge/discharge cycles and electrochemical impedance spectroscopy were also performed. A discharge capacity of 24 mAh g-1 for Li2MnO3, 68 mAh g-1 for Li1.5Al0.17MnO3, 58 mAh g-1 for Li1.0Al0.33MnO3 and 74 mAh g-1 for Li0.5Al0.5MnO3 were obtained. As a result, aluminum substitutions increased the formation of spinel phase which is responsible for cycling.« less

  16. Structure and magnetic properties of LnMnSbO ( Ln=La and Ce)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Qiang; Kumar, C. M. N.; Tian, Wei; Dennis, Kevin W.; Goldman, Alan I.; Vaknin, David

    2016-03-11

    Here, a neutron powder diffraction (NPD) study of LnMnSbO (Ln = La or Ce) reveals differences between the magnetic ground state of the two compounds due to the strong Ce-Mn coupling compared to La-Mn. The two compounds adopt the P4/nmm space group down to 2 K, and whereas magnetization measurements do not show obvious anomaly at high temperatures, NPD reveals a C-type antiferromagnetic (AFM) order below TN = 255K for LaMnSbO and 240 K for CeMnSbO. While the magnetic structure of LaMnSbO is preserved to base temperature, a sharp transition at TSR = 4.5K is observed in CeMnSbO due tomore » a spin-reorientation (SR) transition of the Mn2+ magnetic moments from pointing along the c axis to the ab plane. The SR transition in CeMnSbO is accompanied by a simultaneous long-range AFM ordering of the Ce moments, which indicates that the Mn SR transition is driven by the Ce-Mn coupling. The ordered moments are found to be somewhat smaller than those expected for Mn2+ (S = 5/2) in insulators, but large enough to suggest that these compounds belong to the class of local-moment antiferromagnets. The lower TN found in these two compounds compared to the As-based counterparts (TN = 317 for LaMnAsO, TN = 347K for CeMnAsO) indicates that the Mn-Pn (Pn=As or Sb) hybridization that mediates the superexchange Mn-Pn-Mn coupling is weaker for the Sb-based compounds.« less

  17. Resonant spin tunneling in randomly oriented nanospheres of Mn?? acetate

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lendinez, S.; Billinge, S. J. L.; Zarzuela, R.; Tejada, J.; Terban, M. W.; Espin, J.; Imaz, I.; Maspoch, D.; Chudnovsky, E. M.

    2015-01-06

    We report measurements and theoretical analysis of resonant spin tunneling in randomly oriented nanospheres of a molecular magnet. Amorphous nanospheres of Mn?? acetate have been fabricated and characterized by chemical, infrared, TEM, X-ray, and magnetic methods. Magnetic measurements have revealed sharp tunneling peaks in the field derivative of the magnetization that occur at the typical resonant field values for the Mn?? acetate crystal in the field parallel to the easy axis.Theoretical analysis is provided that explains these observations. We argue that resonant spin tunneling in a molecular magnet can be established in a powder sample, without the need for amoresingle crystal and without aligning the easy magnetization axes of the molecules. This is confirmed by re-analyzing the old data on a powdered sample of non-oriented micron-size crystals of Mn?? acetate. Our findings can greatly simplify the selection of candidates for quantum spin tunneling among newly synthesized molecular magnets.less

  18. Climate Action Champions: Minneapolis, MN | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Minneapolis, MN Climate Action Champions: Minneapolis, MN The City of Minneapolis, or the “City of Lakes”, lies on both banks of the Mississippi River in Minnesota. Once the flour milling capital of the world, the larger of the Twin Cities is now a thriving Midwestern economic hub. │ Photo courtesy of Meet Minneapolis. The City of Minneapolis, or the "City of Lakes", lies on both banks of the Mississippi River in Minnesota. Once the flour milling capital of the world,

  19. U.S. Energy Information Administration | Annual Energy Outlook...

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    OH 1. NE 3. S1 4. S2 5. GF 6. OH 7. EN AL,MS MN,ND,SD IA,NE,MO,KS TX,LA,OK,AR MT,WY,ID CO,UT,NV AZ,NM 9. AM 11. C2 12. WS 13. MT 14. CU 15. ZN WV,MD,DC,DE 2. YP...

  20. Microsoft Word - figure_03.doc

    U.S. Energy Information Administration (EIA) Indexed Site

    IN OH TN WV VA KY MD PA NY VT NH MA CT ME RI DE DC NC SC GA FL NJ AL MS LA MO AR TX NM OK CO KS UT AZ WY NE IL IA MN WI ND SD ID MT WA OR NV CA HI AK MI Gulf of Mexico Volume

  1. When worlds collide - Mac to MS-DOS. [Data transfer to and from Apple Macintosh computers and MS-DOS based personal computers

    SciTech Connect (OSTI)

    Busbey, A.B.

    1989-04-01

    A number of methods and products, both hardware and software, to allow data exchange between Apple Macintosh computers and MS-DOS based systems. These included serial null modem connections, MS-DOS hardware and/or software emulation, MS-DOS disk-reading hardware and networking.

  2. Coexistence of charge-density wave and ferromagnetism in Ni2MnGa...

    Office of Scientific and Technical Information (OSTI)

    Coexistence of charge-density wave and ferromagnetism in Ni2MnGa Citation Details In-Document Search Title: Coexistence of charge-density wave and ferromagnetism in Ni2MnGa ...

  3. High spin polarization in CoFeMnGe equiatomic quaternary Heusler...

    Office of Scientific and Technical Information (OSTI)

    Title: High spin polarization in CoFeMnGe equiatomic quaternary Heusler alloy We report the structure, magnetic property, and spin polarization of CoFeMnGe equiatomic...

  4. Stress induced anisotropy in CoFeMn soft magnetic nanocomposites...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Stress induced anisotropy in CoFeMn soft magnetic nanocomposites Citation Details In-Document Search Title: Stress induced anisotropy in CoFeMn soft magnetic ...

  5. Pulsed laser deposition of Mn doped CdSe quantum dots for improved solar cell performance

    SciTech Connect (OSTI)

    Dai, Qilin; Wang, Wenyong E-mail: jtang2@uwyo.edu; Tang, Jinke E-mail: jtang2@uwyo.edu; Sabio, Erwin M.

    2014-05-05

    In this work, we demonstrate (1) a facile method to prepare Mn doped CdSe quantum dots (QDs) on Zn{sub 2}SnO{sub 4} photoanodes by pulsed laser deposition and (2) improved device performance of quantum dot sensitized solar cells of the Mn doped QDs (CdSe:Mn) compared to the undoped QDs (CdSe). The band diagram of photoanode Zn{sub 2}SnO{sub 4} and sensitizer CdSe:Mn QD is proposed based on the incident-photon-to-electron conversion efficiency (IPCE) data. Mn-modified band structure leads to absorption at longer wavelengths than the undoped CdSe QDs, which is due to the exchange splitting of the CdSe:Mn conduction band by the Mn dopant. Three-fold increase in the IPCE efficiency has also been observed for the Mn doped samples.

  6. Mixing antiferromagnets to tune NiFe-[IrMn/FeMn] interfacial spin-glasses, grains thermal stability, and related exchange bias properties

    SciTech Connect (OSTI)

    Akmaldinov, K.; Ducruet, C.; Portemont, C.; Joumard, I.; Prejbeanu, I. L.; Dieny, B.; Baltz, V.

    2014-05-07

    Spintronics devices and in particular thermally assisted magnetic random access memories require a wide range of ferromagnetic/antiferromagnetic (F/AF) exchange bias (EB) properties and subsequently of AF materials to fulfil diverse functionality requirements for the reference and storage. For the reference layer, large EB energies and high blocking temperature (T{sub B}) are required. In contrast, for the storage layer, mostly moderate T{sub B} are needed. One of the present issues is to find a storage layer with properties intermediate between those of IrMn and FeMn and in particular: (i) with a T{sub B} larger than FeMn for better stability at rest-T but lower than IrMn to reduce power consumption at write-T and (ii) with improved magnetic interfacial quality, i.e., with reduced interfacial glassy character for lower properties dispersions. To address this issue, the EB properties of F/AF based stacks were studied for various mixed [IrMn/FeMn] AFs. In addition to EB loop shifts, the F/AF magnetic interfacial qualities and the AF grains thermal stability are probed via measurements of the low- and high-temperature contributions to the T{sub B} distributions, respectively. A tuning of the above three parameters is observed when evolving from IrMn to FeMn via [IrMn/FeMn] repetitions.

  7. Epitaxial growth of intermetallic MnPt films on oxides and large exchange bias

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Liu, Zhiqi; Biegalski, Michael D.; Hsu, Shang-Lin; Shang, Shunli; Marker, Cassie; Liu, Jian; Li, Li; Fan, Lisha S.; Meyer, Tricia L.; Wong, Anthony T.; et al

    2015-11-05

    High-quality epitaxial growth of intermetallic MnPt films on oxides is achieved, with potential for multiferroic heterostructure applications. Antisite-stabilized spin-flipping induces ferromagnetism in MnPt films, although it is robustly antiferromagnetic in bulk. Thus, highly ordered antiferromagnetic MnPt films exhibit superiorly large exchange coupling with a ferromagnetic layer.

  8. Cationic disorder and Mn{sup 3+}/Mn{sup 4+} charge ordering in the B? and B? sites of Ca{sub 3}Mn{sub 2}NbO{sub 9} perovskite: a comparison with Ca{sub 3}Mn{sub 2}WO{sub 9}

    SciTech Connect (OSTI)

    Lpez, C.A.; Saleta, M.E.; Pedregosa, J.C.; Snchez, R.D.; Alonso, J.A.; and others

    2014-02-15

    We describe the preparation, crystal structure determination, magnetic and transport properties of two novel Mn-containing perovskites, with a different electronic configuration for Mn atoms located in B site. Ca{sub 3}Mn{sup 3+}{sub 2}WO{sub 9} and Ca{sub 3}Mn{sup 3+/4+}{sub 2}NbO{sub 9} were synthesized by standard ceramic procedures; the crystallographic structure was studied from X-ray powder diffraction (XRPD) and neutron powder diffraction (NPD). Both phases exhibit a monoclinic symmetry (S.G.: P2{sub 1}/n); Ca{sub 3}Mn{sub 2}WO{sub 9} presents a long-range ordering over the B sites, whereas Ca{sub 3}Mn{sub 2}NbO{sub 9} is strongly disordered. By in-situ NPD, the temperature evolution of the structure study presents an interesting evolution in the octahedral size (?MnO?) for Ca{sub 3}Mn{sub 2}NbO{sub 9}, driven by a charge ordering effect between Mn{sup 3+} and Mn{sup 4+} atoms, related to the anomaly observed in the transport measurements at T?160 K. Both materials present a magnetic order below T{sub C}=30 K and 40 K for W and Nb materials, respectively. The magneto-transport measurements display non-negligible magnetoresistance properties in the paramagnetic regime. - Graphical abstract: Comparison between the octahedron size and the magnetic behaviour for Ca{sub 3}Mn{sub 2}NbO{sub 9} in the temperature region where the charge and magnetic order occur. Display Omitted - Highlights: Two novel Mn-containing double perovskites were obtained by solid-state reactions. Both double perovskites are monoclinic (P2{sub 1}/n) determined by XRPD and NPD. Ca{sub 3}Mn{sub 2}WO{sub 9} contains Mn{sup 3+} while Ca{sub 3}Mn{sub 2}NbO{sub 9} includes mixed-valence cations Mn{sup 3+}/Mn{sup 4+}. Ca{sub 3}Mn{sub 2}NbO{sub 9} presents a charge-ordering effect between Mn{sup 3+} and Mn{sup 4+} evidenced by NPD. The magnetic and transport studies evidenced the charge ordering in Ca{sub 3}Mn{sub 2}NbO{sub 9}.

  9. Clarification of enhanced ferromagnetism in Be-codoped InMnP fabricated using Mn/InP:Be bilayers grown by molecular beam epitaxy

    SciTech Connect (OSTI)

    Shon, Yoon; Lee, Sejoon; Taek Yoon, Im; Jeon, H. C.; Lee, D. J.; Kang, T. W.; Song, J. D.; Yoon, Chong S.; Kim, D. Y.; Park, C. S.

    2011-11-07

    The p-type InMnP:Be epilayers were prepared by the sequential growth of Mn/InP:Be bilayers using molecular-beam-epitaxy and the subsequent in-situ annealing at 200-300 deg. C. In triple-axis x-ray diffraction patterns, the samples revealed a shoulder peak indicative of intrinsic InMnP. The ferromagnetic transition in InMnP:Be was observed to occur at the elevated temperature of {approx}140 K, and the ferromagnetic spin-domains clearly appeared in magnetic force microscopy images. The improved ferromagnetic properties are attributed to the increased p-d hybridation due to high p-type conductivity of InMnP:Be (p {approx} 10{sup 20 }cm{sup -3}). The results suggest that enhanced ferromagnetism can be effectively obtained from Be-codoped InMnP.

  10. Magnetic properties of α−MnO{sub 2} and Co-doped α−MnO{sub 2} nanowires

    SciTech Connect (OSTI)

    Stella, C. Soundararajan, N. Ramachandran, K.

    2014-04-24

    α−MnO{sub 2} and Co-doped α−MnO{sub 2} nanowires (NWs) were synthesized by hydrothermal method. The structural characterization by XRD revealed the tetragonal structure of α−MnO{sub 2}. The formation of one dimensional (1D) NWs of pure and Co-doped α−MnO{sub 2} was confirmed from SEM. From UV-Vis absorption spectra, it is found that both pure and Co-doped α−MnO{sub 2} NWs showed blue shift compared to bulk, which revealed the quantum confinement in the synthesized samples. The magnetic properties were analyzed by VSM, which suggest that pure and doped α−MnO{sub 2} exhibit ferromagnetic behavior at room temperature (RT)

  11. PNM Resources 2401 Aztec NE, MS-Z100

    Energy Savers [EERE]

    PNM Resources 2401 Aztec NE, MS-Z100 Albuquerque, NM 87107 505-241-2025 Fax 505 241-2384 PNMResources.com October 29, 2013 Mr. Christopher Lawrence Office of Electricity Delivery and Energy Reliability (OE-20) U.S. Department of Energy 1000 Independence Avenue, SW Washington, DC 20585 Submitted electronically via email to: Christopher.Lawrence@hq.doe.gov Dear Mr. Lawrence: Subject: Department of Energy (DOE)- Improving Performance of Federal Permitting and Review of Infrastructure Projects,

  12. Ms. Julie Smith Office of Electricity Delivery and Energy Reliability

    Energy Savers [EERE]

    5, 2013 Ms. Julie Smith Office of Electricity Delivery and Energy Reliability Mail Code OE-20 U.S. Department of Energy 1000 Independence Avenue Washington, D.C. 20585 Juliea.smith@hq.doe.gov; Christopher.lawrence@hq.doe.gov Re: DOE RFI "Improving Performance of Federal Permitting and Review of Infrastructure Projects The American people support increased production and consumption of renewable energy according to credible public opinion polls. Too often the most appropriate sites for wind,

  13. Method for factor analysis of GC/MS data

    DOE Patents [OSTI]

    Van Benthem, Mark H; Kotula, Paul G; Keenan, Michael R

    2012-09-11

    The method of the present invention provides a fast, robust, and automated multivariate statistical analysis of gas chromatography/mass spectroscopy (GC/MS) data sets. The method can involve systematic elimination of undesired, saturated peak masses to yield data that follow a linear, additive model. The cleaned data can then be subjected to a combination of PCA and orthogonal factor rotation followed by refinement with MCR-ALS to yield highly interpretable results.

  14. Role of t{sub 2g} electrons in Mn-Tb coupling of multiferroic TbMnO{sub 3}

    SciTech Connect (OSTI)

    Guo, Y. Y.; Wang, Y. L.; Liu, J.-M.; Wei, T.

    2014-08-14

    We investigate the effect of Cr-doping in polycrystalline TbMn{sub 1?x}Cr{sub x}O{sub 3} (x???6%) ceramics on the magnetism, ferroelectricity, and dielectricity. The Cr substitution gradually suppresses the ferroelectricity induced by the Mn spiral spin ordering, and results in a stronger modulation of polarization by magnetic field with increasing x. However, the transition temperature T{sub Tb} corresponding to onset of Tb magnetic ordering has barely shifted with Cr doping. In other words, although the Cr-doping obviously disrupts the Mn spiral spin ordering, the exchange field J{sub Mn-Tb} acting on the Tb moments from the Mn-spin structure is hardly impacted. Our work demonstrates that the e{sub g} electron of Mn{sup 3+} plays an important role in forming the Mn spiral spin order, but the f-d exchange interaction between the Mn 3d spins and the Tb 4f moments in multiferroic TbMnO{sub 3} almost involves only the t{sub 2g} electrons.

  15. Effect of Mn substitution on the transport properties of co-sputtered Fe{sub 3−x}Mn{sub x}Si epilayers

    SciTech Connect (OSTI)

    Tang, M.; Jin, C.; Bai, H. L.

    2014-11-07

    Motivated by the theoretical calculations that Fe{sub 3−x}Mn{sub x}Si can simultaneously exhibit a high spin polarization with a high Curie temperature to be applied in spintronic devices, and in order to further study the effect of Mn contents on the physical properties of Fe{sub 3−x}Mn{sub x}Si, we have investigated the effect of Mn substitution on the transport properties of epitaxial Fe{sub 3−x}Mn{sub x}Si (0≤x≤1) films systematically. The Fe{sub 3−x}Mn{sub x}Si films were epitaxially grown on MgO(001) plane with 45° rotation. The magnetization for various x shows enhanced irreversibility, implying the antiferromagnetic ordering induced by the substitution of Mn. A metal-semiconductor crossover was observed due to the enhanced disorders of interactions and the local lowering of symmetry induced by the substitution of Mn. The single-domain state in the Fe{sub 3−x}Mn{sub x}Si films leads to twofold symmetric curves of the anisotropic magnetoresistance and planar Hall resistivity.

  16. Plutonium Oxidation and Subsequent Reduction by Mn (IV) Minerals

    SciTech Connect (OSTI)

    KAPLAN, DANIEL

    2005-09-13

    Plutonium sorbed to rock tuff was preferentially associated with manganese oxides. On tuff and synthetic pyrolusite (Mn{sup IV}O{sub 2}), Pu(IV) or Pu(V) was initially oxidized, but over time Pu(IV) became the predominant oxidation state of sorbed Pu. Reduction of Pu(V/VI), even on non-oxidizing surfaces, is proposed to result from a lower Gibbs free energy of the hydrolyzed Pu(IV) surface species versus that of the Pu(V) or Pu(VI) surface species. This work suggests that despite initial oxidation of sorbed Pu by oxidizing surfaces to more soluble forms, the less mobile form of Pu, Pu(IV), will dominate Pu solid phase speciation during long term geologic storage. The safe design of a radioactive waste or spent nuclear fuel geologic repository requires a risk assessment of radionuclides that may potentially be released into the surrounding environment. Geochemical knowledge of the radionuclide and the surrounding environment is required for predicting subsurface fate and transport. Although difficult even in simple systems, this task grows increasingly complicated for constituents, like Pu, that exhibit complex environmental chemistries. The environmental behavior of Pu can be influenced by complexation, precipitation, adsorption, colloid formation, and oxidation/reduction (redox) reactions (1-3). To predict the environmental mobility of Pu, the most important of these factors is Pu oxidation state. This is because Pu(IV) is generally 2 to 3 orders of magnitude less mobile than Pu(V) in most environments (4). Further complicating matters, Pu commonly exists simultaneously in several oxidation states (5, 6). Choppin (7) reported Pu may exist as Pu(IV), Pu(V), or Pu(VI) oxic natural groundwaters. It is generally accepted that plutonium associated with suspended particulate matter is predominantly Pu(IV) (8-10), whereas Pu in the aqueous phase is predominantly Pu(V) (2, 11-13). The influence of the character of Mn-containing minerals expected to be found in subsurface repository environments on Pu oxidation state distributions has been the subject of much recent research. Kenney-Kennicutt and Morse (14), Duff et al. (15), and Morgenstern and Choppin (16) observed oxidation of Pu facilitated by Mn(IV)-bearing minerals. Conversely, Shaughnessy et al. (17) used X-ray Absorption near-edge spectroscopy (XANES) to show reduction of Pu(VI) by hausmannite (Mn{sup II}Mn{sub 2}{sup III}O{sub 4}) and manganite ({gamma}-Mn{sup III}OOH) and Kersting et al., (18) observed reduction of Pu(VI) by pyrolusite (Mn{sup IV}O{sub 2}). In this paper, we attempt to reconcile the apparently conflicting datasets by showing that Mn-bearing minerals can indeed oxidize Pu, however, if the oxidized species remains on the solid phase, the oxidation step competes with the formation of Pu(IV) that becomes the predominant solid phase Pu species with time. The experimental approach we took was to conduct longer term (approximately two years later) oxidation state analyses on the Pu sorbed to Yucca Mountain tuff (initial analysis reported by Duff et al., (15)) and measure the time-dependant changes in the oxidation state distribution of Pu in the presence of the Mn mineral pyrolusite.

  17. Effect of Composition and Heat Treatment on MnBi Magnetic Materials

    SciTech Connect (OSTI)

    Cui, Jun; Choi, Jung-Pyung; Polikarpov, Evgueni; Bowden, Mark E.; Xie, Wei; Li, Guosheng; Nie, Zimin; Zarkevich, Nikolai; Kramer, Matthew J.; Johnson, Duane D.

    2014-08-17

    The metallic compound MnBi is a promising rare-earth-free permanent magnet material. Compare to other rare-earth-free candidates, MnBi stands out for its high intrinsic coercivity (Hci) and its large positive temperature coefficient. Several groups have demonstrated that the Hci of MnBi compound in thin film or in powder form can exceed 12 kOe and 26 kOe at 300 K and 523 K, respectively. Such steep increase in Hci with increasing temperature is unique to MnBi. Consequently, MnBi is a highly sought-after hard phase for exchange coupling nanocomposite magnets. The reaction between Mn and Bi is peritectic, so Mn tends to precipitate out of the MnBi liquid during the solidification process. As result, the composition of the Mn-Bi alloy with the largest amount of the desired LTP (low temperature phase) MnBi and highest saturation magnetization will be over-stoichiometric and rich in Mn. The amount of additional Mn required to compensate the Mn precipitation depends on solidification rate: the faster the quench speed, the less Mn precipitates. Here we report a systematic study of the effect of composition and heat treatments on the phase contents and magnetic properties of Mn-Bi alloys. In this study, Mn-Bi alloys with 14 compositions were prepared using conventional metallurgical methods such as arc melting and vacuum heat treatment, and the obtained alloys were analyzed for compositions, crystal structures, phase content, and magnetic properties. The results show that the composition with 55 at.% Mn exhibits the highest LTP MnBi content and the highest magnetization. The sample with this composition shows >90 wt.% LTP MnBi content. Its measured saturation magnetization is 68 emu/g with 2.3 T applied field at 300 K; its coercivity is 13 kOe and its energy product is 12 MGOe at 300 K. A bulk magnet fabricated using this powder exhibits an energy product of 8.2 MGOe.

  18. Magnetostructural phase transformations in Tb 1-x Mn 2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zou, Junding; Paudyal, Durga; Liu, Jing; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Gschneidner, Karl A.

    2015-01-16

    Magnetism and phase transformations in non-stoichiometric Tb1-xMn2 (x = 0.056, 0.039) have been studied as functions of temperature and magnetic field using magnetization, heat capacity, and X-ray powder diffraction measurements. Lowering the temperature, the compounds sequentially order ferrimagnetically and antiferromagnetically, and finally, exhibit spin reorientation transitions. Moreover, these structural distortions from room temperature cubic to low temperature rhombohedral structures occur at TN, and are accompanied by large volume changes reaching ~-1.27% and -1.42%, respectively. First principles electronic structure calculations confirm the phase transformation from the ferrimagnetic cubic structure to the antiferromagnetic rhombohedral structure in TbMn2.

  19. On the state of Mn impurity implanted in Si

    SciTech Connect (OSTI)

    Orlov, A. F.; Bublik, V. T.; Vdovin, V. I.; Agafonov, Yu. A.; Balagurov, L. A.; Zinenko, V. I.; Kulemanov, I. V.; Shcherbachev, K. D.

    2009-07-15

    The state of manganese impurity in implanted silicon at implantation doses of up to 5 x 10{sup 16} cm{sup -2} has been investigated by X-ray diffraction and transmission electron microscopy. It is established that, after short-term vacuum annealing at 850{sup o}C, most of the implanted manganese impurities are in microinclusions up to 20 nm in size formed by a tetragonal silicide phase of the Mn{sub 15}Si{sub 26} type.

  20. High-pressure structural study of MnF2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.; Konopkova, Zuzana; Raptis, Constantine

    2015-02-01

    In this study, manganese fluoride (MnF2) with the tetragonal rutile-type structure has been studied using a synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy in a diamond anvil cell up to 60 GPa at room temperature combined with first-principles density functional calculations. The experimental data reveal two pressure-induced structural phase transitions with the following sequence: rutile → SrI2 type (3 GPa)→ α–PbCl2 type (13 GPa). Complete structural information, including interatomic distances, has been determined in the case of MnF2 including the exact structure of the debated first high-pressure phase. First-principles density functional calculations confirm this phase transition sequence, and themore » two calculated transition pressures are in excellent agreement with the experiment. Lattice dynamics calculations also reproduce the experimental Raman spectra measured for the ambient and high-pressure phases. The results are discussed in line with the possible practical use of rutile-type fluorides in general and specifically MnF2 as a model compound to reveal the HP structural behavior of rutile-type SiO2 (Stishovite).« less

  1. Manganese valence and coordination structure in Mn,Mg-codoped {gamma}-AlON green phosphor

    SciTech Connect (OSTI)

    Takeda, Takashi; Xie, Rong-Jun; Hirosaki, Naoto; Matsushita, Yoshitaka; Honma, Tetuso

    2012-10-15

    The valence and coordination structure of manganese in a Mn,Mg-codoped {gamma}-AlON spinel-type oxynitride green phosphor were studied by synchrotron X-ray diffraction and absorption fine structure measurements. The absorption edge position of the XANES revealed the bivalency of Mn. Two cation sites are available in the spinel structure for cation doping: a tetrahedral site and an octahedral site. The pre-edge of the XANES and the distance to the nearest neighbor atoms obtained from the EXAFS measurement showed that Mn was situated at the tetrahedral site. Rietveld analysis showed that the vacancy occupied the octahedral site. The preferential occupation of the tetrahedral site by Mn and the roles of N and Mg are discussed in relation to the spinel crystal structure. - Graphical Abstract: Fourier transform of EXAFS of Mn K-edge for Mn,Mg-codoped green phosphor and Mn coordination structure. Highlights: Black-Right-Pointing-Pointer Mn, Mg-codoped {gamma}-AlON green phosphor for white LED. Black-Right-Pointing-Pointer The valence of Mn is divalent. Black-Right-Pointing-Pointer Mn occupies the tetrahedral site in the spinel structure.

  2. Ferromagnetic interactions and martensitic transformation in Fe doped Ni-Mn-In shape memory alloys

    SciTech Connect (OSTI)

    Lobo, D. N.; Priolkar, K. R.; Emura, S.; Nigam, A. K.

    2014-11-14

    The structure, magnetic, and martensitic properties of Fe doped Ni-Mn-In magnetic shape memory alloys have been studied by differential scanning calorimetry, magnetization, resistivity, X-ray diffraction (XRD), and EXAFS. While Ni{sub 2}MnIn{sub 1?x}Fe{sub x} (0???x???0.6) alloys are ferromagnetic and non martensitic, the martensitic transformation temperature in Ni{sub 2}Mn{sub 1.5}In{sub 1?y}Fe{sub y} and Ni{sub 2}Mn{sub 1.6}In{sub 1?y}Fe{sub y} increases for lower Fe concentrations (y???0.05) before decreasing sharply for higher Fe concentrations. XRD analysis reveals presence of cubic and tetragonal structural phases in Ni{sub 2}MnIn{sub 1?x}Fe{sub x} at room temperature with tetragonal phase content increasing with Fe doping. Even though the local structure around Mn and Ni in these Fe doped alloys is similar to martensitic Mn rich Ni-Mn-In alloys, presence of ferromagnetic interactions and structural disorder induced by Fe affect Mn-Ni-Mn antiferromagnetic interactions resulting in suppression of martensitic transformation in these Fe doped alloys.

  3. Effect of composition and heat treatment on MnBi magnetic materials

    SciTech Connect (OSTI)

    Cui, Jun [Pacific Northwest National Laboratory; Choi, Jung-Pyung [Pacific Northwest National Laboratory; Polikarpov, Evgueni [Pacific Northwest National Laboratory; Bowden, Mark E [Pacific Northwest National Laboratory; Xie, Wei [Pacific Northwest National Laboratory; Li, Guosheng [Pacific Northwest National Laboratory; Nie, Zimin [Pacific Northwest National Laboratory; Zarkevich, Nikolai [Ames Laboratory; Kramer, Matthew J [Ames Laboratory; Johnson, Duane [Ames Laboratory

    2014-10-01

    The metallic compound MnBi is a promising rare-earth-free permanent magnet material, unique among all candidates for its high intrinsic coercivity (Hci) and its large positive temperature coefficient. The Hci of MnBi in thin-film or powder form can exceed 12 and 26 kOe at 300 and 523 K, respectively. Such a steep rise in Hci with increasing temperature is unique to MnBi. Consequently, MnBi is a highly sought-after hard phase for exchange coupling nanocomposite magnets. However, the reaction between Mn and Bi is peritectic, and hence Mn tends to precipitate out of the MnBi liquid during the solidification process. As result, when the alloy is prepared using conventional induction or arc-melting casting methods, additional Mn is required to compensate the precipitation of Mn. In addition to composition, post-casting annealing plays an important role in obtaining a high content of MnBi low-temperature phase (LTP) because the annealing encourages the Mn precipitates and the unreacted Bi to react, forming the desired LTP phase. Here we report a systematic study of the effect of composition and heat treatments on the phase content and magnetic properties of MnBi alloys. In this study, 14 compositions were prepared using conventional metallurgical methods, and the compositions, crystal structures, phase content and magnetic properties of the resulting alloys were analyzed. The results show that the composition with 55 at.% Mn exhibits both the highest LTP content (93 wt.%) and magnetization (74 emu g?1 with 9 T applied field at 300 K).

  4. Dynamic study of (De)sodiation in alpha-MnO2 nanowires

    SciTech Connect (OSTI)

    Yuan, Yifei; Ma, Lu; He, Kun; Yao, Wentao; Nie, Anmin; Bi, Xuanxuan; Amine, Khalil; Wu, Tianpin; Lu, Jun; Shahbazian-Yassr, Reza

    2016-01-01

    In this report, the electrochemical sodiation and desodiation in single crystalline alpha-MnO2 nanowires are studied dynamically at both single particle level using in situ transmission electron microscopy (TEM) and bulk level using in situ synchrotron X-ray. The TEM results suggest that the first sodiation process starts with tunnel-based Na+ intercalation, experiences the formation of Na0.5MnO2 as a result of tunnel degradation, and ends with the Mn2O3 phase. The inserted Na+ can be partially extracted out of the sodiated products, and the following cycles are dominated by the reversible conversion reaction between Na0.5MnO2 and Mn2O3. The Mn valence evolution inside a cycling coin using alpha-MnO2 nanowire electrode also exhibits partially reversible characteristic, agreeing well with the in situ TEM analysis. The sodiation is compared with lithiation in the same alpha-MnO2 nanowires. Both Na+ and Li+ interact with the tunneled structure via a similar tunnel -driven intercalation mechanism before Mn4+ is reduced to Mn3.5+. For the following deep insertion, the tunnels survive up. to LiMnO2 (Mn3+) during lithiation, while the sodiation proceeds via a different mechanism that involves obvious phase transition and fast tunnel degradation after Mn's valence is below 3.5+. The difference in charge carrier insertion mechanisms can be ascribed to the strong interaction between the tunnel frame and inserted Na+ possessing a larger ionic size than inserted Li+.

  5. Large exchange bias enhancement in (Pt(or Pd)/Co)/IrMn/Co trilayers with ultrathin IrMn thanks to interfacial Cu dusting

    SciTech Connect (OSTI)

    Vinai, G. [SPINTEC, UMR 8191 CEA/CNRS/UJF/Grenoble-INP, CEA/INAC, 17, rue des Martyrs, 38054 Grenoble (France); Crocus Technology, 4 Place Robert Schuman, 38054 Grenoble (France); Moritz, J. [Institut Jean Lamour, UMR 7198 CNRS - Universit de Lorraine, Bd des Aiguillettes, BP 70239, F-54506 Vandoeuvre-les-Nancy Cedex (France); Bandiera, S. [Crocus Technology, 4 Place Robert Schuman, 38054 Grenoble (France); Prejbeanu, I. L.; Dieny, B. [SPINTEC, UMR 8191 CEA/CNRS/UJF/Grenoble-INP, CEA/INAC, 17, rue des Martyrs, 38054 Grenoble (France)

    2014-04-21

    The magnitude of exchange bias (H{sub ex}) at room temperature can be significantly enhanced in IrMn/Co and (Pt(or Pd)/Co)/IrMn/Co structures thanks to the insertion of an ultrathin Cu dusting layer at the IrMn/Co interface. The combination of trilayer structure and interfacial Cu dusting leads to a three-fold increase in H{sub ex} as compared to the conventional IrMn/Co bilayer structure, with an increased blocking temperature (T{sub B}) and a concave curvature of the temperature dependence H{sub ex}(T), ideal for improved Thermally Assisted-Magnetic Random Access Memory storage layer. This exchange bias enhancement is ascribed to a reduction of the spin frustration at the IrMn/Co interface thanks to interfacial Cu addition.

  6. Synthesis, characterization and electrochemical performance of Al-substituted Li₂MnO₃

    SciTech Connect (OSTI)

    Dhital, Chetan; Huq, Ashfia; Paranthaman, Mariappan Parans; Manivannan, Ayyakkannu; Torres-Castro, Loraine; Shojan, Jifi; Julien, Christian M.; Katiyar, Ram S.

    2015-08-08

    Li2MnO3 is known to be electrochemically inactive due to Mn in tetravalent oxidation state. Several compositions such as Li2MnO3 , Li1.5Al0.17MnO3, Li1.0Al0.33MnO3 and Li0.5Al0.5MnO3 were synthesized by a sol–gel Pechini method. All the samples were characterized with x-ray diffraction, Raman, x-ray photoelectron spectroscopy, scanning electron microscopy, Tap density and BET analyzer. X-ray diffraction patterns indicated the presence of monoclinic phase for pristine Li2MnO3and mixed monoclinic/spinel phases (Li2 - xMn1 - yAlx + yO3 + z) for Al-substituted Li2MnO3compounds. The Al substitution seems to occur both at Li and Mn sites, which could explain the presence of spinel phase. X-ray photoelectron spectroscopy for Mn 2p orbital reveals a significant decrease in binding energy for Li1.0Al0.33MnO3 and Li0.5Al0.5MnO3 compounds. Cyclic voltammetry, charge/discharge cycles and electrochemical impedance spectroscopy were also performed. A discharge capacity of 24 mAh g-1 for Li2MnO3, 68 mAh g-1 for Li1.5Al0.17MnO3, 58 mAh g-1 for Li1.0Al0.33MnO3 and 74 mAh g-1 for Li0.5Al0.5MnO3 were obtained. As a result, aluminum substitutions increased the formation of spinel phase which is responsible for cycling.

  7. The magnetic origin of multiferroic Y{sub 2}CoMnO{sub 6}

    SciTech Connect (OSTI)

    Jia, Ting; Zeng, Zhi; Li, X. G.; Lin, H. Q.

    2015-05-07

    It has been found experimentally that the ferroelectricity in Y{sub 2}CoMnO{sub 6} is driven by a magnetic ordering of collinear up-up-down-down (↑↑↓↓). Here, the origin of the magnetism and thereby ferroelectricity is studied using first-principles calculations. We first confirm that the experimentally observed ↑↑↓↓ antiferromagnetic structure is the ground state of Y{sub 2}CoMnO{sub 6}. Additionally, both the Co{sup 2+} and Mn{sup 4+} are in the high-spin state. By analyzing the exchange coupling and corresponding pathways, we conclude that the ↑↑↓↓ spin order in Y{sub 2}CoMnO{sub 6} originates from a subtle competition between the ferromagnetic Co-O-Mn super-exchange and antiferromagnetic Co-Mn direct-exchange along c axis.

  8. Enhanced magnetic hysteresis in Ni-Mn-Ga single crystal and its influence

    Office of Scientific and Technical Information (OSTI)

    on magnetic shape memory effect (Journal Article) | SciTech Connect Enhanced magnetic hysteresis in Ni-Mn-Ga single crystal and its influence on magnetic shape memory effect Citation Details In-Document Search Title: Enhanced magnetic hysteresis in Ni-Mn-Ga single crystal and its influence on magnetic shape memory effect Enhanced magnetic hysteresis due to boron doping in combination with magnetic shape memory effect in Ni-Mn-Ga single crystal results in new interesting functionality of

  9. Structural and ferromagnetic properties of an orthorhombic phase of MnBi stabilized with Rh additions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Taufour, Valentin; Thimmaiah, Srinivasa; March, Stephen; Saunders, Scott; Sun, Kewei; Lamichhane, Tej Nath; Kramer, Matthew J.; Bud’ko, Sergey L.; Canfield, Paul C.

    2015-07-28

    The article addresses the possibility of alloy elements in MnBi which may modify the thermodynamic stability of the NiAs-type structure without significantly degrading the magnetic properties. The addition of small amounts of Rh and Mn provides an improvement in the thermal stability with some degradation of the magnetic properties. The small amounts of Rh and Mn additions in MnBi stabilize an orthorhombic phase whose structural and magnetic properties are closely related to the ones of the previously reported high-temperature phase of MnBi (HT MnBi). The properties of the HT MnBi, which is stable between 613 and 719 K, have notmore » been studied in detail because of its transformation to the stable low-temperature MnBi (LT MnBi), making measurements near and below its Curie temperature difficult. The Rh-stabilized MnBi with chemical formula Mn1.0625–xRhxBi [x=0.02(1)] adopts a new superstructure of the NiAs/Ni2In structure family. It is ferromagnetic below a Curie temperature of 416 K. The critical exponents of the ferromagnetic transition are not of the mean-field type but are closer to those associated with the Ising model in three dimensions. The magnetic anisotropy is uniaxial; the anisotropy energy is rather large, and it does not increase when raising the temperature, contrary to what happens in LT MnBi. The saturation magnetization is approximately 3μB/f.u. at low temperatures. Thus, while this exact composition may not be application ready, it does show that alloying is a viable route to modifying the stability of this class of rare-earth-free magnet alloys.« less

  10. Electronic Structure and Oxidation State Changes in the Mn (4) Ca Cluster of Photosystem II

    SciTech Connect (OSTI)

    Yano, J.; Pushkar, Y.; Messinger, J.; Bergmann, U.; Glatzel, P.; Yachandra, V.K.; /SLAC

    2012-08-17

    Oxygen-evolving complex (Mn{sub 4}Ca cluster) of Photosystem II cycles through five intermediate states (S{sub i}-states, i = 0-4) before a molecule of dioxygen is released. During the S-state transitions, electrons are extracted from the OEC, either from Mn or alternatively from a Mn ligand. The oxidation state of Mn is widely accepted as Mn{sub 4}(III{sub 2},IV{sub 2}) and Mn{sub 4}(III,IV{sub 3}) for S{sub 1} and S{sub 2} states, while it is still controversial for the S{sub 0} and S{sub 3} states. We used resonant inelastic X-ray scattering (RIXS) to study the electronic structure of Mn{sub 4}Ca complex in the OEC. The RIXS data yield two-dimensional plots that provide a significant advantage by obtaining both K-edge pre-edge and L-edge-like spectra (metal spin state) simultaneously. We have collected data from PSII samples in the each of the S-states and compared them with data from various inorganic Mn complexes. The spectral changes in the Mn 1s2p{sub 3/2} RIXS spectra between the S-states were compared to those of the oxides of Mn and coordination complexes. The results indicate strong covalency for the electronic configuration in the OEC, and we conclude that the electron is transferred from a strongly delocalized orbital, compared to those in Mn oxides or coordination complexes. The magnitude for the S{sub 0} to S{sub 1}, and S{sub 1} to S{sub 2} transitions is twice as large as that during the S{sub 2} to S{sub 3} transition, indicating that the electron for this transition is extracted from a highly delocalized orbital with little change in charge density at the Mn atoms.

  11. Cr(OH)₃(s) Oxidation Induced by Surface Catalyzed Mn(II) Oxidation

    SciTech Connect (OSTI)

    Namgung, Seonyi; Kwon, M.; Qafoku, Nikolla; Lee, Gie Hyeon

    2014-09-16

    This study examined the feasibility of Cr(OH)₃(s) oxidation mediated by surface catalyzed Mn(II) oxidation under common groundwater pH conditions as a potential pathway of natural Cr(VI) contaminations. Dissolved Mn(II) (50 μM) was reacted with or without synthesized Cr(OH)₃(s) (1.0 g/L) at pH 7 – 9 under oxic or anoxic conditions. In the absence of Cr(OH)₃(s), homogeneous Mn(II) oxidation by dissolved O₂ was not observed at pH ≤ 8.0 for 50 d. At pH 9.0, by contrast, dissolved Mn(II) was completely removed within 8 d and precipitated as hausmannite. When Cr(OH)₃(s) was present, this solid was oxidized and released substantial amounts of Cr(VI) as dissolved Mn(II) was added into the suspension at pH ≥ 8.0 under oxic conditions. Our results suggest that Cr(OH)₃(s) was readily oxidized by a newly formed Mn oxide as a result of Mn(II) oxidation catalyzed on Cr(OH)₃(s) surface. XANES analysis of the residual solids after the reaction between 1.0 g/L Cr(OH)₃(s) and 204 μM Mn(II) at pH 9.0 for 22 d revealed that the product of surface catalyzed Mn(II) oxidation resembled birnessite. The rate and extent of Cr(OH)₃(s) oxidation was likely controlled by those of surface catalyzed Mn(II) oxidation as the production of Cr(VI) increased with increasing pH and initial Mn(II) concentrations. This study evokes the potential environmental hazard of sparingly soluble Cr(OH)₃(s) that can be a source of Cr(VI) in the presence of dissolved Mn(II).

  12. Structural and ferromagnetic properties of an orthorhombic phase of MnBi stabilized with Rh additions

    SciTech Connect (OSTI)

    Taufour, Valentin; Thimmaiah, Srinivasa; March, Stephen; Saunders, Scott; Sun, Kewei; Lamichhane, Tej Nath; Kramer, Matthew J.; Bud’ko, Sergey L.; Canfield, Paul C.

    2015-07-28

    The article addresses the possibility of alloy elements in MnBi which may modify the thermodynamic stability of the NiAs-type structure without significantly degrading the magnetic properties. The addition of small amounts of Rh and Mn provides an improvement in the thermal stability with some degradation of the magnetic properties. The small amounts of Rh and Mn additions in MnBi stabilize an orthorhombic phase whose structural and magnetic properties are closely related to the ones of the previously reported high-temperature phase of MnBi (HT MnBi). The properties of the HT MnBi, which is stable between 613 and 719 K, have not been studied in detail because of its transformation to the stable low-temperature MnBi (LT MnBi), making measurements near and below its Curie temperature difficult. The Rh-stabilized MnBi with chemical formula Mn1.0625–xRhxBi [x=0.02(1)] adopts a new superstructure of the NiAs/Ni2In structure family. It is ferromagnetic below a Curie temperature of 416 K. The critical exponents of the ferromagnetic transition are not of the mean-field type but are closer to those associated with the Ising model in three dimensions. The magnetic anisotropy is uniaxial; the anisotropy energy is rather large, and it does not increase when raising the temperature, contrary to what happens in LT MnBi. The saturation magnetization is approximately 3μB/f.u. at low temperatures. Thus, while this exact composition may not be application ready, it does show that alloying is a viable route to modifying the stability of this class of rare-earth-free magnet alloys.

  13. Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | DOE PAGES Accepted Manuscript: Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy This content will become publicly available on August 20, 2016 « Prev Next » Title: Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy Momentum resolved inverse photoemission spectroscopy measurements show that the dispersion of the unoccupied bands of Ni2MnGa is significant in the austenite phase. Furthermore, in the martensite phase, it

  14. Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy Citation Details In-Document Search This content will become publicly available on August 20, 2016 Title: Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy Momentum resolved inverse photoemission spectroscopy measurements show that the dispersion of the unoccupied bands of Ni2MnGa is significant in the austenite phase. Furthermore, in the martensite phase,

  15. CaMn2Sb2: Spin waves on a frustrated antiferromagnetic honeycomb lattice

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect CaMn2Sb2: Spin waves on a frustrated antiferromagnetic honeycomb lattice Citation Details In-Document Search Title: CaMn2Sb2: Spin waves on a frustrated antiferromagnetic honeycomb lattice We present inelastic neutron scattering measurements of the antiferromagnetic insulator CaMn2Sb2:, which consists of corrugated honeycomb layers of Mn. The dispersion of magnetic excitations has been measured along the H and L directions in reciprocal space, with a

  16. Preparation and electrochemical properties of lamellar MnO{sub 2} for supercapacitors

    SciTech Connect (OSTI)

    Yan, Jun; Wei, Tong; Cheng, Jie; Fan, Zhuangjun; Zhang, Milin

    2010-02-15

    Lamellar birnessite-type MnO{sub 2} materials were prepared by changing the pH of the initial reaction system via hydrothermal synthesis. The interlayer spacing of MnO{sub 2} with a layered structure increased gradually when the initial pH value varied from 12.43 to 2.81, while the MnO{sub 2}, composed of {alpha}-MnO{sub 2} and {gamma}-MnO{sub 2}, had a rod-like structure at pH 0.63. Electrochemical studies indicated that the specific capacitance of birnessite-type MnO{sub 2} was much higher than that of rod-like MnO{sub 2} at high discharge current densities due to the lamellar structure with fast intercalation/deintercalation of protons and high utilization of MnO{sub 2}. The initial specific capacitance of MnO{sub 2} prepared at pH 2.81 was 242.1 F g{sup -1} at 2 mA cm{sup -2} in 2 mol L{sup -1} (NH{sub 4}){sub 2}SO{sub 4} aqueous electrolyte. The capacitance increased by about 8.1% of initial capacitance after 200 cycles at a current density of 100 mA cm{sup -2}.

  17. International Falls, MN Natural Gas Pipeline Imports From Canada (Dollars

    U.S. Energy Information Administration (EIA) Indexed Site

    per Thousand Cubic Feet) Dollars per Thousand Cubic Feet) International Falls, MN Natural Gas Pipeline Imports From Canada (Dollars per Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's 1.71 2.03 2.00 2.33 2000's 2.77 4.85 3.01 -- -- 11.20 -- - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016 Referring Pages: U.S.

  18. International Falls, MN Natural Gas Pipeline Imports From Canada (Million

    U.S. Energy Information Administration (EIA) Indexed Site

    Cubic Feet) Million Cubic Feet) International Falls, MN Natural Gas Pipeline Imports From Canada (Million Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's 6,373 6,544 6,103 4,857 2000's 3,022 617 602 0 0 22 0 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016 Referring Pages: U.S.

  19. Electrochemical performance studies of MnO{sub 2} nanoflowers recovered from spent battery

    SciTech Connect (OSTI)

    Ali, Gomaa A.M.; Tan, Ling Ling; Jose, Rajan; Yusoff, Mashitah M.; Chong, Kwok Feng

    2014-12-15

    Highlights: MnO{sub 2} is recovered from spent zinccarbon batteries as nanoflowers structure. Recovered MnO{sub 2} nanoflowers show high specific capacitance. Recovered MnO{sub 2} nanoflowers show stable electrochemical cycling up to 900 cycles. Recovered MnO{sub 2} nanoflowers show low resistance in EIS data. - Abstract: The electrochemical performance of MnO{sub 2} nanoflowers recovered from spent household zinccarbon battery is studied by cyclic voltammetry, galvanostatic charge/discharge cycling and electrochemical impedance spectroscopy. MnO{sub 2} nanoflowers are recovered from spent zinccarbon battery by combination of solution leaching and electrowinning techniques. In an effort to utilize recovered MnO{sub 2} nanoflowers as energy storage supercapacitor, it is crucial to understand their structure and electrochemical performance. X-ray diffraction analysis confirms the recovery of MnO{sub 2} in birnessite phase, while electron microscopy analysis shows the MnO{sub 2} is recovered as 3D nanostructure with nanoflower morphology. The recovered MnO{sub 2} nanoflowers exhibit high specific capacitance (294 F g{sup ?1} at 10 mV s{sup ?1}; 208.5 F g{sup ?1} at 0.1 A g{sup ?1}) in 1 M Na{sub 2}SO{sub 4} electrolyte, with stable electrochemical cycling. Electrochemical data analysis reveal the great potential of MnO{sub 2} nanoflowers recovered from spent zinccarbon battery in the development of high performance energy storage supercapacitor system.

  20. Lattice Mn3+ Behaviors in Li4Ti5O12/LiNi0.5Mn1.5O4 Full Cells

    SciTech Connect (OSTI)

    Zheng, Jianming; Xiao, Jie; Nie, Zimin; Zhang, Jiguang

    2013-05-28

    High voltage spinels LiNi0.5Mn1.5O4 (LNMO) with different contents of residual Mn3+ ions have been evaluated in full cells using Li4Ti5O12 (LTO) as standard anode. Greatly improved cycling stability has been observed for all spinels in LTO-limited full cell, compared with those in LNMO-limited ones, while the underlying mechanisms are quite different. It has been discovered that the participation of active Mn3+ in the extended cycling and thus its observable contribution to Li+ diffusion kinetics depend on the limiting electrode and the sufficiency of Li+ ions. Potential Mn dissolution has also been discussed to identify the key factors that need to be considered to construct full cells employing high voltage spinel as the cathode.

  1. Plains and Eastern Clean Line Transmission Line: Comment from Ms. Callahan

    Energy Savers [EERE]

    | Department of Energy Ms. Callahan Plains and Eastern Clean Line Transmission Line: Comment from Ms. Callahan Comment submitted on updated Part 2 application. PDF icon Comment from Ms. Callahan 07-13-15.pdf More Documents & Publications Plains and Eastern Clean Line Transmission Line: Comment from Cynthia Blansett (COE) Plains and Eastern Clean Line Transmission Line: Comment from Dr. Contreras Plains and Eastern Clean Line Transmission Line: Comment from Simon Mahan (SWEA)

  2. Room temperature spin-polarizations of Mn-based antiferromagnetic nanoelectrodes

    SciTech Connect (OSTI)

    Yamada, Toyo Kazu; Vazquez de Parga, Amadeo L.

    2014-11-03

    Antiferromagnets produce no stray field, and therefore, a tip electrode made of antiferromagnetic material has been considered to be the most suitable choice to measure such as magnetoresistance (MR) through single isolated magnetic nanoparticles, molecules, and ultrathin films. Spin polarizations (P) of antiferromagnetic 3-nm, 6-nm, and annealed 3-nm Mn films grown on W tips with a bcc(110) apex as well as bulk-NiMn tips were obtained at 300?K by measuring MR in ultrahigh vacuum by means of spin-polarized scanning tunneling microscopy using a layerwise antiferromagnetically stacking bct-Mn(001) film electrode. The Mn-coated tips with coverages of 3 and 6?nm exhibited P values of 1??1% and 3??2%, respectively, which tips likely contain ?- or strained Mn. With a thermal assist, the crystalline quality and the magnetic stability of the film could increase. The annealed tip exhibited P?=?9??2%. The bulk-NiMn tips exhibit spin polarizations of 0 or 6??2% probably depending on the chemical species (Mn or Ni) present at the apex of the tip. Fe-coated W tips were used to estimate the bct-Mn(001) film spin polarization.

  3. Impedance studies of the thin film LiMn2O4/electrolyteinterface

    SciTech Connect (OSTI)

    Striebel, Kathryn A.; Sakai, E.; Cairns, Elton J.

    2001-04-07

    Room-temperature impedance measurements of a thin-film LiMn2O4/LiPF6-EC-DMC interface have been used to identify the spontaneous formation Li2Mn2O4 at the interface at room temperature at voltages of 3.7 and higher. The impedance of the LiMn2O4 films exhibited two time constants: at about 14 kHz and 60 to 200 Hz. The high frequency loop is dependent on film morphology and was attributed to the substrate/oxide interface. The low frequency behavior was dependent on both state-of-charge (SOC) and time at a given SOC. At full charge the impedance in this electrolyte was stable at room temperature over several days. At high lithium contents, film OCV and impedance tended to grow logarithmically with time, with lower rates for lower Mn3+ content in the film. The increased impedance was removed by oxidation of the film to 4.5V vs. Li/Li+. The observations are consistent with a reversible disproportionation of part of the LiMn2O4 into Li2Mn2O4 and a lithium-deficient spinel. With extended constant current cycling part of the Li2Mn2O4 degrades to the Mn2O3 and the process is no longer reversible.

  4. Magnetic and structural properties of Zn doped MnV{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Shahi, Prashant; Shukla, K. K.; Singh, Rahul; Chatterjee, Sandip; Das, A.; Ghosh, A. K.; Nigam, A. K.

    2014-04-24

    The magnetization, Neutron diffraction and X-ray diffraction of Zn doped MnV{sub 2}O{sub 4} as a function of temperature have been measured. It has been observed, with increase of Zn the non-linear orientation of Mn spins with the V spins will decrease which effectively decrease the structural transition temperature more rapidly than Curie Temperature.

  5. Spin correlations and electron transport in MnBi:Au films

    SciTech Connect (OSTI)

    Kharel, P.; Skomski, R.; Sellmyer, D. J.

    2011-04-01

    The structural, magnetic, and electron transport properties of Mn{sub 55-x}Au{sub x}Bi{sub 45} (x = 0, 4.5) thin films prepared by magnetron sputtering have been investigated. The magnetization of the MnBi films decreases and the coercivity increases due to Au doping. The temperature dependence of resistivity between 2 to 300 K shows that the films are metallic but the 4.5% Au-doped film shows a Kondo behavior with resistance minimum at 10.2 K. The magnetoresistance is anisotropic and the positive transverse magnetoresistance is significantly enhanced (16.3% at 70 kOe) by Au doping. We interpret these data in terms of a model in which Au atoms preferentially substitute for Mn atoms on the Mn lattice, and some Mn atoms are displaced to interstitial sites in the NiAs structure. These interstitial Mn atoms are coupled antiferromagnetically to the Mn atoms on the original Mn lattice leading to the large decrease in magnetization, Kondo effect, and the positive magnetoresistance.

  6. Electric-Field Modulation of Curie Temperature in (Ga, Mn)As Field-Effect Transistor Structures with Varying Channel Thickness and Mn Compositions

    SciTech Connect (OSTI)

    Nishitani, Y.; Endo, M.; Chiba, D.; Matsukura, F.; Ohno, H.

    2010-01-04

    We have investigated the change of T{sub C} of ferromagnetic semiconductor (Ga, Mn)As by changing hole concentration p. The field effect transistor structure was utilized to change p. The relation T{sub C}propor top{sup 0.2} is obtained for three samples, despite the difference of their Mn composition and thickness, indicating that the relation holds over 2 decades of p.

  7. K and Mn co-doped BaCd{sub 2}As{sub 2}: A hexagonal structured...

    Office of Scientific and Technical Information (OSTI)

    K and Mn co-doped BaCdsub 2Assub 2: A hexagonal structured bulk diluted magnetic semiconductor with large magnetoresistance Citation Details In-Document Search Title: K and Mn ...

  8. Characterization of Fatty Acids in Crenarchaeota by GC-MS and...

    Office of Scientific and Technical Information (OSTI)

    Title: Characterization of Fatty Acids in Crenarchaeota by GC-MS and NMR Lipids composed ... Because lipids are energy currency and cell signaling molecules, their presence in Archaea ...

  9. ST. LCUIS ST. LallS JOKIN KFms Clrv S!. LrMS ST. Lcm

    Office of Legacy Management (LM)

    Ho. 30 !2121/87 smt6w cm ST. LCUIS ST. LallS JOKIN KFms Clrv S!. LrMS ST. Lcm

  10. Ms Van T Nguyen | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    firm as a Chemical Engineer. Education: M.S., Environmental Science and Engineering, Virginia Polytechnic Institute and State University, 1993 B.S., Chemical Engineering, ...

  11. Magnetic properties and photoabsorption of the Mn-doped CeO{sub 2} nanorods

    SciTech Connect (OSTI)

    Xia, Chuanhui; Science College of Chongqing Jiaotong University, Chongqing 400074 ; Hu, Chenguo; Chen, Peng; Wan, Buyong; He, Xiaoshan; Tian, Yongshu; Chongqing Communication College, Chongqing 400035

    2010-07-15

    Mn-doped CeO{sub 2} nanorods have been prepared from CeO{sub 2} particles through a facile composite-hydroxide-mediated (CHM) approach. The analysis from X-ray photoelectron spectroscopy indicates that the manganese doped in CeO{sub 2} exists as Mn{sup 2+}. The magnetic measurement of the Mn-doped CeO{sub 2} nanorods exhibits an enhanced ferromagnetic property at room temperature with a remanence magnetization (Mr) of 1.36 x 10{sup -3} emu/g and coercivity (Hc) of 22 Oe. Comparative UV-visible spectra reveal the shift of the absorption peak of the CeO{sub 2} from ultraviolet region to visible light region after being doped with Mn. The room temperature ferromagnetic properties and light absorption of the Mn-doped CeO{sub 2} nanorods would have potential applications in photocatalysis and building of photovoltaic devices.

  12. Giant atomic displacement at a magnetic phase transition in metastable Mn3O4

    SciTech Connect (OSTI)

    Hirai, Shigeto; Moreira Dos Santos, Antonio F; Shapiro, Max C; Molaison, Jamie J; Pradhan, Neelam; Guthrie, Malcolm; Tulk, Christopher A; Fisher, Ian R; Mao, Wendy

    2013-01-01

    We present x-ray, neutron scattering, and heat capacity data that reveal a coupled first-order magnetic and structural phase transition of the metastable mixed-valence postspinel compound Mn3O4 at 210 K. Powder neutron diffraction measurements reveal a magnetic structure in which Mn3+ spins align antiferromagnetically along the edge-sharing a axis, with a magnetic propagation vector k = [1/2,0,0]. In contrast, the Mn2+ spins, which are geometrically frustrated, do not order until a much lower temperature. Although the Mn2+ spins do not directly participate in the magnetic phase transition at 210 K, structural refinements reveal a large atomic shift at this phase transition, corresponding to a physical motion of approximately 0.25 angstrom, even though the crystal symmetry remains unchanged. This "giant" response is due to the coupled effect of built-in strain in the metastable postspinel structure with the orbital realignment of the Mn3+ ion.

  13. Scanning tunneling microscopy reveals LiMnAs is a room temperature anti-ferromagnetic semiconductor

    SciTech Connect (OSTI)

    Wijnheijmer, A. P.; Koenraad, P. M.; Marti, X.; Holy, V.; Cukr, M.; Novak, V.; Jungwirth, T.

    2012-03-12

    We performed scanning tunneling microscopy and spectroscopy on a LiMnAs(001) thin film epitaxially grown on an InAs(001) substrate by molecular beam epitaxy. While the in situ cleavage exposed only the InAs(110) non-polar planes, the cleavage continued into the LiMnAs thin layer across several facets. We combined both topography and current mappings to confirm that the facets correspond to LiMnAs. By spectroscopy we show that LiMnAs has a band gap. The band gap evidenced in this study, combined with the known Neel temperature well above room temperature, confirms that LiMnAs is a promising candidate for exploring the concepts of high temperature semiconductor spintronics based on antiferromagnets.

  14. Ferromagnetic (Ga,Mn)As nanostructures for spintronic applications

    SciTech Connect (OSTI)

    Wosinski, Tadeusz; Andrearczyk, Tomasz; Figielski, Tadeusz; Makosa, Andrzej; Wrobel, Jerzy; Sadowski, Janusz

    2013-12-04

    Magneto-resistive, cross-like nanostructures have been designed and fabricated by electron-beam lithography patterning and chemical etching from thin epitaxial layers of the ferromagnetic semiconductor (Ga,Mn)As. The nanostructures, composed of two perpendicular nanostripes crossing in the middle of their length, represent four-terminal devices, in which an electric current can be driven through any of the two nanostripes. In these devices, a novel magneto-resistive memory effect, related to a rearrangement of magnetic domain walls in the central part of the device, has been demonstrated. It consists in that the zero-field resistance of a nanostripe depends on the direction of previously applied magnetic field. The nanostructures can thus work as two-state devices providing basic elements of nonvolatile memory cells.

  15. Impedance analysis of MnCoCuO NTC ceramic

    SciTech Connect (OSTI)

    Song, S.G. . E-mail: song-ph0@wpmail.paisley.ac.uk; Ling, Z.; Placido, F.

    2005-07-12

    Impedance spectroscopy is often used to analyse the electrical properties of ceramic materials having high-resistive grain boundaries, such as ZnO and SrTiO{sub 3}. Fewer attempts have been made at using this technique for the analysis of inhomogeneous electronic ceramics consisting of grains with differing composition, such as those occurring in negative temperature coefficient (NTC) thermistors. In this study, we have attempted to adopt ac impedance spectroscopy together with other techniques to analyse an NTC thermistor ceramic material. An Mn, Co and Cu multielements transition metal oxide (MnCoCuO) ceramic was prepared by using homogeneous precipitation employing oxalic acid. This material displayed a typical NTC effect, showing an electrical resistance decrease with temperature when dc electrical measurement was performed. The ac impedance spectroscopy analysis showed that there were two peaks in impedance and conductance versus frequency plot. By using an alternative representation of impedance spectra Z'/f versus Z', three distinct relaxation frequency ranges were identified. They are believed to originate, respectively, from the electrode, phase 1 (rich-Cu phase) and phase 2 (poor-Cu phase) grains existing in this ceramic. SEM observation and EDX analysis clearly showed existence of two distinct phase grains. The resistance values were derived from phases 1 and 2 grains based on ac impedance data. The sum of the resistance values was in good agreement with that from dc measurement in the temperature range of 30-95 deg. C. The material constant, B, for the two phases was also calculated, giving 3100 and 3600 K for phases 1 and 2, respectively.

  16. Gas chromatograph-mass spectrometer (GC/MS) system for quantitative analysis of reactive chemical compounds

    DOE Patents [OSTI]

    Grindstaff, Quirinus G.

    1992-01-01

    Described is a new gas chromatograph-mass spectrometer (GC/MS) system and method for quantitative analysis of reactive chemical compounds. All components of such a GC/MS system external to the oven of the gas chromatograph are programmably temperature controlled to operate at a volatilization temperature specific to the compound(s) sought to be separated and measured.

  17. Ab initio study of Fe{sub 2}MnZ (Al, Si, Ge) Heusler alloy using GGA approximation

    SciTech Connect (OSTI)

    Jain, Vivek Kumar Jain, Vishal Lakshmi, N. Venugopalan, K.

    2014-04-24

    Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe{sub 2}MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μ{sub B}. Spin polarization calculations evidence 100% spin polarization for Fe{sub 2}MnSi. Fe{sub 2}MnAl and Fe{sub 2}MnGe show metallic behavior with 93%, 98% spin polarization.

  18. Quantum Anomalous Hall Effect in Hg_1-yMn_yTe Quantum Wells

    SciTech Connect (OSTI)

    Liu, Chao-Xing; Qi, Xiao-Liang; Dai, Xi; Fang, Zhong; Zhang, Shou-Cheng; /Stanford U., Phys. Dept.

    2010-03-19

    The quantum Hall effect is usually observed when the two-dimensional electron gas is subjected to an external magnetic field, so that their quantum states form Landau levels. In this work we predict that a new phenomenon, the quantum anomalous Hall effect, can be realized in Hg{sub 1-y}Mn{sub y}Te quantum wells, without the external magnetic field and the associated Landau levels. This effect arises purely from the spin polarization of the Mn atoms, and the quantized Hall conductance is predicted for a range of quantum well thickness and the concentration of the Mn atoms. This effect enables dissipationless charge current in spintronics devices.

  19. Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy

    SciTech Connect (OSTI)

    Maniraj, M.; D?Souza, S. W.; Rai, Abhishek; Schlagel, D. L.; Lograsso, T. A.; Chakrabarti, Aparna; Barman, S. R.

    2015-08-20

    Momentum resolved inverse photoemission spectroscopy measurements show that the dispersion of the unoccupied bands of Ni2MnGa is significant in the austenite phase. Furthermore, in the martensite phase, it is markedly reduced, which is possibly related to the structural transition to an incommensurate modulated state in the martensite phase. Finally, based on the first principle calculations of the electronic structure of NiMnGa, we show that the modification of the spectral shape with surface composition is related to change in the hybridization between the Mn 3d and Ni 3d-like states that dominate the unoccupied conduction band.

  20. Pressure-Induced Metallization of the Mott Insulator MnO (Journal Article)

    Office of Scientific and Technical Information (OSTI)

    | SciTech Connect Pressure-Induced Metallization of the Mott Insulator MnO Citation Details In-Document Search Title: Pressure-Induced Metallization of the Mott Insulator MnO High-pressure electrical conductivity experiments have been performed on the Mott insulator MnO to a maximum pressure of 106 GPa. We observe a steady decrease in resistivity to 90 GPa, followed by a large, rapid decrease by a factor of 10{sup 5} between 90 and 106 GPa. Temperature cycling the sample at 87 and 106 GPa

  1. Magnetostructural phase transformations in Tb 1-x Mn 2 (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect SciTech Connect Search Results Journal Article: Magnetostructural phase transformations in Tb 1-x Mn 2 Citation Details In-Document Search Title: Magnetostructural phase transformations in Tb 1-x Mn 2 Magnetism and phase transformations in non-stoichiometric Tb1-xMn2 (x = 0.056, 0.039) have been studied as functions of temperature and magnetic field using magnetization, heat capacity, and X-ray powder diffraction measurements. Lowering the temperature, the compounds

  2. Recent progress of magnetocaloric effect and magnetic refrigerant materials of Mn compounds (invited)

    SciTech Connect (OSTI)

    Wada, H. Takahara, T.; Katagiri, K.; Ohnishi, T.; Soejima, K.; Yamashita, K.

    2015-05-07

    Magnetocaloric and related properties of Ru and Ni substituted (MnFe){sub 2}(PSi) are presented. It is found that Ru and Ni are effective doping elements to reduce the thermal hysteresis of (MnFe){sub 2}(PSi). The origin of the thermal hysteresis is discussed on the basis of a thermodynamic model. It is shown that the elastic energy is responsible for the thermal hysteresis. We also show recent developments of the production process of Mn compounds in an industrial scale.

  3. Thermoelectric properties of nano-meso-micro β-MnO₂ powders as a

    Office of Scientific and Technical Information (OSTI)

    function of electrical resistance (Journal Article) | SciTech Connect Thermoelectric properties of nano-meso-micro β-MnO₂ powders as a function of electrical resistance Citation Details In-Document Search Title: Thermoelectric properties of nano-meso-micro β-MnO₂ powders as a function of electrical resistance Particle sizes of manganese oxide (β-MnO₂) powders were modified by using a mortar and pestle ground method for period of times that varied between 15-60 min. Particle size

  4. Role of Cu-Ion Doping in Cu-α-MnO2 Nanowire Electrocatalysts for the Oxygen Reduction Reaction

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Davis, Danae J.; Lambert, Timothy N.; Vigil, Julian A.; Rodriguez, Mark A.; Brumbach, Michael T.; Coker, Eric N.; Limmer, Steven J.

    2014-07-09

    The role of Cu-ion doping in α-MnO2 electrocatalysts for the oxygen reduction reaction in alkaline electrolyte was investigated. Copper doped α-MnO2 nanowires (Cu-α-MnO2) were prepared with varying amounts of Cu2+ using a solvothermal method. The electrocatalytic dataindicates that Cu-α-MnO2 nanowires have higher terminal current densities, enhanced kinetic rate constants, and improved charge transfer resistances that trend with Cu-content, exceeding values attained by α-MnO2 alone. The observed improvement in catalytic behavior correlates with an increase in Mn3+ content for the Cu-α-MnO2 nanowires. The Mn3+/Mn4+ couple is themediator for the rate-limiting redox driven O2-/OH- exchange. It is proposed that O2 adsorbs viaanmore » axial site (the eg orbital on the Mn3+ d4 ion) at the surface, or at edge defects, of the nanowireand that the increase in covalent nature of the nanowire with Cu-ion doping leads to stabilization of O2 adsorbates and faster rates of reduction. This work is applicable to other manganese oxide electrocatalysts and shows for the first time there is a correlation for manganese oxides between electrocatalytic activity for the ORR in alkaline electrolyte and an increase in Mn3+ character of the oxide.« less

  5. Planar Hall effect in Y{sub 3}Fe{sub 5}O{sub 12}/IrMn films

    SciTech Connect (OSTI)

    Zhang, X. Zou, L. K.

    2014-12-29

    The planar Hall effect of IrMn on an yttrium iron garnet (YIG = Y{sub 3}Fe{sub 5}O{sub 12}) was measured in the magnetic field rotating in the film plane. The magnetic field angular dependence of planar Hall resistance (PHR) was observed in YIG/IrMn bilayer at different temperatures, while the Gd{sub 3}Ga{sub 5}O{sub 12}/IrMn film shows constant PHR for different magnetic field angles at both 10 K and 300 K. This provides evidence that IrMn has interfacial spins which can be led by ferrimagnetic layer in YIG/IrMn structure. A hysteresis can be observed in PHR-magnetic field angle loop of YIG/IrMn film at 10 K, indicative of the irreversible switching of IrMn interfacial spins at low temperature.

  6. First-principles study of spin-transfer torque in Co{sub 2}MnSi/Al/Co{sub 2}MnSi spin-valve

    SciTech Connect (OSTI)

    Tang, Ling Yang, Zejin

    2013-11-21

    The spin-transfer torque (STT) in Co{sub 2}MnSi(CMS)/Al/Co{sub 2}MnSi spin-valve system with and without interfacial disorder is studied by a first-principles noncollinear wave-function-matching method. It is shown that in the case of clean interface the angular dependence of STT for CoCo/Al (the asymmetry parameter Λ≈4.5) is more skewed than that for MnSi/Al (Λ≈2.9), which suggests the clean CoCo/Al architecture is much more efficient for the application on radio frequency oscillation. We also find that even with interfacial disorder the spin-valve of half-metallic CMS still has a relatively large parameter Λ compared to that of conventional ferromagnet. In addition, for clean interface the in-plane torkance of MnSi/Al is about twice as large as that of CoCo/Al. However, as long as the degree of interfacial disorder is sufficiently large, the CoCo/Al and MnSi/Al will show approximately the same magnitude of in-plane torkance. Furthermore, our results demonstrate that CMS/Al/CMS system has very high efficiency of STT to switch the magnetic layer of spin-valve.

  7. X-Ray Spectroscopy of the Mn(4) Ca Cluster in the Water-Oxidation...

    Office of Scientific and Technical Information (OSTI)

    Ca Cluster in the Water-Oxidation Complex of Photosystem II Citation Details In-Document Search Title: X-Ray Spectroscopy of the Mn(4) Ca Cluster in the Water-Oxidation Complex ...

  8. File:USDA-CE-Production-GIFmaps-MN.pdf | Open Energy Information

    Open Energy Info (EERE)

    MN.pdf Jump to: navigation, search File File history File usage Minnesota Ethanol Plant Locations Size of this preview: 776 600 pixels. Full resolution (1,650 1,275...

  9. Magnetocaloric effect of Pr2Fe17-x Mn x alloys (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Title: Magnetocaloric effect of Pr2Fe17-x Mn x alloys Authors: Zhong, Xi-Chun ; Liu, Zhong-Wu ; Zeng, De-Chang ; Gschneidner, Karl A. ; Pecharsky, Vitalij K. Publication Date: ...

  10. Modeling and Characterization of the Magnetocaloric Effect in Ni2MnGa Materials

    SciTech Connect (OSTI)

    Nicholson, Don M; Odbadrakh, Khorgolkhuu; Rios, Orlando; Hodges, Jason P; Ludtka, Gerard Michael; Porter, Wallace D; Sefat, A. S.; Rusanu, Aurelian; Evans III, Boyd Mccutchen

    2012-01-01

    Magnetic shape memory alloys have great promise as magneto-caloric effect refrigerant materials due to their combined magnetic and structural transitions. Computational and experimental research is reported on the Ni2MnGa material system. The magnetic states of this system have been explored using the Wang-Landau statistical approach in conjunction with the Locally Self-consistent Multiple-Scattering (LSMS) method to explore the magnetic states responsible for the magnet-caloric effect in this material. The effects of alloying agents on the transition temperatures of the Ni2MnGa alloy were investigated using differential scanning calorimetry (DSC) and superconducting quantum interference device (SQUID). Neutron scattering experiments were performed to observe the structural and magnetic phase transformations at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) on alloys of Ni-Mn-Ga and Ni-Mn-Ga-Cu-Fe. Data from the observations are discussed in comparison with the computational studies.

  11. In-situ Electrical Conductivity of LixMnO2 Nanowires as a Function...

    Office of Scientific and Technical Information (OSTI)

    of LixMnO2 Nanowires as a Function of "x" and Size Authors: Le, Mya ; Liu, Yu ; Wang, Hui ; Dutta, Rajen ; Yan, Wenbo ; Hemminger, John C ; Wu, Ruqian ; Penner, Reginald...

  12. Enhanced magnetic hysteresis in Ni-Mn-Ga single crystal and its...

    Office of Scientific and Technical Information (OSTI)

    crystal and its influence on magnetic shape memory effect Citation Details In-Document Search Title: Enhanced magnetic hysteresis in Ni-Mn-Ga single crystal and its influence on ...

  13. Effect of Mn substitution on the transport properties of co-sputtered...

    Office of Scientific and Technical Information (OSTI)

    on the transport properties of co-sputtered Fesub 3-xMnsub xSi epilayers Citation Details In-Document Search Title: Effect of Mn substitution on the transport properties of ...

  14. Spectroscopic properties of (PVA+ZnO):Mn{sup 2+} polymer films

    SciTech Connect (OSTI)

    Rani, Ch.; Raju, D. Siva; Bindu, S. Hima; Krishna, J. Suresh; Raju, Ch. Linga

    2015-05-15

    Electron Paramagnetic Resonance (EPR), optical absorption and infrared spectral studies have been carried out on Mn{sup 2+} ions doped in poly(vinyl alcohol) complexed with zinc oxide polymer films prepared by solution cast technique. The EPR spectra of 1 mol% Mn{sup 2+} ions doped polymer complex (PVA+ZnO) at room temperature exhibit sextet hyperfine structure (hfs), centered at 2.01. The spin-Hamiltonian parameter values indicate that the ground state of Mn{sup 2+} ion in d{sup 5} and the site symmetry around Mn{sup 2+} ions in tetragonally distorted octa hedral site. The optical absorption spectra exhibits two bands centered at 275nm at 437nm. The FTIR spectrum exhibits bands characteristic of stretching and banding vibrations of O-H, C-H and C=C groups.

  15. In operando X-ray studies of the conversion reaction in Mn3O4...

    Office of Scientific and Technical Information (OSTI)

    operando X-ray studies of the conversion reaction in Mn3O4 lithium battery anodes Citation Details In-Document Search Title: In operando X-ray studies of the conversion reaction in ...

  16. Electrochemical Performances of LiMnPO4 Synthesized from Non...

    Office of Scientific and Technical Information (OSTI)

    Li1.1MnPO4 exhibits the most stable cycling ability probably because of the existence of a trace amount of Li3PO4 impurity that functions as a solid-state electrolyte on...

  17. Synthesis and characterization of MnPS{sub 3} for hydrogen sorption

    SciTech Connect (OSTI)

    Ismail, N.; Temerk, Y.M.; El-Meligi, A.A.; Badr, M.A.; Madian, M.

    2010-05-15

    Single phase MnPS{sub 3} powder was prepared by solid state reaction between Mn, S and P carried out at 650 deg. C in evacuated silica tube. The structure, morphology and sorption characteristics of the prepared solid were investigated. The results revealed that the obtained MnPS{sub 3} compound was capable of adsorbing 3.5 wt% hydrogen at -193 deg. C and a pressure of 30 bar. Little amount of hydrogen (0.07 wt%) was adsorbed at room temperature. The hydrogen adsorption/desorption cycles at various temperatures did not result in irreversible chemical structural changes of the MnPS{sub 3} compound, but the microstructure after hydrogen cycling diminished and became finer. - Graphical abstract: Atomic building of MPS{sub 3}

  18. Large magneto-optical Kerr effect in noncollinear antiferromagnets Mn 3 X (

    Office of Scientific and Technical Information (OSTI)

    X = Rh , Ir , Pt ) (Journal Article) | SciTech Connect Large magneto-optical Kerr effect in noncollinear antiferromagnets Mn 3 X ( X = Rh , Ir , Pt ) Citation Details In-Document Search This content will become publicly available on October 25, 2016 Title: Large magneto-optical Kerr effect in noncollinear antiferromagnets Mn 3 X ( X = Rh , Ir , Pt ) Authors: Feng, Wanxiang ; Guo, Guang-Yu ; Zhou, Jian ; Yao, Yugui ; Niu, Qian Publication Date: 2015-10-26 OSTI Identifier: 1224360

  19. Phase stability of the SrMnO[subscript 3] hexagonal perovskite system at

    Office of Scientific and Technical Information (OSTI)

    high pressure and temperature (Journal Article) | SciTech Connect stability of the SrMnO[subscript 3] hexagonal perovskite system at high pressure and temperature Citation Details In-Document Search Title: Phase stability of the SrMnO[subscript 3] hexagonal perovskite system at high pressure and temperature Authors: Nielsen, Morten Bormann ; Ceresoli, Davide ; Parisiades, Paraskevas ; Prakapenka, Vitali B. ; Yu, Tony ; Wang, Yanbin ; Bremholm, Martin [1] ; UC) [2] ; ESRF) [2] ; CNR-INFM) [2]

  20. Understanding the Structural and Electronic Evolution of Li2MnO3 During

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Electron Irradiation Via Electron Microscopy - Joint Center for Energy Storage Research November 17, 2014, Research Highlights Understanding the Structural and Electronic Evolution of Li2MnO3 During Electron Irradiation Via Electron Microscopy In-situ electron beam irradiation induces localized pockets of damage (a) and (b) characterized by the Mn atoms migrating to occupy Li sites, as shown in the annular bright field image of (c). This effect is clearly visible in an intensity line profile

  1. Verification of Anderson superexchange in MnO via magnetic pair

    Office of Scientific and Technical Information (OSTI)

    distribution function analysis and ab initio theory (Journal Article) | SciTech Connect Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory Citation Details In-Document Search This content will become publicly available on May 11, 2017 Title: Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory Here, we present a temperature-dependent atomic and magnetic pair

  2. The role of C and Mn at the austenite/pearlite reaction front during non-steady-state pearlite growth in a Fe-C-Mn steel

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Aranda, M. M.; Rementeria, R.; Poplawsky, Jonathan D.; Urones-Garrote, E.; Capdevila, Carlos

    2015-04-18

    The role of C and Mn during the growth of pearlite under non-steady state conditions is analyzed by comparing the phase compositions of austenite, ferrite and cementite (γ+α+θ) through the use of transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS), and atom probe tomography (APT) measurements across the austenite/pearlite interface. Furthermore, a local Mn enrichment and C depletion at the austenite/pearlite interface has been measured, which causes a change in the driving force with time during divergent pearlite growth.

  3. The structure of the Caenorhabditis elegans manganese superoxide dismutase MnSOD-3-azide complex

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hunter, Gary J.; Trinh, Chi H.; Bonetta, Rosalin; Stewart, Emma E.; Cabelli, Diane E.; Hunter, Therese

    2015-08-27

    C. elegans MnSOD-3 has been implicated in the longevity pathway and its mechanism of catalysis is relevant to the aging process and carcinogenesis. The structures of MnSOD-3 provide unique crystallographic evidence of a dynamic region of the tetrameric interface (residues 41–54). We have determined the structure of the MnSOD-3-azide complex to 1.77-Å resolution. The analysis of this complex shows that the substrate analog, azide, binds end-on to the manganese center as a sixth ligand and that it ligates directly to a third and new solvent molecule also positioned within interacting distance to the His30 and Tyr34 residues of the substratemore » access funnel. This is the first structure of a eukaryotic MnSOD-azide complex that demonstrates the extended, uninterrupted hydrogen-bonded network that forms a proton relay incorporating three outer sphere solvent molecules, the substrate analog, the gateway residues, Gln142, and the solvent ligand. This configuration supports the formation and release of the hydrogen peroxide product in agreement with the 5-6-5 catalytic mechanism for MnSOD. The high product dissociation constant k₄ of MnSOD-3 reflects low product inhibition making this enzyme efficient even at high levels of superoxide.« less

  4. Hydrothermal synthesis of Mn vanadate nanosheets and visible-light photocatalytic performance for the degradation of methyl blue

    SciTech Connect (OSTI)

    Pei, L.Z. Xie, Y.K.; Pei, Y.Q.; Jiang, Y.X.; Yu, H.Y.; Cai, Z.Y.

    2013-07-15

    Graphical abstract: - Highlights: Mn vanadate nanosheets have been synthesized by simple hydrothermal process. The formation of Mn vanadate nanosheets can be controlled by growth conditions. Mn vanadate nanosheets exhibit good photocatalytic activities for methyl blue. - Abstract: Mn vanadate nanosheets have been synthesized via a facile hydrothermal route using ammonium metavanadate and Mn acetate as the raw materials, polyvinyl pyrrolidone (PVP) as the surfactant. X-ray diffraction (XRD) shows that the Mn vanadate nanosheets are composed of monoclinic MnV{sub 2}O{sub 6} phase. Scanning electron microscopy (SEM) observation indicates that the nanosheets have the average thickness of about 50 nm, length of 210 ?m and width of 800 nm to 2 ?m. The growth process of the Mn vanadate nanosheets has also been discussed based on the analysis of the roles of the growth conditions on the formation of the Mn vanadate nanosheets. The nanosheets show good photocatalytic activities for the degradation of methylene blue (MB) under visible light irradiation. About 72.96% MB can be degraded after visible light irradiation for 1 h over 10 mg Mn vanadate nanosheets in 10 mL MB solution with the concentration of 10 mg L{sup ?1}.

  5. File:USDA-CE-Production-GIFmaps-MS.pdf | Open Energy Information

    Open Energy Info (EERE)

    MS.pdf Jump to: navigation, search File File history File usage Mississippi Ethanol Plant Locations Size of this preview: 776 600 pixels. Full resolution (1,650 1,275...

  6. Ms Linda Cerrone | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Prior to her employment with DOE, Ms. Cerrone served 13 years with Mason & Hanger-Silas ... manager with Scurlock-Permian Corporation (formerly the Permian Corporation) for 11 years. ...

  7. WSRC-MS-94-0605 Wall Thinning Acceptance Criteria for Degraded...

    Office of Scientific and Technical Information (OSTI)

    WSRC-MS-94-0605 Wall Thinning Acceptance Criteria for Degraded Carbon Steel Piping Systems Using FAD Methodology (U) by P. S. Lam Westinghouse Savannah River Company Savannah River ...

  8. Training is sponsoring two MS PowerPoint Courses. The course...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Training is sponsoring two MS PowerPoint Courses. The course options feature level 1 and level 2. This email is to gauge interest. The associated cost per class is 200.00. If...

  9. Ms. Judy Clayton, Chair Paducah Citizens Advisory Board EHI Consultants, Inc.

    Office of Environmental Management (EM)

    0 Ms. Judy Clayton, Chair Paducah Citizens Advisory Board EHI Consultants, Inc. 1 1 1 Memorial Drive Paducah, Kentucky 4200 1 Dear Ms. Clayton: Thank you for your recent letter providing a recommendation to include option periods in Department of Energy Requests for Proposals for prime contracts. The Federal Acquisition Regulation (FAR) provides the total of the basic and option period of a contract for services shall not exceed 5 years, unless approved in accordance with agency procedures. In

  10. Mr. Christopher Lawrence and Ms. Julie Smith Office of Electricity Delivery and Energy Reliability

    Energy Savers [EERE]

    Mr. Christopher Lawrence and Ms. Julie Smith Office of Electricity Delivery and Energy Reliability Mail Code: OE-20 U.S. Department of Energy 1000 Independence Avenue, SW Washington, D.C. 20585 Dear Mr. Lawrence and Ms. Smith, The Western Governors' Association (WGA) is submitting these comments in response to the Department of Energy's (DOE) Request for Information (RFI), dated August 29, 2013 1 . The RFI outlines a proposed process to establish a coordinated series of meetings and other

  11. Ms. Brenda Edwards U.S. Department of Energy, Buildings Technology Program

    Energy Savers [EERE]

    8, 2013 Ms. Brenda Edwards U.S. Department of Energy, Buildings Technology Program Mail Stop EE-2J 1000 Independence Ave. SW Washington DC 20585-0121 RE: Revisions to Energy Efficiency Enforcement Regulations EERE-2011-BT-TD- 0005 Dear Ms. Edwards: The National Marine Manufacturers Association (NMMA) appreciates the opportunity to respond to the Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy's request for information published in the Federal Register (78 Fed. Reg.

  12. Ms. Julie A. Smith Mr. Christopher Lawrence Office of Electricity Delivery and Energy Reliability

    Energy Savers [EERE]

    October 30, 2013 Ms. Julie A. Smith Mr. Christopher Lawrence Office of Electricity Delivery and Energy Reliability Mail Code: OE-20 U.S. Department of Energy 1000 Independence Avenue, SW Washington, DC 20585 Dear Ms. Smith and Mr. Lawrence: The Association of Fish and Wildlife Agencies (AFWA) would like to provide comments on the Federal Register Notice Request for Information (RFI) on Improving Performance of Federal Permitting and Review of Infrastructure Projects, Federal Register Document

  13. Inverse magnetocaloric effect in Mn{sub 2}NiGa and Mn{sub 1.75}Ni{sub 1.25}Ga magnetic shape memory alloys

    SciTech Connect (OSTI)

    Singh, Sanjay Barman, S. R.; Esakki Muthu, S.; Arumugam, S.; Senyshyn, A.; Rajput, P.; Suard, E.

    2014-02-03

    Inverse magnetocaloric effect is demonstrated in Mn{sub 2}NiGa and Mn{sub 1.75}Ni{sub 1.25}Ga magnetic shape memory alloys. The entropy change at the martensite transition is larger in Mn{sub 1.75}Ni{sub 1.25}Ga, and it increases linearly with magnetic field in both the specimens. Existence of inverse magnetocaloric effect is consistent with the observation that magnetization in the martensite phase is smaller than the austenite phase. Although the Mn content is smaller in Mn{sub 1.75}Ni{sub 1.25}Ga, from neutron diffraction, we show that the origin of inverse magnetocaloric effect is the antiferromagnetic interaction between the Mn atoms occupying inequivalent sites.

  14. Synthesis of spherical LiMnPO{sub 4}/C composite microparticles

    SciTech Connect (OSTI)

    Bakenov, Zhumabay; Taniguchi, Izumi

    2011-08-15

    Highlights: {yields} We could prepare LiMnPO{sub 4}/C composites by a novel preparation method. {yields} The LiMnPO{sub 4}/C composites were spherical particles with a mean diameter of 3.65 {mu}m. {yields} The LiMnPO{sub 4}/C composite cathode exhibited 112 mAh g{sup -1} at 0.05 C. {yields} It also showed a good rate capability up to 5 C at room temperature and 55 {sup o}C. -- Abstract: Spherical LiMnPO{sub 4}/C composite microparticles were prepared by a combination of spray pyrolysis and spray drying followed by heat treatment and examined as a cathode material for lithium batteries. The structure, morphology and electrochemical performance of the resulting spherical LiMnPO{sub 4}/C microparticles were characterized by X-ray diffraction, field-emission scanning electron microscopy, transmission electronic microscopy and standard electrochemical techniques. The final sample was identified as a single phase orthorhombic structure of LiMnPO{sub 4} and spherical powders with a geometric mean diameter of 3.65 {mu}m and a geometric standard deviation of 1.34. The electrochemical cells contained the spherical LiMnPO{sub 4}/C microparticles exhibited first discharge capacities of 112 and 130 mAh g{sup -1} at 0.05 C at room temperature and 55 {sup o}C, respectively. These also showed a good rate capability up to 5 C at room temperature and 55 {sup o}C.

  15. Electron scattering mechanisms in Cu-Mn films for interconnect applications

    SciTech Connect (OSTI)

    Misjk, F.; Nagy, K. H.; Radnczi, G.; Lobotka, P.

    2014-08-28

    Electrical properties and corresponding structural features of Cu-Mn alloy films with potential application as barrier and interconnect layers were studied. Cu-Mn films were deposited by DC magnetron sputtering at room temperature on SiO{sub 2} substrates. Electrical resistivity measurements were made as a function of film composition and temperature. The specific resistivity varies linearly with the Mn content showing a maximum of 205???cm at 80 at. % Mn. The temperature coefficient of resistance (TCR) of all alloy films is low, showing non-metallic conductivity for most compositions. Also a minimum TCR has been observed in the 4080 at. % Mn range which was attributed to a magnetic transformation around 200300?K. Electrical resistivity measurements are correlated with the film structure revealed by transmission electron microscopy to clarify the phase regions throughout the composition range. In the 2040 at. % and 7080 at. % Mn ranges, two-phase structures were identified, where Cu- or Mn-rich solid solution grains were surrounded by a thin amorphous covering layer. Based on the revealed phase regions and morphologies electron scattering mechanisms in the system were evaluated by combining the Matthiessen's rule and the Mayadas-Schatzkes theory. Grain boundary reflectivity coefficients (r?=?0.60.8) were calculated from fitting the model to the measurements. The proposed model indicates that, in a binary system, the special arrangement of the two phases results in new scattering mechanisms. The results are of value in optimizing the various parameters needed to produce a suitable barrier layer.

  16. Properties of Ga{sub 1-x}Mn{sub x}As with high x (>0.1)

    SciTech Connect (OSTI)

    Chiba, D.; Yu, K. M.; Walukiewicz, W.; Nishitani, Y.; Matsukura, F.; Ohno, H.

    2008-04-01

    We have investigated the magnetic and the crystalline properties of a set of Ga{sub 1-x}Mn{sub x}As layers with high nominal Mn compositions (x=0.101-0.198). Magnetization measurements and combined channeling Rutherford backscattering (c-RBS) and particle induced x-ray emission (c-PIXE) measurements have been performed to determine the effective Mn composition x{sub eff} and the fraction of Mn atoms at various lattice sites. Here, x{sub eff} determined from magnetization measurements, which increases with increasing x, is consistent with the results determined from c-RBS-PIXE measurements.

  17. Mn-Stabilized Zirconia: From Imitation Diamonds to a New Potential High-T{sub C} Ferromagnetic Spintronics Material

    SciTech Connect (OSTI)

    Ostanin, S.; Ernst, A.; Sandratskii, L. M.; Bruno, P.; Daene, M.; Hergert, W.; Mertig, I.; Hughes, I. D.; Staunton, J. B.; Kudrnovsky, J.

    2007-01-05

    From the basis of ab initio electronic structure calculations which include the effects of thermally excited magnetic fluctuations, we predict Mn-stabilized cubic zirconia to be ferromagnetic above 500 K. We find this material, which is well known both as an imitation diamond and as a catalyst, to be half-metallic with the majority and minority spin Mn impurity states lying in zirconia's wide gap. The Mn concentration can exceed 40%. The high-T{sub C} ferromagnetism is robust to oxygen vacancy defects and to how the Mn impurities are distributed on the Zr fcc sublattice. We propose this ceramic as a promising future spintronics material.

  18. Peculiarly strong room-temperature ferromagnetism from low Mn-doping in ZnO grown by molecular beam epitaxy

    SciTech Connect (OSTI)

    Zuo Zheng; Morshed, Muhammad; Liu Jianlin; Beyermann, W. P.; Zheng Jianguo; Xin Yan

    2013-03-15

    Strong room-temperature ferromagnetism is demonstrated in single crystalline Mn-doped ZnO thin films grown by molecular beam epitaxy. Very low Mn doping concentration is investigated, and the measured magnetic moment is much larger than what is expected for an isolated ion based on Hund's rules. The ferromagnetic behavior evolves with Mn concentration. Both magnetic anisotropy and anomalous Hall effect confirm the intrinsic nature of ferromagnetism. While the Mn dopant plays a crucial role, another entity in the system is needed to explain the observed large magnetic moments.

  19. Enhanced ferromagnetic order in Sr{sub 4}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} featuring canted [MnO{sub 4}]{sub ∞} spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr{sub 4−x}Ln{sub x}Mn{sup III}{sub 2+x}Mn{sup IV}{sub 1−x}O{sub 3}(GeO{sub 4}){sub 3} solid-solution

    SciTech Connect (OSTI)

    West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh

    2013-10-15

    Crystals of Sr{sub 4−x}Ln{sub x}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} (x=0; x∼0.15 for Ln=La, Pr, Nd, Sm. Eu, Gd, Dy; x∼0.3 for Ln=Gd) were isolated upon using high-temperature, solid-state methods in molten-salt media. These compounds are isostructural with the previously reported Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3} (Ln=La, Sm, Gd) series that contains the same [MnO{sub 4}]{sub ∞} spin chains. The synthesis of the Sr{sub 4}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} (x=0) phase was carried out by a double aliovalent substitution with respect to the Sr{sup 2+} and Ge{sup 4+} ions that replace Na{sup +}/Ln{sup 3+} and As{sup 5+} in Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3}, respectively. The title series contains mixed-valent Mn(III)/Mn(IV) and shows a limited range of solid solution, both of which were not observed in the previously reported Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3} series. To form the Sr{sub 4−x}Ln{sub x}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} solid solution, one of the Sr{sup 2+} sites, i.e., the original Ln-site in Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3}, is partially substituted by Ln{sup 3+} in a statistical disorder of Sr{sub 1−x}/Ln{sub x}. Initial magnetic investigations of selected derivatives reveal higher ferromagnetic ordering temperatures than those reported for the Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3} series, presumably attributed to a lesser degree of canting as a result of introducing non-Jahn–Teller Mn{sup 4+} ions. Also intriguing is the observation of multiple anomalies at low temperatures which appear to be of electronic origins. - Graphical abstract: Sr{sub 4−x}Ln{sub x}Mn(III){sub 2+x}Mn(IV){sub 1−x}O{sub 3}(GeO{sub 4}){sub 3}. Display Omitted - Highlights: • Double aliovalent substitution: Sr{sub 4}Mn{sub 3}O{sub 3}(GeO{sub 4}){sub 3} with respect to Na{sub 3}LnMn{sub 3}O{sub 3}(AsO{sub 4}){sub 3}. • Solid solution with respect to statistical disorder of Sr{sub 1−x}Ln{sub x} in one of the two Sr sites. • Mn{sup 3+}/Mn{sup 4+} magnetic ions are spatially arranged in a triangular kagomé fashion. • Enhanced ferromagnetic ordering attributed to doping non-Jahn–Teller Mn{sup 4+}.

  20. Comparison of LiMnPO4 made by Combustion and Hydrothermal Syntheses

    SciTech Connect (OSTI)

    Chen, Jiajun; Doeff, Marca M.; Wang, Ruigang

    2008-05-15

    Among the olivine-structured metal phosphate family, LiMnPO{sub 4} exhibits a high discharge potential (4V), which is still compatible with common electrolytes, making it interesting for use in the next generation of Li ion batteries. The extremely low electronic conductivity of this material severely limits its electrochemical performance, however. One strategy to overcome this limitation is to make LiMnPO{sub 4} nanoparticulate to decrease the diffusion distance. Another is to add a carbon or other conductive coating in intimate contact with the nanoparticles of the main phase, as is commonly done with LiFePO{sub 4}. The electrochemical performance of LiFePO{sub 4} is highly dependent on the quality of the carbon coatings on the particles [1-2], among other variables. Combustion synthesis allows the co-synthesis of nanoparticles coated with carbon in one step. Hydrothermal synthesis is used industrially to make LiFePO{sub 4} cathode materials [3] and affords a good deal of control over purity, crystallinity, and particle size. A wide range of olivine-structured materials has been successfully prepared by this technique [4], including LiMnPO{sub 4} in this study. In this paper, we report on the new synthesis of nano-LiMnPO{sub 4} by a combustion method. The purity is dependent upon the conditions used for synthesis, including the type of fuel and precursors that are chosen. The fuel to nitrate ratio influences the combustion temperature, which determines the type and amount of carbon found in the LiMnPO{sub 4} composites. This can further be modified by use of carbon structural modifiers added during a subsequent (optional) calcination step. Figure 1 shows a transmission electron microscopy (TEM) image of the spherical nano-sized LiMnPO{sub 4} particles typically formed by combustion synthesis. The average particle size is around 30 nm, in agreement with values obtained by the Rietveld refinement of XRD patterns. The small size of the particles cause the peak broadening evident in the pattern of combustion formed LiMnPO{sub 4}, shown in Figure 2. Figure 2 also shows a pattern of hydrothermally prepared LiMnPO{sub 4}, which is sub-micron in size. In this presentation, we will show how the crystallographic parameters, particle size, particle morphology, and carbon content and structure impact the electrochemical properties of the LiMnPO{sub 4}/C composites produced by these methods.

  1. Comparison of LiMnPO4 made by Combustion and Hydrothermal Syntheses

    SciTech Connect (OSTI)

    Chen, Jiajun; Doeff, Marca M.; Wang, Ruigang

    2008-10-12

    Among the olivine-structured metal phosphate family, LiMnPO{sub 4} exhibits a high discharge potential (4V), which is still compatible with common electrolytes, making it interesting for use in the next generation of Li ion batteries. The extremely low electronic conductivity of this material severely limits its electrochemical performance, however. One strategy to overcome this limitation is to make LiMnPO{sub 4} nanoparticulate to decrease the diffusion distance. Another is to add a carbon or other conductive coating in intimate contact with the nanoparticles of the main phase, as is commonly done with LiFePO{sub 4}. The electrochemical performance of LiFePO{sub 4} is highly dependent on the quality of the carbon coatings on the particles, among other variables. Combustion synthesis allows the co-synthesis of nanoparticles coated with carbon in one step. Hydrothermal synthesis is used industrially to make LiFePO{sub 4} cathode materials and affords a good deal of control over purity, crystallinity, and particle size. A wide range of olivine-structured materials has been successfully prepared by this technique, including LiMnPO{sub 4} in this study. In this paper, we report on the new synthesis of nano-LiMnPO{sub 4} by a combustion method. The purity is dependent upon the conditions used for synthesis, including the type of fuel and precursors that are chosen. The fuel to nitrate ratio influences the combustion temperature, which determines the type and amount of carbon found in the LiMnPO{sub 4} composites. This can further be modified by use of carbon structural modifiers added during a subsequent (optional) calcination step. Figure 1 shows a transmission electron microscopy (TEM) image of the spherical nano-sized LiMnPO{sub 4} particles typically formed by combustion synthesis. The average particle size is around 30 nm, in agreement with values obtained by the Rietveld refinement of XRD patterns. The small size of the particles cause the peak broadening evident in the pattern of combustion formed LiMnPO{sub 4}, shown in Figure 2. Figure 2 also shows a pattern of hydrothermally prepared LiMnPO{sub 4}, which is sub-micron in size. In this presentation, we will show how the crystallographic parameters, particle size, particle morphology, and carbon content and structure impact the electrochemical properties of the LiMnPO{sub 4}/C composites produced by these methods.

  2. Disorder dependent half-metallicity in Mn{sub 2}CoSi inverse Heusler alloy

    SciTech Connect (OSTI)

    Singh, Mukhtiyar; Saini, Hardev S.; Thakur, Jyoti; Reshak, Ali H.; Kashyap, Manish K.

    2013-12-15

    Heusler alloys based thin-films often exhibit a degree of atomic disorder which leads to the lowering of spin polarization in spintronic devices. We present ab-initio calculations of atomic disorder effects on spin polarization and half-metallicity of Mn{sub 2}CoSi inverse Heusler alloy. The five types of disorder in Mn{sub 2}CoSi have been proposed and investigated in detail. The A2{sub a}-type and B2-type disorders destroy the half-metallicity whereas it sustains for all disorders concentrations in DO{sub 3a}- and A2{sub b}-type disorder and for smallest disorder concentration studied in DO{sub 3b}-type disorder. Lower formation energy/atom for A2{sub b}-type disorder than other four disorders in Mn{sub 2}CoSi advocates the stability of this disorder. The total magnetic moment shows a strong dependence on the disorder and the change in chemical environment. The 100% spin polarization even in the presence of disorders explicitly supports that these disorders shall not hinder the use of Mn{sub 2}CoSi inverse Heusler alloy in device applications. - Graphical abstract: Minority-spin gap (E{sub g↓}) and HM gap (E{sub sf}) as a function of concentrations of various possible disorder in Mn{sub 2}CoSi inverse Heusler alloy. The squares with solid line (black color)/dotted line (blue color)/dashed line (red color) reperesents E{sub g↓} for DO{sub 3a}-/DO{sub 3b}-/A2{sub b}-type disorder in Mn{sub 2}CoSi and the spheres with solid line (black color)/dottedline (blue color)/dashed line (red color) represents E{sub sf} for DO{sub 3a}-/DO{sub 3b}-/A2{sub b}-type disorder in Mn{sub 2}CoSi. - Highlights: • The DO{sub 3}- and A2-type disorders do not affect the half-metallicity in Mn{sub 2}CoSi. • The B2-type disorder solely destroys half-metallicity in Mn{sub 2}CoSi. • The A2-type disorder most probable to occur out of all three types. • The total spin magnetic moment strongly depends on the disorder concentrations.

  3. Novel Solar Energy Conversion Materials by Design of Mn(II) Oxides

    SciTech Connect (OSTI)

    Lany, S.; Peng, H.; Ndione, P.; Zakutayev, A.; Ginley, D. S.

    2013-01-01

    Solar energy conversion materials need to fulfill simultaneously a number of requirements in regard of their band-structure, optical properties, carrier transport, and doping. Despite their desirable chemical properties, e.g., for photo-electrocatalysis, transition-metal oxides usually do not have desirable semiconducting properties. Instead, oxides with open cation d-shells are typically Mott or charge-transfer insulators with notoriously poor transport properties, resulting from large effective electron/hole masses or from carrier self-trapping. Based on the notion that the electronic structure features (p-d interaction) supporting the p-type conductivity in d10 oxides like Cu2O and CuAlO2 occurs in a similar fashion also in the d5 (high-spin) oxides, we recently studied theoretically the band-structure and transport properties of the prototypical binary d5 oxides MnO and Fe2O3 [PRB 85, 201202(R)]. We found that MnO tends to self-trap holes by forming Mn+III, whereas Fe2O3 self-traps electrons by forming Fe+II. However, the self-trapping of holes is suppressed by when Mn is tetrahedrally coordinated, which suggests specific routes to design novel solar conversion materials by considering ternary Mn(II) oxides or oxide alloys. We are presenting theory, synthesis, and initial characterization for these novel energy materials.

  4. Extended magnetic exchange interactions in the high-temperature ferromagnet MnBi

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Christianson, Andrew D.; Hahn, Steven E.; Fishman, Randy Scott; Parker, David S.; McGuire, Michael A.; Sales, Brian C.; Lumsden, Mark D.; Williams, T. J.; Taylor, A. E.

    2016-05-09

    Here, the high-temperature ferromagnet MnBi continues to receive attention as a candidate to replace rare-earth-containing permanent magnets in applications above room temperature. This is due to a high Curie temperature, large magnetic moments, and a coercivity that increases with temperature. The synthesis of MnBi also allows for crystals that are free of interstitial Mn, enabling more direct access to the key interactions underlying the physical properties of binary Mn-based ferromagnets. In this work, we use inelastic neutron scattering to measure the spin waves of MnBi in order to characterize the magnetic exchange at low temperature. Consistent with the spin reorientationmore » that occurs below 140~K, we do not observe a spin gap in this system above our experimental resolution. A Heisenberg model was fit to the spin wave data in order to characterize the long-range nature of the exchange. It was found that interactions up to sixth nearest neighbor are required to fully parameterize the spin waves. Surprisingly, the nearest-neighbor term is antiferromagnetic, and the realization of a ferromagnetic ground state relies on the more numerous ferromagnetic terms beyond nearest neighbor, suggesting that the ferromagnetic ground state arises as a consequence of the long-ranged interactions in the system.« less

  5. High-Resolution Structure of the Photosynthetic Mn4Ca Catalyst from X-ray Spectroscopy

    SciTech Connect (OSTI)

    Yachandra, Vittal; Yano, Junko; Kern, Jan; Pushkar, Yulia; Sauer, Kenneth; Glatzel, Pieter; Bergmann, Uwe; Messinger, Johannes; Zouni, Athina; Yachandra, Vittal K.

    2007-08-01

    The application of high-resolution X-ray spectroscopy methods to study the photosynthetic water oxidizing complex, which contains a unique hetero-nuclear catalytic Mn4Ca cluster, are described. Issues of X-ray damage especially at the metal sites in the Mn4Ca cluster are discussed. The structure of the Mn4Ca catalyst at high-resolution which has so far eluded attempts of determination by X-ray diffraction, EXAFS and other spectroscopic techniques has been addressed using polarized EXAFS techniques applied to oriented PS II membrane preparations and PS II single crystals. A review of how the resolution of traditional EXAFS techniques can be improved, using methods such as range-extended EXAFS is presented, and the changes that occur in the structure of the cluster as it advances through the catalytic cycle are described. X-ray absorption and emission techniques (XANES and K? emission) have been used earlier to determine the oxidation states of the Mn4Ca cluster, and in this report we review the use of X-ray resonant Raman spectroscopy to understand the electronic structure of the Mn4Ca cluster as it cycles through the intermediate S-states.

  6. Electronic structure and the origin of the Dzyaloshinskii-Moriya interaction in MnSi

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Satpathy, S.; Shanavas, K. V.

    2016-05-02

    Here, the metallic helimagnet MnSi has been found to exhibit skyrmionic spin textures when subjected to magnetic fields at low temperatures. The Dzyaloshinskii-Moriya (DM) interaction plays a key role in stabilizing the skyrmion state. With the help of first-principles calculations, crystal field theory and a tight-binding model we study the electronic structure and the origin of the DM interaction in the B20 phase of MnSi. The strength ofmore » $$\\vec{D}$$ parameter is determined by the magnitude of the spin-orbit interaction and the degree of orbital mixing, induced by the symmetry-breaking distortions in the B20 phase. We find that, strong coupling between Mn-$d$ and Si-$p$ states lead to a mixed valence ground state $$|d^{7-x}p^{2+x}\\rangle$$ configuration. The experimental magnetic moment of $$0.4~\\mu_B$$ is consistent with the Coulomb-corrected DFT+$U$ calculations, which redistributes electrons between the majority and minority spin channels. We derive the magnetic interaction parameters $J$ and $$\\vec{D}$$ for Mn-Si-Mn superexchange paths using Moriya's theory assuming the interaction to be mediated by $e_g$ electrons near the Fermi level. Using parameters from our calculations, we get reasonable agreement with the observations.« less

  7. Electronic structural and magnetic properties of Mn{sub 5}Ge{sub 3} clusters

    SciTech Connect (OSTI)

    Yuan, H. K.; Chen, H. Kuang, A. L.; Tian, C. L.; Wang, J. Z.

    2013-11-28

    Theoretical understanding of the stability, ferromagnetism, and spin polarization of Mn{sub 5}Ge{sub 3} clusters has been performed by using the density functional theory with generalized gradient approximation for exchange and correlation. The magnetic moments and magnetic anisotropy energy (MAE) have been calculated for both bulk and clusters, and the enhanced magnetic moment as well as the enlarged MAE have been identified in clusters. The most attractive achievement is that Mn{sub 5}Ge{sub 3} clusters show a fine half-metallic character with large energy scales. The present results may have important implications for potential applications of small Mn{sub 5}Ge{sub 3} clusters as both emerging spintronics and next-generation data-storage technologies.

  8. Elasticity and magnetocaloric effect in MnFe4Si3

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Herlitschke, Marcus; Klobes, B.; Sergueev, I.; Hering, Paul; Persson, Joerg; Hermann, Raphael P.

    2016-03-16

    The room temperature magnetocaloric material MnFe4Si3 was investigated with nuclear inelastic scattering (NIS) and resonant ultrasound spectroscopy (RUS) at different temperatures and applied magnetic fields in order to assess the infuence of the magnetic transition and the magnetocaloric effect on the lattice dynamics. The NIS data give access to phonons with energies above 3 meV, whereas RUS probes the elasticity of the material in the MHz frequency range and thus low energy, ~5 neV, phonon modes. A significant infuence of the magnetic transition on the lattice dynamics is observed only in the low energy region. Here, MnFe4Si3 and other compoundsmore » in the Mn5-xFexSi3 series were also investigated with vibrating sample magnetometry, resistivity measurements and Moessbauer spectroscopy in order to study the magnetic transitions and to complement the obtained results on the lattice dynamics.« less

  9. Anomalous magnetic configuration of Mn{sub 2}NiAl ribbon and the role of hybridization in the martensitic transformation of Mn{sub 50}Ni{sub 50−x}Al{sub x} ribbons

    SciTech Connect (OSTI)

    Zhao, R. B.; Zhao, D. W.; Li, G. K.; Ma, L. E-mail: houdenglu@mail.hebtu.edu.cn; Zhen, C. M.; Hou, D. L. E-mail: houdenglu@mail.hebtu.edu.cn; Wang, W. H.; Liu, E. K.; Chen, J. L.; Wu, G. H.

    2014-12-08

    The magnetic configuration of Mn{sub 2}NiAl ribbon has been investigated. In contrast to Ni{sub 2}MnAl, the compound Mn{sub 2}NiAl with considerable disorder does exhibit ferromagnetism and, due to exchange interaction competition, both ferromagnetic and antiferromagnetic moment orientations can coexist between nearest neighbor Mn atoms. This is unexpected in Heusler alloys. Regarding the mechanism of the martensitic transformation in Mn{sub 50}Ni{sub 50−x}Al{sub x}, it is found that increasing the Al content results in an unusual change in the lattice constant, a decrease of the transformation entropy change, and enhancement of the calculated electron localization. These results indicate that the p-d covalent hybridization between Mn (or Ni) and Al atoms gradually increases at the expense of the d-d hybridization between Ni and Mn atoms. This leads to an increased stability of the austenite phase and a decrease of the martensitic transformation temperature. For 11 ≤ x ≤ 14, Mn{sub 50}Ni{sub 50−x}Al{sub x} ferromagnetic shape memory alloys are obtained.

  10. Modeling and simulation of Red Teaming. Part 1, Why Red Team M&S?

    SciTech Connect (OSTI)

    Skroch, Michael J.

    2009-11-01

    Red teams that address complex systems have rarely taken advantage of Modeling and Simulation (M&S) in a way that reproduces most or all of a red-blue team exchange within a computer. Chess programs, starting with IBM's Deep Blue, outperform humans in that red-blue interaction, so why shouldn't we think computers can outperform traditional red teams now or in the future? This and future position papers will explore possible ways to use M&S to augment or replace traditional red teams in some situations, the features Red Team M&S should possess, how one might connect live and simulated red teams, and existing tools in this domain.

  11. Structural changes and thermal stability of charged LiNixMnyCozO2 cathode materials studied by combined in situ time-resolved XRD and mass spectroscopy

    SciTech Connect (OSTI)

    Bak, Seong -Min; Hu, Enyuan; Zhou, Yongning; Yu, Xiqian; Senanayake, Sanjaya D.; Cho, Sung -Jin; Kim, Kwang -Bum; Chung, Kyung Yoon; Yang, Xiao -Qing; Nam, Kyung -Wan

    2014-11-24

    Thermal stability of charged LiNixMnyCozO2 (NMC, with x + y + z = 1, x:y:z = 4:3:3 (NMC433), 5:3:2 (NMC532), 6:2:2 (NMC622), and 8:1:1 (NMC811)) cathode materials is systematically studied using combined in situ time- resolved X-ray diffraction and mass spectroscopy (TR-XRD/MS) techniques upon heating up to 600 C. The TR-XRD/MS results indicate that the content of Ni, Co, and Mn significantly affects both the structural changes and the oxygen release features during heating: the more Ni and less Co and Mn, the lower the onset temperature of the phase transition (i.e., thermal decomposition) and the larger amount of oxygen release. Interestingly, the NMC532 seems to be the optimized composition to maintain a reasonably good thermal stability, comparable to the low-nickel-content materials (e.g., NMC333 and NMC433), while having a high capacity close to the high-nickel-content materials (e.g., NMC811 and NMC622). The origin of the thermal decomposition of NMC cathode materials was elucidated by the changes in the oxidation states of each transition metal (TM) cations (i.e., Ni, Co, and Mn) and their site preferences during thermal decomposition. It is revealed that Mn ions mainly occupy the 3a octahedral sites of a layered structure (R3?m) but Co ions prefer to migrate to the 8a tetrahedral sites of a spinel structure (Fd3m) during the thermal decomposition. Such element-dependent cation migration plays a very important role in the thermal stability of NMC cathode materials. The reasonably good thermal stability and high capacity characteristics of the NMC532 composition is originated from the well-balanced ratio of nickel content to manganese and cobalt contents. As a result, this systematic study provides insight into the rational design of NMC-based cathode materials with a desired balance between thermal stability and high energy density.

  12. Structural Changes and Thermal Stability of Charged LiNix Mny CozO2 Cathode Materials Studied by Combined In Situ Time-Resolved XRD and Mass Spectroscopy

    SciTech Connect (OSTI)

    Bak, Seong-Min; Hu, Enyuan; Zhou, Yongning; Yu, Xiqian; Senanayake, Sanjaya D.; Cho, Sung-Jin; Kim, Kwang-Bum; Chung, Kyung Yoon; Yang, Xiao-Qing; Nam, Kyung-Wan

    2014-11-24

    Thermal stability of charged LiNixMnyCozO2 (NMC, with x + y + z = 1, x:y:z = 4:3:3 (NMC433), 5:3:2 (NMC532), 6:2:2 (NMC622), and 8:1:1 (NMC811)) cathode materials is systematically studied using combined in situ time- resolved X-ray diffraction and mass spectroscopy (TR-XRD/MS) techniques upon heating up to 600 C. The TR-XRD/MS results indicate that the content of Ni, Co, and Mn significantly affects both the structural changes and the oxygen release features during heating: the more Ni and less Co and Mn, the lower the onset temperature of the phase transition (i.e., thermal decomposition) and the larger amount of oxygen release. Interestingly, the NMC532 seems to be the optimized composition to maintain a reasonably good thermal stability, comparable to the low-nickel-content materials (e.g., NMC333 and NMC433), while having a high capacity close to the high-nickel-content materials (e.g., NMC811 and NMC622). The origin of the thermal decomposition of NMC cathode materials was elucidated by the changes in the oxidation states of each transition metal (TM) cations (i.e., Ni, Co, and Mn) and their site preferences during thermal decomposition. It is revealed that Mn ions mainly occupy the 3a octahedral sites of a layered structure (R3?-m) but Co ions prefer to migrate to the 8a tetrahedral sites of a spinel structure (Fd3-m) during the thermal decomposition. Such element-dependent cation migration plays a very important role in the thermal stability of NMC cathode materials. The reasonably good thermal stability and high capacity characteristics of the NMC532 composition is originated from the well-balanced ratio of nickel content to manganese and cobalt contents. This systematic study provides insight into the rational design of NMC-based cathode materials with a desired balance between thermal stability and high energy density.

  13. Enhanced performance of branched TiO{sub 2} nanorod based Mn-doped CdS and Mn-doped CdSe quantum dot-sensitized solar cell

    SciTech Connect (OSTI)

    Kim, Soo-Kyoung; Gopi, Chandu V. V. M.; Lee, Jae-Cheol; Kim, Hee-Je

    2015-04-28

    TiO{sub 2} branched nanostructures could be efficient as photoanodes for quantum dot-sensitized solar cells (QDSCs) due to their large surface area for QD deposition. In this study, Mn-doped CdS/Mn-doped CdSe deposited branched TiO{sub 2} nanorods were fabricated to enhance the photovoltaic performance of QDSCs. Mn doping in CdS and CdSe retards the recombination losses of electrons, while branched TiO{sub 2} nanorods facilitate effective electron transport and compensate for the low surface area of the nanorod structure. As a result, the charge-transfer resistance (R{sub CT}), electron lifetime (?{sub e}), and the amount of QD deposition were significantly improved with branched TiO{sub 2} nanorod based Mn-doped CdS/Mn-doped CdSe quantum dot-sensitized solar cell.

  14. Perpendicularly magnetized {tau}-MnAl (001) thin films epitaxied on GaAs

    SciTech Connect (OSTI)

    Nie, S. H.; Zhu, L. J.; Lu, J.; Pan, D.; Wang, H. L.; Yu, X. Z.; Xiao, J. X.; Zhao, J. H.

    2013-04-15

    Perpendicularly magnetized {tau}-MnAl films have been epitaxied on GaAs (001) by molecular-beam epitaxy. Crystalline quality and magnetic properties of the samples were strongly dependent on growth temperature. The highest coercivity of 10.7 kOe, saturation magnetization of 361.4 emu/cm{sup 3}, perpendicular magnetic anisotropy constant of 13.65 Merg/cm{sup 3}, and magnetic energy product of 4.44 MGOe were achieved. These tunable magnetic properties make MnAl films valuable as excellent and cost-effective alternative for not only high density perpendicular magnetic recording storage and spintronics devices but also permanent magnets.

  15. In operando X-ray studies of the conversion reaction in Mn3O4 lithium

    Office of Scientific and Technical Information (OSTI)

    battery anodes (Journal Article) | SciTech Connect operando X-ray studies of the conversion reaction in Mn3O4 lithium battery anodes Citation Details In-Document Search Title: In operando X-ray studies of the conversion reaction in Mn3O4 lithium battery anodes Authors: Lowe, Michael A. ; Gao, Jie ; Abruña, Héctor D. Publication Date: 2013-01-01 OSTI Identifier: 1080663 DOE Contract Number: SC0001086 Resource Type: Journal Article Resource Relation: Journal Name: J. Mater. Chem. A; Journal

  16. Magnetically nanostructured state in a Ni-Mn-Sn shape-memory alloy (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | DOE PAGES Publisher's Accepted Manuscript: Magnetically nanostructured state in a Ni-Mn-Sn shape-memory alloy This content will become publicly available on June 15, 2016 « Prev Next » Title: Magnetically nanostructured state in a Ni-Mn-Sn shape-memory alloy Authors: Yuan, S. ; Kuhns, P. L. ; Reyes, A. P. ; Brooks, J. S. ; Hoch, M. J. R. ; Srivastava, V. ; James, R. D. ; El-Khatib, S. ; Leighton, C. Publication Date: 2015-06-16 OSTI Identifier: 1184888 Grant/Contract Number:

  17. Magnetically nanostructured state in a Ni-Mn-Sn shape-memory alloy (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Magnetically nanostructured state in a Ni-Mn-Sn shape-memory alloy Citation Details In-Document Search This content will become publicly available on June 15, 2016 Title: Magnetically nanostructured state in a Ni-Mn-Sn shape-memory alloy Authors: Yuan, S. ; Kuhns, P. L. ; Reyes, A. P. ; Brooks, J. S. ; Hoch, M. J. R. ; Srivastava, V. ; James, R. D. ; El-Khatib, S. ; Leighton, C. Publication Date: 2015-06-16 OSTI Identifier: 1184888 Grant/Contract Number:

  18. Multiscale twin hierarchy in NiMnGa shape memory alloys with Fe and Cu

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | DOE PAGES Multiscale twin hierarchy in NiMnGa shape memory alloys with Fe and Cu This content will become publicly available on April 30, 2017 « Prev Next » Title: Multiscale twin hierarchy in NiMnGa shape memory alloys with Fe and Cu Authors: Barabash, Rozaliya I. ; Barabash, Oleg M. ; Popov, Dmitry ; Shen, Guoyin ; Park, Changyong ; Yang, Wenge Publication Date: 2015-04-01 OSTI Identifier: 1250957 Grant/Contract Number: FG02-99ER45775; NA0001974 Type: Publisher's

  19. Fabrication of (Mn,Co)3O4 Surface Coatings onto Alloy Substrates

    SciTech Connect (OSTI)

    Yang, Zhenguo; Xia, Guanguang; Li, Xiaohong S.; Singh, Prabhakar; Stevenson, Jeffry W.

    2007-04-30

    Ferritic stainless steels are promising candidates for IT-SOFC interconnect applications due to their low cost and resistance to oxidation at SOFC operating temperatures. However, several challenges remain, including long term electrical conductivity and surface stability under interconnect exposure conditions and chromia scale evaporation. One means of extending interconnect lifetime and improving performance is to apply a protective coating, such as (Mn,Co)3O4 spinel, to the cathode side of the interconnect. These coatings have proven effective in reducing scale growth kinetics and Cr volatility. This report describes several procedures developed at PNNL for fabricating (Mn,Co)3O4 spinel coatings onto ferritic stainless steels.

  20. Graphene in proximity to magnetic insulating LaMnO{sub 3}

    SciTech Connect (OSTI)

    Cheng, Guanghui; Wei, Laiming, E-mail: laiming@ustc.edu.cn, E-mail: cgzeng@ustc.edu.cn; Cheng, Long; Liang, Haixing; Zhang, Xiaoqiang; Li, Hui [Hefei National Laboratory for Physical Sciences at the Microscale (HFNL) and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Yu, Guolin [Shanghai Institute of Technical Physics, Chinese Academy of Science, Shanghai 200083 (China); Zeng, Changgan, E-mail: laiming@ustc.edu.cn, E-mail: cgzeng@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at the Microscale (HFNL) and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); International Center for Quantum Design of Functional Materials (ICQD), HFNL, University of Science and Technology of China, Hefei, Anhui 230026 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2014-09-29

    Proximity to functional substrates may enhance the coupling between the quantum degrees of freedom and thus develop nontrivial quantum effects in graphene. Here, we demonstrate the successful fabrication of graphene in proximity to atomically flat magnetic insulating LaMnO{sub 3} films. The insulating nature of the LaMnO{sub 3} films not only ensures the electronic transport only occur in the graphene layers but also allow them to serve as dielectric layers for gating. Transport measurements reveal anomalous behaviors, including asymmetrical longitudinal magnetoresistivity and nonlinear Hall effect. This work may pave a way toward the realization of intriguing quantum phases in graphene.

  1. DOE Zero Energy Ready Home Case Study: Amaris Custom Homes, St. Paul, MN |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Custom Homes, St. Paul, MN DOE Zero Energy Ready Home Case Study: Amaris Custom Homes, St. Paul, MN In this project, the NorthernSTAR Building America Partnership team worked with Amaris Custom Homes to develop the first Zero Energy Ready Home in Minnesota's cold climate using reasonable, cost-effective, and replicable construction materials and practices. The result is a passive solar, super-efficient 3542-ft2 walkout ranch-style home with all the creature comforts. PDF

  2. Study of structural and electronic properties of Mn{sub 3}O{sub 4}

    SciTech Connect (OSTI)

    Kaur, Ramandeep Maitra, Tulika Nautiyal, Tashi

    2014-04-24

    Using density functional theory calculations we have examined the structural and electronic properties of magnetic spinel Mn{sub 3}O{sub 4}. We have optimized the structure (both volume and c/a ratio) within GGA. Then Coulomb correlations are included in the calculations to study the electronic properties. We observe that both the band gap and magnetic moment increase with the increase in Coulomb correlation due to the increased Jahn-Teller splitting and localization of the single e{sub g} electron of Mn{sup 3+}.

  3. Structural transformations in Mn{sub 2}NiGa due to residual stress

    SciTech Connect (OSTI)

    Singh, Sanjay; Maniraj, M.; D'Souza, S. W.; Barman, S. R.; Ranjan, R.

    2010-02-22

    Powder x-ray diffraction study of Mn{sub 2}NiGa ferromagnetic shape memory alloy shows the existence of a 7M monoclinic modulated structure at room temperature (RT). The structure of Mn{sub 2}NiGa is found to be highly dependent on residual stress. For higher stress, the structure is tetragonal at RT, and for intermediate stress it is 7M monoclinic. However, only when the stress is considerably relaxed, the structure is cubic, as is expected at RT since the martensitic transition temperature is 230 K.

  4. Pressure-Induced Metallization of the Mott Insulator MnO (Journal Article)

    Office of Scientific and Technical Information (OSTI)

    | SciTech Connect Pressure-Induced Metallization of the Mott Insulator MnO Citation Details In-Document Search Title: Pressure-Induced Metallization of the Mott Insulator MnO × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information resources in energy science and technology. A paper copy of this

  5. Modeling and Characterization of the Magnetocaloric Effect in Ni2MnGa Materials

    SciTech Connect (OSTI)

    Nicholson, Don M; Odbadrakh, Khorgolkhuu; Shassere, Benjamin; Rios, Orlando; Hodges, Jason P; Ludtka, Gerard Michael; Porter, Wallace D; Safa-Sefat, Athena; Rusanu, Aurelian; Brown, Greg; Evans III, Boyd Mccutchen

    2014-01-01

    Magnetic shape memory alloys have great promise as magneto-caloric effect refrigerant materials due to their combined magnetic and structural transitions. Computational and experimental research is reported on the Ni2MnGa material system. The magnetic states of this system are explored using the Wang-Landau statistical approach in conjunction with the Locally Self-consistent Multiple-Scattering method. The effects of alloying agents on the transition temperatures of the Ni2MnGa alloy are investigated using differential scanning calorimetry and superconducting quantum interference device. Experiments are performed at the Spallation Neutron Source at Oak Ridge National Laboratory to observe the structural and magnetic phase transformations.

  6. Dy-Mn-Si as a representative of family of 'Dy-Transition

    Office of Scientific and Technical Information (OSTI)

    Metal-Si' systems: Its isothermal sections, empirical rProd. Type: FTPules and new rare-earth manganese silicides (Journal Article) | SciTech Connect Dy-Mn-Si as a representative of family of 'Dy-Transition Metal-Si' systems: Its isothermal sections, empirical rProd. Type: FTPules and new rare-earth manganese silicides Citation Details In-Document Search Title: Dy-Mn-Si as a representative of family of 'Dy-Transition Metal-Si' systems: Its isothermal sections, empirical rProd. Type: FTPules

  7. Orbital two-channel Kondo effect in epitaxial ferromagnetic L10-MnAl films

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | DOE PAGES Accepted Manuscript: Orbital two-channel Kondo effect in epitaxial ferromagnetic L10-MnAl films Title: Orbital two-channel Kondo effect in epitaxial ferromagnetic L10-MnAl films The orbital two-channel Kondo effect displaying exotic non-Fermi liquid behaviour arises in the intricate scenario of two conduction electrons compensating a pseudo-spin-1/2 impurity of two-level system. Despite extensive efforts for several decades, no material system has been clearly

  8. Orbital two-channel Kondo effect in epitaxial ferromagnetic L10-MnAl films

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Journal Article: Orbital two-channel Kondo effect in epitaxial ferromagnetic L10-MnAl films Citation Details In-Document Search Title: Orbital two-channel Kondo effect in epitaxial ferromagnetic L10-MnAl films The orbital two-channel Kondo effect displaying exotic non-Fermi liquid behaviour arises in the intricate scenario of two conduction electrons compensating a pseudo-spin-1/2 impurity of two-level system. Despite extensive efforts for several decades,

  9. Orbital two-channel Kondo effect in epitaxial ferromagnetic L10-MnAl films

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Journal Article: Orbital two-channel Kondo effect in epitaxial ferromagnetic L10-MnAl films Citation Details In-Document Search Title: Orbital two-channel Kondo effect in epitaxial ferromagnetic L10-MnAl films × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional

  10. MnO spin-wave dispersion curves from neutron powder diffraction

    SciTech Connect (OSTI)

    Goodwin, Andrew L.; Dove, Martin T.; Tucker, Matthew G.; Keen, David A.

    2007-02-15

    We describe a model-independent approach for the extraction of spin-wave dispersion curves from powder neutron total scattering data. Our approach is based on a statistical analysis of real-space spin configurations to calculate spin-dynamical quantities. The RMCPROFILE implementation of the reverse Monte Carlo refinement process is used to generate a large ensemble of supercell spin configurations from MnO powder diffraction data collected at 100 K. Our analysis of these configurations gives spin-wave dispersion curves for MnO that agree well with those determined independently using neutron triple-axis spectroscopic techniques.

  11. Thermoelectric properties of nano-meso-micro β-MnO₂ powders as a

    Office of Scientific and Technical Information (OSTI)

    function of electrical resistance (Journal Article) | SciTech Connect Thermoelectric properties of nano-meso-micro β-MnO₂ powders as a function of electrical resistance Citation Details In-Document Search Title: Thermoelectric properties of nano-meso-micro β-MnO₂ powders as a function of electrical resistance × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is

  12. X-Ray Spectroscopy of the Mn(4) Ca Cluster in the Water-Oxidation Complex

    Office of Scientific and Technical Information (OSTI)

    of Photosystem II (Journal Article) | SciTech Connect X-Ray Spectroscopy of the Mn(4) Ca Cluster in the Water-Oxidation Complex of Photosystem II Citation Details In-Document Search Title: X-Ray Spectroscopy of the Mn(4) Ca Cluster in the Water-Oxidation Complex of Photosystem II No abstract prepared. Authors: Sauer, K. ; Yano, J. ; Yachandra, V.K. ; /UC, Berkeley /LBL, Berkeley Publication Date: 2007-08-08 OSTI Identifier: 912555 Report Number(s): SLAC-REPRINT-2005-323 TRN: US200801%%922

  13. Enlarged Mn 3s splitting and room-temperature ferromagnetism in epitaxially grown oxygen doped Mn{sub 2}N{sub 0.86} films

    SciTech Connect (OSTI)

    Meng, M.; Wu, S. X. Ren, L. Z.; Zhou, W. Q.; Wang, Y. J.; Wang, G. L.; Li, S. W.

    2014-11-07

    Single-phase and oxygen doped Mn{sub 2}N{sub 0.86} thin films have been grown on MgO (111) by plasma-assisted molecular beam epitaxy. The films grow under tensile strain and, remarkably, they show ferromagnetic-like interactions at low temperature and ferromagnetic ordering agreed well with the Bloch-law T{sup 3/2} at room-temperature. We further demonstrate the enlarged Mn 3s splitting (6.46 eV) and its possible relation to the observed ferromagnetism. Our study not only provide a strategy for further theoretical work on oxygen doped manganese nitrides, but also shed promising light on utilizing its room-temperature FM property to fabricate spintronic devices.

  14. Synthesis of MnO{sub 2}-graphene composites with enhanced supercapacitive performance via pulse electrodeposition under supergravity field

    SciTech Connect (OSTI)

    Liu, Tingting; Shao, Guangjie; Ji, Mingtong; Wang, Guiling

    2014-07-01

    A method of pulse electrodeposition under supergravity field was proposed to synthesize MnO{sub 2}-graphene composites. Supergravity is very efficient for promoting mass transfer and decreasing concentration polarization during the electrodeposition process. The synthesis was conducted on our homemade supergravity equipment. The strength of supergravity field depended on the rotating speed of the ring electrode. 3D flower like MnO{sub 2} spheres composed of nanoflakes were acquired when the rotating speed was 3000 rpm. Graphene nanosheets play as a role of conductive substrates for MnO{sub 2} growing. The composites are evaluated as electrode materials for supercapacitors. Electrochemical results show that the maximum specific capacitance of the MnO{sub 2}-graphene composite is 595.7 F g{sup ?1} at a current density of 0.5 A g{sup ?1}. In addition, the composite exhibits excellent cycle stability with no capacitance attenuation after 1000 cycles. The approach provides new ideas for developing supercapacitor electrode materials with high performance. - Graphical abstract: 3D flower like MnO{sub 2} spheres composed of nanoflakes were acquired at 3000 rpm. - Highlights: MnO{sub 2}-graphene composites were prepared by pulse electrodeposition under supergravity. 3D flower like MnO{sub 2} spheres are anchored on the graphene nanosheets. The MnO{sub 2}-graphene electrode exhibits a specific capacitance of 595.7 F g{sup ?1}.

  15. Observation of Precipitation Evolution in Fe-Ni-Mn-Ti-Al Maraging Steel using Atom Probe Tomography

    SciTech Connect (OSTI)

    Pereloma, E. V.; Stohr, R A; Miller, Michael K; Ringer, S. P.

    2009-01-01

    We describe the full decomposition sequence in an Fe-Ni-Mn-Ti-Al maraging steel during isothermal annealing at 550 C. Following significant pre-precipitation clustering reactions within the supersaturated martensitic solid solution, (Ni,Fe){sub 3}Ti and (Ni,Fe){sub 3}(Al,Mn) precipitates eventually form after isothermal aging for {approx}60 seconds. The morphology of the (Ni,Fe){sub 3}Ti particles changes gradually during aging from predominantly plate-like to rod-like, and, importantly, Mn and Al were observed to segregate to these precipitate/matrix interfaces. The (Ni,Fe){sub 3}(Al,Mn) precipitates occurred at two main locations: uniformly within the matrix and at the periphery of the (Ni,Fe){sub 3}Ti particles. We relate this latter mode of precipitation to the Mn-Al segregation.

  16. Effect of Cu{sup 2+} and Ni{sup 2+} substitution at the Mn site in (La{sub

    Office of Scientific and Technical Information (OSTI)

    0.63}Ca{sub 0.37})MnO{sub 3}: A neutron powder diffraction investigation (Journal Article) | SciTech Connect Effect of Cu{sup 2+} and Ni{sup 2+} substitution at the Mn site in (La{sub 0.63}Ca{sub 0.37})MnO{sub 3}: A neutron powder diffraction investigation Citation Details In-Document Search Title: Effect of Cu{sup 2+} and Ni{sup 2+} substitution at the Mn site in (La{sub 0.63}Ca{sub 0.37})MnO{sub 3}: A neutron powder diffraction investigation The crystal and magnetic structures of the

  17. Growth of single-crystal {alpha}-MnO{sub 2} nanorods on multi-walled carbon nanotubes

    SciTech Connect (OSTI)

    Chen Yong; Liu Chenguang; Liu Chang; Lu Gaoqing; Cheng Huiming

    2007-11-06

    Single-crystal {alpha}-MnO{sub 2} nanorods were grown on multi-walled carbon nanotubes (MWNTs) in H{sub 2}SO{sub 4} aqueous solution. The morphology and microstructure of the composites were examined by transmission electron microscopy, high-resolution transmission electron microscopy (HRTEM), X-ray diffractometry and energy dispersive spectroscopy (EDS). The results show that {alpha}-MnO{sub 2} single-crystal nanorods with a mean diameter of 15 nm were densely grown on the surface of MWNTs. Those MWNTs/MnO{sub 2} composites were used as an electrode material for supercapacitors, and it was found that the supercapacitor performance using MWNTs/MnO{sub 2} composites was improved largely compared to that using pure MWNTs and {alpha}-MnO{sub 2} nanorod mechanically mixed with MWNTs.

  18. Microstructures and Mechanical Properties of Compositionally Complex Co-free FeNiMnCr18 FCC Solid Solution Alloy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wu, Zhenggang; Bei, Hongbin

    2015-01-01

    Recently,a structurally-simplebutcompositionally-complex FeNiCoMnCr highentropyalloywasfoundto haveexcellentmechanicalproperties(e.g.,highstrengthandductility).Tounderstandthepotentialof using highentropyalloysasstructuralmaterialsforadvancednuclearreactorandpowerplants,itis necessary tohaveathoroughunderstandingoftheirstructuralstabilityandmechanicalpropertiesde- gradation underneutronirradiation.ThisrequiresustodevelopasimilarmodelalloywithoutCobe- cause materialwithCowillmakepost-neutron-irradiationtestingdifficult duetotheproductionofthe 60Co radioisotope.Toachievethisgoal,aFCC-structuredsingle-phasealloywithacompositionof FeNiMnCr18 wassuccessfullydeveloped.Thisnear-equiatomicFeNiMnCr18 alloy hasgoodmalleability and itsmicrostructurecanbecontrolledbythermomechanicalprocessing.Byrollingandannealing,the as-cast elongated-grained-microstructureisreplacedbyhomogeneousequiaxedgrains.Themechanical properties (e.g.,strengthandductility)oftheFeNiMnCr18 alloy arecomparabletothoseoftheequiatomic FeNiCoMnCr highentropyalloy.Bothstrengthandductilityincreasewithdecreasingdeformation temperature,withthelargestdifferenceoccurringbetween293and77K.Extensivetwin-bandswhich are bundlesofnumerousindividualtwinsareobservedwhenitistensile-fracturedat77K.Notwin bands aredetectedbyEBSDformaterialsdeformedat293Kandhigher.Theunusualtemperature-de- pendencies ofUTSanduniformelongationcouldbecausedbythedevelopmentofthedensetwin substructure, twin-dislocationinteractionsandtheinteractionsbetweenprimaryandsecondarytwin- ning systemswhichresultinamicrostructurerefinement andhencecauseenhancedstrainhardening and postponednecking.

  19. Bulk and surface half-metallicity: The case of D0{sub 3}-type Mn{sub 3}Ge

    SciTech Connect (OSTI)

    Liu, Hao; Gao, G. Y. Hu, Lei; Ni, Yun; Zu, Fengxia; Zhu, Sicong; Wang, Shuling; Yao, K. L.

    2014-01-21

    Motivated by the experimental realization of D0{sub 22}-type Mn{sub 3}Ge (001) films [Kurt et al. Appl. Phys. Lett. 101, 132410 (2012)] and the structural stability of D0{sub 3}-type Heusler alloy Mn{sub 3}Ge [Zhang et al. J. Phys.: Condens. Matter 25, 206006 (2013)], we use the first-principles calculations based on the full potential linearized augmented plane-wave method to investigate the electronic and magnetic properties of D0{sub 3}-type Heusler alloy Mn{sub 3}Ge and its (001) surface. We show that bulk D0{sub 3}-Mn{sub 3}Ge is a half-metallic ferromagnet with the minority-spin energy gap of 0.52 eV and the magnetic moment of 1.00 μ{sub B} per formula unit. The bulk half-metallicity is preserved at the pure Mn-terminated (001) surface due to the large exchange split, but the MnGe-terminated (001) surface destroys the bulk half-metallicity. We also reveal that the surface stabilities are comparable between the D0{sub 3}-Mn{sub 3}Ge (001) and the experimental D0{sub 22}-Mn{sub 3}Ge (001), which indicates the feasibility to grow the Mn{sub 3}Ge (001) films with D0{sub 3} phase other than D0{sub 22} one. The surface half-metallicity and stability make D0{sub 3}-Mn{sub 3}Ge a promising candidate for spintronic applications.

  20. Improving Alpha Spectrometry Energy Resolution by Ion Implantation with ICP-MS

    SciTech Connect (OSTI)

    Dion, Michael P.; Liezers, Martin; Farmer, Orville T.; Miller, Brian W.; Morley, Shannon M.; Barinaga, Charles J.; Eiden, Gregory C.

    2015-01-01

    We report results of a novel technique using an Inductively Coupled Plasma Mass Spectrometer (ICP-MS) as a method of source preparation for alpha spectrometry. This method produced thin, contaminant free 241Am samples which yielded extraordinary energy resolution which appear to be at the lower limit of the detection technology used in this research.

  1. Redox Dynamics of Mixed Metal (Mn, Cr, and Fe) Ultrafine Particles

    SciTech Connect (OSTI)

    Nico, Peter S.; Kumfer, Benjamin M.; Kennedy, Ian M.; Anastasio, Cort

    2008-08-01

    The impact of particle composition on metal oxidation state, and on changes in oxidation state with simulated atmospheric aging, are investigated experimentally in flame-generated nanoparticles containing Mn, Cr, and Fe. The results demonstrate that the initial fraction of Cr(VI) within the particles decreases with increasing total metal concentration in the flame. In contrast, the initial Mn oxidation state was only partly controlled by metal loading, suggesting the importance of other factors. Two reaction pathways, one reductive and one oxidative, were found to be operating simultaneously during simulated atmospheric aging. The oxidative pathway depended upon the presence of simulated sunlight and O{sub 3}, whereas the reductive pathway occurred in the presence of simulated sunlight alone. The reductive pathway appears to be rapid but transient, allowing the oxidative pathway to dominate with longer aging times, i.e. greater than {approx}8 hours. The presence of Mn within the particles enhanced the importance of the oxidative pathway, leading to more net Cr oxidation during aging implying that Mn can mediate oxidation by removal of electrons from other particulate metals.

  2. Modulation on Ni{sub 2}MnGa(001) surface

    SciTech Connect (OSTI)

    D'Souza, S. W.; Rai, Abhishek; Nayak, J.; Maniraj, M.; Dhaka, R. S.; Barman, S. R.; Schlagel, D. L.; Lograsso, T. A.

    2011-07-15

    We report periodic modulation on (001) surface of Ni2MnGa ferromagnetic shape memory alloy. For the stoichiometric surface, analysis of the low energy electron diffraction (LEED) spot profiles shows that the modulation is incommensurate. The modulation appears at 200 K, concomitant with the first order structural transition to the martensitic phase.

  3. Aliovalent titanium substitution in layered mixed Li Ni-Mn-Co oxides for lithium battery applications

    SciTech Connect (OSTI)

    Kam, Kinson; Doeff, Marca M.

    2010-12-01

    Improved electrochemical characteristics are observed for Li[Ni1/3Co1/3-yMyMn1/3]O2 cathode materials when M=Ti and y<0.07, compared to the baseline material, with up to 15percent increased discharge capacity.

  4. CaMn2Sb2: Spin waves on a frustrated antiferromagnetic honeycomb lattice

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    McNally, D. E.; Simonson, J. W.; Kistner-Morris, J. J.; Smith, G. J.; Hassinger, J. E.; DeBeer-Schmidt, L.; Kolesnikov, A. I.; Zaliznyak, I.; Aronson, M. C.

    2015-05-22

    We present inelastic neutron scattering measurements of the antiferromagnetic insulator CaMn2Sb2:, which consists of corrugated honeycomb layers of Mn. The dispersion of magnetic excitations has been measured along the H and L directions in reciprocal space, with a maximum excitation energy of ≈ 24 meV. These excitations are well described by spin waves in a Heisenberg model, including first and second neighbor exchange interactions, J1 and J2, in the Mn plane and also an exchange interaction between planes. The determined ratio J2/J1 ≈ 1/6 suggests that CaMn2Sb2: is the first example of a compound that lies very close to themore » mean field tricritical point, known for the classical Heisenberg model on the honeycomb lattice, where the N´eel phase and two different spiral phases coexist. The magnitude of the determined exchange interactions reveal a mean field ordering temperature ≈ 4 times larger than the reported N´eel temperature TN = 85 K, suggesting significant frustration arising from proximity to the tricritical point.« less

  5. Short- and long-range magnetic order in LaMnAsO

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    McGuire, Michael A.; Garlea, Vasile Ovidiu

    2016-02-02

    The magnetic properties of the layered oxypnictide LaMnAsO have been revisited using neutron scattering and magnetization measurements. The present measurements identify the Néel temperature TN = 360(1) K. Below TN the critical exponent describing the magnetic order parameter is β=0.33–0.35 , consistent with a three-dimensional Heisenberg model. Above this temperature, diffuse magnetic scattering indicative of short-range magnetic order is observed, and this scattering persists up to TSRO = 650(10) K. Morevoer, the magnetic susceptibility shows a weak anomaly at TSRO and no anomaly at TN. Analysis of the diffuse scattering data using a reverse Monte Carlo algorithm indicates that abovemore » TN nearly two-dimensional, short-range magnetic order is present with a correlation length of 9.3(3) Å within the Mn layers at 400 K. The inelastic scattering data reveal a spin gap of 3.5 meV in the long-range ordered state, and strong, low-energy (quasielastic) magnetic excitations emerging in the short-range ordered state. When we compared it with other related compounds correlates the distortion of the Mn coordination tetrahedra to the sign of the magnetic exchange along the layer-stacking direction, and suggests that short-range order above TN is a common feature in the magnetic behavior of layered Mn-based pnictides and oxypnictides.« less

  6. Ordering ferromagnetic In{sub 1?x}Mn{sub x}As quantum dots

    SciTech Connect (OSTI)

    Ferri, Fabio A.; Marega Jr, Euclydes; Kunets, Vasyl P.; Salamo, Gregory J.

    2013-12-04

    In this work, we present a method to order low temperature (LT) self-assembled ferromagnetic In{sub 1?x}Mn{sub x}As quantum dots (QDs) grown by molecular beam epitaxy (MBE). The ordered In{sub 1?x}Mn{sub x}As QDs were grown on top of a non-magnetic In{sub 0.4}Ga{sub 0.6}As/GaAs(100) QDs multi-layered structure. The modulation of the chemical potential, due to the stacking, provides a nucleation center for the LT In{sub 1?x}Mn{sub x}As QDs. For particular conditions, such as surface morphology and growth conditions, the In{sub 1?x}Mn{sub x}As QDs align along lines like chains. For comparison purposes, we also report the study of QDs grown on plain GaAs(100) substrates. Ferromagnetic behavior was observed for all structures at 2 K.

  7. Evaluation of Li2MnSiO4 Cathode | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    11 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon es018_belharouak_2011_p.pdf More Documents & Publications Search for High Energy Density Cathode Materials Evaluation of Li2MnSiO4 Cathode Design of Safer High-Energy Density Materials for Lithium-Ion Cells

  8. Evaluation of Li2MnSiO4 Cathode | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    9 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. PDF icon esp_18_belharouak.pdf More Documents & Publications Search for High Energy Density Cathode Materials Evaluation of Li2MnSiO4 Cathode Vehicle Technologies Office Merit Review 2014: High-Capacity Polyanion Cathodes

  9. Helical antiferromagnetic ordering in Lu1-xScxMnSi

    SciTech Connect (OSTI)

    Goetsch, Ryan J; Anand, V K; Johnston, David C

    2014-08-01

    Polycrystalline samples of Lu1?xScxMnSi (x=0, 0.25, 0.5) are studied using powder x-ray diffraction, heat capacity Cp, magnetization, magnetic susceptibility ?, and electrical resistivity ? measurements versus temperature T and magnetic field H. This system crystallizes in the primitive orthorhombic TiNiSi-type structure (space group Pnma) as previously reported. The ?(T) data indicate metallic behavior. The Cp(T), ?(T), and ?(T) measurements consistently indicate long-range antiferromagnetic (AF) transitions with AF ordering temperatures TN=246, 215, and 188 K for x=0, 0.25, and 0.5, respectively. A second transition is observed at somewhat lower T for each sample from the ?(T) and ?(T) measurements, which we speculate are due to spin reorientation transitions; these second transitions are completely suppressed in H=5.5 T. The Cp data below 10 K for each composition indicate an enhanced Sommerfeld electronic heat capacity coefficient for the series in the range ?=2429 mJ/mol K2. The ?(T) measurements up to 1000 K were fitted by local-moment Curie-Weiss behaviors which indicate a low Mn spin S?1. The ? data below TN are analyzed using the Weiss molecular field theory for a planar noncollinear cycloidal AF structure with a composition-dependent pitch, following the previous neutron diffraction work of Venturini et al. [J. Alloys Compd. 256, 65 (1997)]. Within this model, the fits indicate a turn angle between Mn ordered moments along the cycloid axis of ?100? or ?145?, either of which indicate dominant AF interactions between the Mn spins in the Lu1?xScxMnSi series of compounds.

  10. Structural relationships between new carbide La{sub 14}Sn(MnC{sub 6}){sub 3} and fully ordered La{sub 11}(MnC{sub 6}){sub 3}

    SciTech Connect (OSTI)

    Zaikina, Julia V.; Zhou, Haidong; Latturner, Susan E.

    2010-12-15

    Crystals of the ternary La{sub 11}(MnC{sub 6}){sub 3} and new quaternary carbide La{sub 14}Sn(MnC{sub 6}){sub 3} phases were grown from La/Ni eutectic flux and their structures were determined by means of X-ray single crystal diffraction. La{sub 11}(MnC{sub 6}){sub 3} is a new superstructure variant of La{sub 3.67}MnC{sub 6} (previously reported disordered subcell: P6{sub 3}/m; a{sub 0}=8.806 A; c{sub 0}=5.329 A, Z=2). The superstructure (R3-bar ; a={radical}3a{sub 0}=15.2649(9) A; c=3c{sub 0}=16.013(1) A, Z=6; R{sub 1}=0.022) is realized by complete ordering of the La chains within the columns of face-sharing carbon octahedra, with alternating La-La distances leading to R-centering and enlargement of the unit cell. The structure of the quaternary carbide La{sub 14}Sn(MnC{sub 6}){sub 3} (P6-bar ; a=8.756(1) A; c=10.483(2) A, Z=1; R{sub 1}=0.026) is closely related to that of La{sub 11}(MnC{sub 6}){sub 3} with part of the MnC{sub 6} units replaced by Sn atoms. The structure and precise composition of La{sub 14}Sn(MnC{sub 6}){sub 3} can be derived from that of La{sub 11}(MnC{sub 6}){sub 3} by taking into account the extent of this substitution and variation in lanthanum siting in the chain of carbon octahedra. Band structure calculations indicate both phases are metallic; the La{sub 11}(MnC{sub 6}){sub 3} phase is stabilized by the ordering of La atoms which induces a pseudogap at E{sub F}. -- La{sub 11}(MnC{sub 6}){sub 3} with fully ordered superstructure and a new carbide La{sub 14}Sn(MnC{sub 6}){sub 3} were obtained from La/Ni eutectic flux. Display Omitted

  11. Structural and magnetic properties of magnetron sputtered Ni-Mn-Sn ferromagnetic shape memory alloy thin films

    SciTech Connect (OSTI)

    Vishnoi, Ritu; Kaur, Davinder

    2010-05-15

    In the present study, structural and magnetic properties of Mn-rich, off-stoichiometric, nanocrystalline Ni-Mn-Sn ferromagnetic shape memory alloy thin films, grown on Si (100) substrates at 550 deg. C by dc magnetron sputtering have been systematically investigated. The crystallization, surface morphology, and structural features were studied using x-ray diffraction, atomic force microscopy, and field emission scanning electron microscopy. The structural transition from austenite to martensite was observed with an increase of Mn content. Austenitic phase with mixed L2{sub 1}/A2+B2 structure has been observed at room temperature in Ni{sub 52.6}Mn{sub 23.7}Sn{sub 23.6} (S{sub 1}) and Ni{sub 51.5}Mn{sub 26.1}Sn{sub 22.2} (S{sub 2}) films, while those with composition of Ni{sub 58.9}Mn{sub 28.0}Sn{sub 13.0} (S{sub 3}) and Ni{sub 58.3}Mn{sub 29.0}Sn{sub 12.6} (S{sub 4}) show martensitic phase with 14M modulated monoclinic structures. Field induced martensite-austenite transformation has been observed in magnetization studies using superconducting quantum interference device magnetometer. Temperature dependent magnetization measurements demonstrate the influence of magnetic field on the structural phase transition temperature. The investigations reveal an increase of martensitic transformation temperature (T{sub M}) with corresponding increase in substitution of Mn. The films exhibit ferromagnetic behavior at low temperatures below Curie temperature (T{sub C}). The decrease in saturation moment with increasing Mn content, indicates the existence of antiferromagnetic correlations within ferromagnetic matrix.

  12. Structural characterization of the FeTiO{sub 3}-MnTiO{sub 3} solid solution

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Structural characterization of the FeTiO{sub 3}-MnTiO{sub 3} solid solution Citation Details In-Document Search Title: Structural characterization of the FeTiO{sub 3}-MnTiO{sub 3} solid solution We have synthesized the (Mn{sub 1-x}Fe{sub x})TiO{sub 3} (0.0{<=}x{<=}1.0) solid solution compounds by high-temperature sintered methods, and characterized their crystal structures by combining X-ray diffraction, Moessbauer spectroscopy and Raman

  13. Post-Growth Annealing of Bridgman-grown CdZnTe and CdMnTe Crystals for

    Office of Scientific and Technical Information (OSTI)

    Room-temperature Nuclear Radiation Detectors (Journal Article) | SciTech Connect Post-Growth Annealing of Bridgman-grown CdZnTe and CdMnTe Crystals for Room-temperature Nuclear Radiation Detectors Citation Details In-Document Search Title: Post-Growth Annealing of Bridgman-grown CdZnTe and CdMnTe Crystals for Room-temperature Nuclear Radiation Detectors Bridgman-grown cadmium zinc telluride (CdZnTe or CZT) and cadmium manganese telluride (CdMnTe or CMT) crystals often have Te inclusions that

  14. Atomic moments in Mn2CoAl thin films analyzed by X-ray magnetic circular dichroism

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jamer, M. E.; Assaf, B. A.; Sterbinsky, G. E.; Arena, D. A.; Heiman, D.

    2014-12-05

    Spin gapless semiconductors are known to be strongly affected by structural disorder when grown epitaxially as thin films. The magnetic properties of Mn2CoAl thin films grown on GaAs (001) substrates are investigated here as a function of annealing. This study investigates the atomic-specific magnetic moments of Mn and Co atoms measured through X-ray magnetic circular dichroism as a function of annealing and the consequent structural ordering. Results indicate that the structural distortion mainly affects the Mn atoms as seen by the reduction of the magnetic moment from its predicted value.

  15. Atomic moments in Mn{sub 2}CoAl thin films analyzed by X-ray magnetic circular dichroism

    SciTech Connect (OSTI)

    Jamer, M. E.; Assaf, B. A.; Heiman, D.; Sterbinsky, G. E.; Arena, D. A.

    2014-12-07

    Spin gapless semiconductors are known to be strongly affected by structural disorder when grown epitaxially as thin films. The magnetic properties of Mn{sub 2}CoAl thin films grown on GaAs (001) substrates are investigated here as a function of annealing. This study investigates the atomic-specific magnetic moments of Mn and Co atoms measured through X-ray magnetic circular dichroism as a function of annealing and the consequent structural ordering. The results indicate that the structural distortion mainly affects the Mn atoms as seen by the reduction of the magnetic moment from its predicted value.

  16. Neutron powder diffraction analysis of (Tm{sub 0.50}Ca{sub 0.50})MnO{sub 3}

    Office of Scientific and Technical Information (OSTI)

    and (Lu{sub 0.50}Ca{sub 0.50})MnO{sub 3} (Journal Article) | SciTech Connect Neutron powder diffraction analysis of (Tm{sub 0.50}Ca{sub 0.50})MnO{sub 3} and (Lu{sub 0.50}Ca{sub 0.50})MnO{sub 3} Citation Details In-Document Search Title: Neutron powder diffraction analysis of (Tm{sub 0.50}Ca{sub 0.50})MnO{sub 3} and (Lu{sub 0.50}Ca{sub 0.50})MnO{sub 3} The crystal and magnetic structures of (Tm{sub 0.50}Ca{sub 0.50})MnO{sub 3} and (Lu{sub 0.50}Ca{sub 0.50})MnO{sub 3} have been investigated

  17. Response Model for Kodak Biomax-MS Film to X Rays

    SciTech Connect (OSTI)

    Knauer, J.P.; Marshall, F.J.; Yaakobi, B.; Anderson, D.; Schmitt, B.A.; Chandler, K.M.; Pikuz, S.A.; Shelkovenko, T.A.; Mitchell, M.D.; Hammer, D.A.

    2007-01-24

    X-raysensitive film is used for a variety of imaging and spectroscopic diagnostics for high-temperature plasmas. New film becomes available as older films are phased out of production. Biomax-MS is a T-grain class of film that is proposed as a replacement for Kodak DEF film. A model of its response to x rays is presented. Data from dimensional measurements of the film, x-ray transmission measurements, SEM micrograph images, and x-ray calibration are used to develop this sensitivity model of Biomax-MS film as a function of x-ray energy and angle of incidence. Relative response data provide a check of the applicability of this model to determine the x-ray flux from spectrum data. This detailed film characterization starts with simple mathematical models and extends them to T-grain type film.

  18. Response model for Kodak Biomax-MS film to x rays

    SciTech Connect (OSTI)

    Knauer, J. P.; Marshall, F. J.; Yaakobi, B.; Anderson, D.; Schmitt, B. A.; Chandler, K. M.; Pikuz, S. A.; Shelkovenko, T. A.; Mitchell, M. D.; Hammer, D. A.

    2006-10-15

    X-ray-sensitive film is used for a variety of imaging and spectroscopic diagnostics for high-temperature plasmas. Replacement film must be found as older films are phased out of production. Biomax-MS is a 'T-grain' class of film that is proposed as a replacement for Kodak DEF and a model of its response to x rays is presented. Data from dimensional measurements of the film, x-ray transmission measurements, scanning electron microscopy micrograph images, and x-ray calibration are used to develop this sensitivity model of Biomax-MS film as a function of x-ray energy and angle of incidence. Relative response data provide a check of the applicability of this model to determine the x-ray flux from spectrum data. This detailed film characterization starts with simple mathematical models and extends them to T-grain-type film.

  19. PIK M.S. Onegin Petersburg Nuclear Physics Institute 2015 Super Heavy Elements Symposium

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    possibilities of heavy actinide isotopes production in high-flux reactor PIK M.S. Onegin Petersburg Nuclear Physics Institute 2015 Super Heavy Elements Symposium Reactor PIK 2011 - Criticality reached 2013 - Construction finished 2014 - 2017 Licensing and neutron stations and installation construction 2018 - Power operation scheduled The maximum heat output 100 MW Heat transfer agent water Reflector heavy water Number of horizontal experimental channels 10 Number inclined experimental channels 6

  20. Paul W. King, Ph.D., M.S. | Bioenergy | NREL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Paul W. King Paul W. King, Ph.D., M.S. Scientist VI - Supervisor, Photobiology Group Paul.King@nrel.gov | 303-384-6277 Research Interests Paul King's research interests are broadly in the study of photobiological and artificial photosynthetic systems for converting solar energy into biofuels. Specific areas of interest include using molecular, biochemical and biophysical techniques to investigate the catalytic mechanisms and structure-function of hydrogenases; bioenergetics of hydrogen

  1. To: Ms. Brenda Edwards U.S. Department of Energy, Building Technologies Program

    Energy Savers [EERE]

    0, 2012 To: Ms. Brenda Edwards U.S. Department of Energy, Building Technologies Program Mailstop EE-2J, 1000 Independence Avenue Washington, DC 20585-0121 Phone: (202) 586-2945 cc: Michelle Blaise (VP, ComEd Engineering & Project Management) Joseph Watson (Director, Federal Government Affairs) Martin Rave (Prin Engineer, ComEd Distribution Standards) From: Peter Tyschenko (Manager, ComEd Distribution Standards) Two Lincoln Centre Oakbrook Terrace, IL 60181-4260 Phone: (630) 576-6998 Subject:

  2. To: Ms. Brenda Edwards U.S. Department of Energy, Building Technologies Program

    Energy Savers [EERE]

    8, 2011 To: Ms. Brenda Edwards U.S. Department of Energy, Building Technologies Program Mailstop EE-2J, 1000 Independence Avenue Washington, DC 20585-0121 Phone: (202) 586-2945 cc: Michelle Blaise (VP, ComEd Engineering & Project Management) Joseph Watson (Director, Federal Government Affairs) Martin Rave (Prin Engineer, ComEd Distribution Standards) From: Peter Tyschenko (Manager, ComEd Distribution Standards) Two Lincoln Centre Oakbrook Terrace, IL 60181-4260 Phone: (630) 576-6998 Subject:

  3. Development of chiral LC-MS methods for small molecules and their applications i

    Office of Scientific and Technical Information (OSTI)

    chiral LC-MS methods for small molecules and their applications i n the analysis of enantiomeric composition and pharmacokinetic studies Meera Jay Desai A dissertation submitted to the graduate faculty in partial fulfillment of the requirements for the degree of DOCTOR OF PHILOSOPHY Major: Analytical Chemistry Program of Study Committee: Daniel W. Armstrong, Major Professor Edward S. Yeung Robsrt S. Houk Victor S.-Y. Lin Gregory Phillips Iowa State University Ames, Iowa 2004 .. 11 Graduate

  4. Penetration depth and absorption mechanisms of spin currents in Ir{sub 20}Mn{sub 80} and Fe{sub 50}Mn{sub 50} polycrystalline films by ferromagnetic resonance and spin pumping

    SciTech Connect (OSTI)

    Merodio, P.; Ghosh, A.; Lemonias, C.; Gautier, E.; Ebels, U.; Chshiev, M.; Béa, H. E-mail: helene.bea@cea.fr; Baltz, V. E-mail: helene.bea@cea.fr

    2014-01-20

    Spintronics relies on the spin dependent transport properties of ferromagnets (Fs). Although antiferromagnets (AFs) are used for their magnetic properties only, some fundamental F-spintronics phenomena like spin transfer torque, domain wall motion, and tunnel anisotropic magnetoresistance also occur with AFs, thus making AF-spintronics attractive. Here, room temperature critical depths and absorption mechanisms of spin currents in Ir{sub 20}Mn{sub 80} and Fe{sub 50}Mn{sub 50} are determined by F-resonance and spin pumping. In particular, we find room temperature critical depths originating from different absorption mechanisms: dephasing for Ir{sub 20}Mn{sub 80} and spin flipping for Fe{sub 50}Mn{sub 50}.

  5. Octonary resistance states in La0.7Sr0.3MnO3/BaTiO3/La0.7Sr0.3MnO3

    Office of Scientific and Technical Information (OSTI)

    multiferroic tunnel junctions (Journal Article) | DOE PAGES Octonary resistance states in La0.7Sr0.3MnO3/BaTiO3/La0.7Sr0.3MnO3 multiferroic tunnel junctions This content will become publicly available on October 6, 2016 « Prev Next » Title: Octonary resistance states in La0.7Sr0.3MnO3/BaTiO3/La0.7Sr0.3MnO3 multiferroic tunnel junctions General drawbacks of current electronic/spintronic devices are high power consumption and low density storage. A multiferroic tunnel junction (MFTJ),

  6. Evaluation of Ultra-Low Background Materials for Uranium and Thorium Using ICP-MS

    SciTech Connect (OSTI)

    Hoppe, Eric W.; Overman, Nicole R.; LaFerriere, Brian D.

    2013-08-08

    An increasing number of physics experiments require low background materials for their construction. The presence of Uranium and Thorium and their progeny in these materials present a variety of unwanted background sources for these experiments. The sensitivity of the experiments continues to drive the necessary levels of detection ever lower as well. This requirement for greater sensitivity has rendered direct radioassay impractical in many cases requiring large quantities of material, frequently many kilograms, and prolonged counting times, often months. Other assay techniques have been employed such as Neutron Activation Analysis but this requires access to expensive facilities and instrumentation and can be further complicated and delayed by the formation of unwanted radionuclides. Inductively Coupled Plasma Mass Spectrometry (ICP-MS) is a useful tool and recent advancements have increased the sensitivity particularly in the elemental high mass range of U and Th. Unlike direct radioassay, ICP-MS is a destructive technique since it requires the sample to be in liquid form which is aspirated into a high temperature plasma. But it benefits in that it usually requires a very small sample, typically about a gram. Here we will discuss how a variety of low background materials such as copper, polymers, and fused silica are made amenable to ICP-MS assay and how the arduous task of maintaining low backgrounds of U and Th is achieved.

  7. Evaluation of ultra-low background materials for uranium and thorium using ICP-MS

    SciTech Connect (OSTI)

    Hoppe, E. W.; Overman, N. R.; LaFerriere, B. D.

    2013-08-08

    An increasing number of physics experiments require low background materials for their construction. The presence of Uranium and Thorium and their progeny in these materials present a variety of unwanted background sources for these experiments. The sensitivity of the experiments continues to drive the necessary levels of detection ever lower as well. This requirement for greater sensitivity has rendered direct radioassay impractical in many cases requiring large quantities of material, frequently many kilograms, and prolonged counting times, often months. Other assay techniques have been employed such as Neutron Activation Analysis but this requires access to expensive facilities and instrumentation and can be further complicated and delayed by the formation of unwanted radionuclides. Inductively Coupled Plasma Mass Spectrometry (ICP-MS) is a useful tool and recent advancements have increased the sensitivity particularly in the elemental high mass range of U and Th. Unlike direct radioassay, ICP-MS is a destructive technique since it requires the sample to be in liquid form which is aspirated into a high temperature plasma. But it benefits in that it usually requires a very small sample, typically about a gram. This paper discusses how a variety of low background materials such as copper, polymers, and fused silica are made amenable to ICP-MS assay and how the arduous task of maintaining low backgrounds of U and Th is achieved.

  8. Sources of Technical Variability in Quantitative LC-MS Proteomics: Human Brain Tissue Sample Analysis.

    SciTech Connect (OSTI)

    Piehowski, Paul D.; Petyuk, Vladislav A.; Orton, Daniel J.; Xie, Fang; Moore, Ronald J.; Ramirez Restrepo, Manuel; Engel, Anzhelika; Lieberman, Andrew P.; Albin, Roger L.; Camp, David G.; Smith, Richard D.; Myers, Amanda J.

    2013-05-03

    To design a robust quantitative proteomics study, an understanding of both the inherent heterogeneity of the biological samples being studied as well as the technical variability of the proteomics methods and platform is needed. Additionally, accurately identifying the technical steps associated with the largest variability would provide valuable information for the improvement and design of future processing pipelines. We present an experimental strategy that allows for a detailed examination of the variability of the quantitative LC-MS proteomics measurements. By replicating analyses at different stages of processing, various technical components can be estimated and their individual contribution to technical variability can be dissected. This design can be easily adapted to other quantitative proteomics pipelines. Herein, we applied this methodology to our label-free workflow for the processing of human brain tissue. For this application, the pipeline was divided into four critical components: Tissue dissection and homogenization (extraction), protein denaturation followed by trypsin digestion and SPE clean-up (digestion), short-term run-to-run instrumental response fluctuation (instrumental variance), and long-term drift of the quantitative response of the LC-MS/MS platform over the 2 week period of continuous analysis (instrumental stability). From this analysis, we found the following contributions to variability: extraction (72%) >> instrumental variance (16%) > instrumental stability (8.4%) > digestion (3.1%). Furthermore, the stability of the platform and its suitability for discovery proteomics studies is demonstrated.

  9. Laser activation of ferromagnetism in hydrogenated Ga{sub 1-x}Mn{sub x}As

    SciTech Connect (OSTI)

    Farshchi, R.; Dubon, O. D.; Hwang, D. J.; Misra, N.; Grigoropoulos, C. P.; Ashby, P. D.

    2008-01-07

    We demonstrate the local depassivation of hydrogenated Ga{sub 1-x}Mn{sub x}As by pulsed-laser annealing. The controlled removal of Mn-H defect complexes, which form upon hydrogenation and render Mn acceptors inactive, is achieved by focused laser irradiation. As a result, regions of electrically and ferromagnetically active Ga{sub 1-x}Mn{sub x}As are formed within a nonactive, otherwise structurally identical film. The hydrogenated films subjected to blanket laser depassivation display a Curie temperature T{sub C} up to 60 K, or 60% of the T{sub C} of the as-grown films. These results demonstrate the direct laser writing of mesoscopic ferromagnetically active regions as a viable route for the realization of planar, nanoscale spintronic systems.

  10. Thermoelectric properties of nano-meso-micro β-MnO₂ powders as a function of electrical resistance

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hedden, Morgan; Francis, Nick; Haraldsen, Jason T.; Ahmed, Towfiq; Constantin, Costel

    2015-07-15

    Particle sizes of manganese oxide (β-MnO₂) powders were modified by using a mortar and pestle ground method for period of times that varied between 15–60 min. Particle size versus ground time clearly shows the existence of a size-induced regime transition (i.e., regime I and II). Thermoelectric properties of β-MnO₂ powders as a function of electrical resistance in the range of RP = 10 - 80Ω were measured. Based on the data presented, we propose a model for the β-MnO₂ system in which nanometer-scale MnO₂ crystallites bond together through weak van der Waals forces to form larger conglomerates that span inmore » size from nanometer to micrometer scale.« less

  11. Anti-site disorder and improved functionality of Mn?NiX (X = Al, Ga, In, Sn) inverse Heusler alloys

    SciTech Connect (OSTI)

    Paul, Souvik; Kundu, Ashis; Ghosh, Subhradip; Sanyal, Biplab

    2014-10-07

    Recent first-principles calculations have predicted Mn?NiX (X = Al, Ga, In, Sn) alloys to be magnetic shape memory alloys. Moreover, experiments on Mn?NiGa and Mn?NiSn suggest that the alloys deviate from the perfect inverse Heusler arrangement and that there is chemical disorder at the sublattices with tetrahedral symmetry. In this work, we investigate the effects of such chemical disorder on phase stabilities and magnetic properties using first-principles electronic structure methods. We find that except Mn?NiAl, all other alloys show signatures of martensitic transformations in presence of anti-site disorder at the sublattices with tetrahedral symmetry. This improves the possibilities of realizing martensitic transformations at relatively low fields and the possibilities of obtaining significantly large inverse magneto-caloric effects, in comparison to perfect inverse Heusler arrangement of atoms. We analyze the origin of such improvements in functional properties by investigating electronic structures and magnetic exchange interactions.

  12. Magnetochromic effect in multiferroic R In 1 ₋ x Mn x O 3 ( R = Tb , Dy)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chen, P.; Holinsworth, B. S.; O'Neal, K. R.; Brinzari, T. V.; Mazumdar, D.; Topping, C. V.; Luo, X.; Cheong, S.-W.; Singleton, J.; McGill, S.; et al

    2015-05-26

    We combined high field magnetization and magneto-optical spectroscopy to investigate spin-charge coupling in Mn-substituted rare-earth indium oxides of chemical formula RIn₁₋xMnxO₃ (R=Tb, Dy). The edge states, on-site Mn³⁺d to d excitations, and rare-earth f-manifold excitations all track the magnetization energy due to dominant Zeeman interactions. The field-induced modifications to the rare-earth excitations are quite large because spin-orbit coupling naturally mixes spin and charge, suggesting that the next logical step in the design strategy should be to bring spin-orbit coupling onto the trigonal bipyramidal chromophore site with a 4 or 5d center.

  13. Structural, elastic, electronic, magnetic and vibrational properties of CuCoMnGa under pressure

    SciTech Connect (OSTI)

    İyigör, Ahmet; Uğur, Şule

    2014-10-06

    First principles calculations for the structural, electronic, elastic and phonon properties of the cubic quaternary heusler alloy CuCoMnGa on pressure have been reported by density functional theory (DFT) within generalized gradient approximation (GGA). The calculated values of the elastic constants were used for estimations of the Debye temperatures, the bulk modulus, the shear modulus, the young modulus E, the poisson's ratio σ and the B/G ratio. The elastic constants satisfy all of the mechanical stability criteria. The electronic structures of the ferromagnetic configuration for CuCoMnGa have a metallic character. The estimated magnetic moment per formula unit is 3.76 μ{sub B}. The phonon dispersion is studied using the supercell approach, and the stable nature at 0.2 GPa pressure is observed.

  14. Low temperature magnetic properties of magnesium substituted YbMnO{sub 3}

    SciTech Connect (OSTI)

    Sattibabu, Bhumireddi Bhatnagar, Anil K. Mohan, Dasari Das, Dibakar Sundararaman, Mahadevan; Siruguri, Vasudeva; Rayaprol, Sudhindra

    2014-04-24

    Structural and magnetic properties of polycrystalline Yb{sub 1−x}Mg{sub x}MnO{sub 3} (x = 0, 0.05 and 0.10) hexagonal compounds prepared by solid state method, have been studied. The structural analyses of the samples were carried out by Rietveld analysis of neutron diffraction data. With increasing Mg content, we find that the lattice parameter a decreases and c increases whereas the overall Mn-O bond length decreases. Magnetization measured as a function of magnetic field at 2.5 K exhibits hysteresis, which is attributed to ferromagnetic like ordering of Yb{sup 3+} sublattice. Temperature dependence of ac magnetic susceptibility, χ{sub ac}(T), shows no signature of spin-glass behavior. χ”(T) exhibits a sudden increase at low temperatures which is due to ordering of Yb{sup 3+} sublattice.

  15. What is the valence of Mn in Ga1-xMnxN?

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Berlijn, Tom; Jarrell, Mark; Nelson, Ryky; Ku, Wei; Moreno, Juana

    2015-11-04

    Motivated by the potential high Curie temperature of Ga1-xMnxN, we investigate the controversial Mn valence in this diluted magnetic semiconductor. From a first-principles Wannier-function analysis of the high energy Hilbert space, we find unambiguously the Mn valence to be close to 2+(d5), but in a mixed spin configuration with average magnetic moments of 4µB. By integrating out high-energy degrees of freedom differently, we further demonstrate the feasibility of both effective d4 and d5 descriptions. These two descriptions offer simple pictures for local and extended properties of the system, and highlight the dual nature of its doped hole. Specifically, in themore » effective d5 description, we demonstrate novel physical effects absent in previous studies. Thus, our derivation highlights the richness of low-energy sectors in interacting many-body systems and the generic need for multiple effective descriptions.« less

  16. Magneto-optical spectroscopy of ferromagnetic shape-memory Ni-Mn-Ga alloy

    SciTech Connect (OSTI)

    Veis, M. Beran, L.; Zahradnik, M.; Antos, R.; Straka, L.; Kopecek, J.; Fekete, L.; Heczko, O.

    2014-05-07

    Magneto-optical properties of single crystal of Ni{sub 50.1}Mn{sub 28.4}Ga{sub 21.5} magnetic shape memory alloy in martensite and austenite phase were systematically studied. Crystal orientation was approximately along (100) planes of parent cubic austenite. At room temperature, the sample was in modulated 10M martensite phase and transformed to cubic austenite at 323?K. Spectral dependence of polar magneto-optical Kerr effect was obtained by generalized magneto-optical ellipsometry with rotating analyzer in the photon energy range from 1.2 to 4?eV, and from room temperature to temperature above the Curie point. The Kerr rotation spectra exhibit prominent features typical for complexes containing Mn atoms. Significant spectral changes during transformation to austenite can be explained by different optical properties caused by changes in density of states near the Fermi energy.

  17. Extrinsic anomalous Hall effect in epitaxial Mn{sub 4}N films

    SciTech Connect (OSTI)

    Meng, M.; Wu, S. X. Ren, L. Z.; Zhou, W. Q.; Wang, Y. J.; Wang, G. L.; Li, S. W.

    2015-01-19

    Anomalous Hall effect (AHE) in ferrimagnetic Mn{sub 4}N epitaxial films grown by molecular-beam epitaxy is investigated. The longitudinal conductivity σ{sub xx} is within the superclean regime, indicating Mn{sub 4}N is a highly conducting material. We further demonstrate that the AHE signal in 40-nm-thick films is mainly due to the extrinsic contributions based on the analysis fitted by ρ{sub AH}=a′ρ{sub xx0}+bρ{sub xx}{sup 2} and σ{sub AH}∝σ{sub xx}. Our study not only provide a strategy for further theoretical work on antiperovskite manganese nitrides but also shed promising light on utilizing their extrinsic AHE to fabricate spintronic devices.

  18. Homogeneity testing and quantitative analysis of manganese (Mn) in vitrified Mn-doped glasses by laser-induced breakdown spectroscopy (LIBS)

    SciTech Connect (OSTI)

    Unnikrishnan, V. K.; Nayak, Rajesh; Kartha, V. B.; Santhosh, C. E-mail: unnikrishnan.vk@manipal.edu; Sonavane, M. S.; Yeotikar, R. G.; Shah, M. L.; Gupta, G. P.; Suri, B. M.

    2014-09-15

    Laser-induced breakdown spectroscopy (LIBS), an atomic emission spectroscopy method, has rapidly grown as one of the best elemental analysis techniques over the past two decades. Homogeneity testing and quantitative analysis of manganese (Mn) in manganese-doped glasses have been carried out using an optimized LIBS system employing a nanosecond ultraviolet Nd:YAG laser as the source of excitation. The glass samples have been prepared using conventional vitrification methods. The laser pulse irradiance on the surface of the glass samples placed in air at atmospheric pressure was about 1.710{sup 9} W/cm{sup 2}. The spatially integrated plasma emission was collected and imaged on to the spectrograph slit using an optical-fiber-based collection system. Homogeneity was checked by recording LIBS spectra from different sites on the sample surface and analyzing the elemental emission intensities for concentration determination. Validation of the observed LIBS results was done by comparison with scanning electron microscope- energy dispersive X-ray spectroscopy (SEM-EDX) surface elemental mapping. The analytical performance of the LIBS system has been evaluated through the correlation of the LIBS determined concentrations of Mn with its certified values. The results are found to be in very good agreement with the certified concentrations.

  19. Magnetic fields and fluctuations in weakly Mn doped ZnGeP{sub 2}

    SciTech Connect (OSTI)

    Mengyan, P. W.; Lichti, R. L.; Baker, B. B.; Celebi, Y. G.; Catak, E.; Carroll, B. R.; Zawilski, K. T.; Schunemann, P. G.

    2014-02-21

    We report on our measurements of local and bulk magnetic features in weakly Mn doped ZnGeP{sub 2}. Utilizing muon spin rotation and relaxation measurements, we identify local ferromagnetic order and fluctuations in the local fields as sampled by an implanted muon (?{sup +}). We also report on field induced ferromagnetism occurring above the claimed paramagnetic to ferromagnetic transition temperature (T{sub c} = 312 K)

  20. Thermoelectric study of crossroads material MnTe via sulfur doping

    SciTech Connect (OSTI)

    Xie, Wenjie Populoh, Sascha; Sagarna, Leyre; Trottmann, Matthias; Ga??zka, Krzysztof; Xiao, Xingxing; Liu, Yufei; He, Jian; Weidenkaff, Anke

    2014-03-14

    Here, we report thermoelectric study of crossroads material MnTe via iso-electronic doping S on the Te-site. MnTe{sub 1-x}S{sub x} samples with nominal S content of x?=?0.00, 0.05, and 0.10 were prepared using a melt-quench method followed by pulverization and spark plasma sintering. The X-ray powder diffraction, scanning electron microscopy, and ZAF-corrected compositional analysis confirmed that S uniformly substitutes Te up to slightly over 2%. A higher content of S in the starting materials led to the formation of secondary phases. The thermoelectric properties of MnTe{sub 1-x}S{sub x} samples were characterized by means of Seebeck coefficient, electrical conductivity, and thermal conductivity measurements from 300?K to 773?K. Furthermore, Hall coefficient measurements and a single parabolic band model were used to help gain insights on the effects of S-doping on the scattering mechanism and the carrier effective mass. As expected, S doping not only introduced hole charge carriers but also created short-range defects that effectively scatter heat-carrying phonons at elevated temperatures. On the other hand, we found that S doping degraded the effective mass. As a result, the ZT of MnTe{sub 0.9}S{sub 0.1} was substantially enhanced over the pristine sample near 400?K, while the improvement of ZT became marginal at elevated temperatures. A ZT???0.65 at 773?K was obtained in all three samples.

  1. Inverse Design of Mn-based ternary p-type wide-gap oxides

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    used theory to predict band structure and transport properties for the d 5 transition metal (TM) oxides MnO and Fe 2 O 3 . Significance and Impact This work identified design principles for improving d 5 oxides as a new class of semiconductors with potential applications in energy conversion. Design Principles Demonstrated for Semiconducting d 5 Transition-Metal Oxides with Photovoltaic Applications Potential H. Peng and S. Lany, Phys. Rev. B (Rapid Comm.) 85, 201202(R) (2012). Figure 1:

  2. MN Lup: X-RAYS FROM A WEAKLY ACCRETING T TAURI STAR

    SciTech Connect (OSTI)

    Guenther, H. M.; Wolk, S. J.; Wolter, U.; Robrade, J.

    2013-07-01

    Young T Tauri stars (TTS) are surrounded by an accretion disk, which over time disperses due to photoevaporation, accretion, and possibly planet formation. The accretion shock on the central star produces an UV/optical veiling continuum, line emission, and X-ray signatures. As the accretion rate decreases, the impact on the central star must change. In this article we study MN Lup, a young star where no indications of a disk are seen in IR observations. We present XMM-Newton and VLT/UVES observations, some of them taken simultaneously. The X-ray data show that MN Lup is an active star with L{sub X} /L{sub bol} close to the saturation limit. However, we find high densities (n{sub e} > 3 Multiplication-Sign 10{sup 10} cm{sup -3}) in the X-ray grating spectrum. This can be well fitted using an accretion shock model with an accretion rate of 2 Multiplication-Sign 10{sup -11} M{sub Sun} yr{sup -1}. Despite the simple H{alpha} line profile which has a broad component, but no absorption signatures as typically seen on accreting TTS, we find rotational modulation in Ca II K and in photospheric absorption lines. These line profile modulations do not clearly indicate the presence of a localized hot accretion spot on the star. In the H{alpha} line we see a prominence in absorption about 2R{sub *} above the stellar surface-the first of its kind on a TTS. MN Lup is also the only TTS where accretion is seen, but no dust disk is detected that could fuel it. We suggest that MN Lup presents a unique and short-lived state in the disk evolution. It may have lost its dust disk only recently and is now accreting the remaining gas at a very low rate.

  3. Redox Active Layer-by-Layer Structures containing MnO2 Nanoparticles

    SciTech Connect (OSTI)

    Bazito, Fernanda; O'Brien, Robert; Buttry, Daniel A.

    2005-02-01

    Nanoscale materials provide unique properties that will enable new technologies and enhance older ones. One area of intense activity in which nanoscale materials are being used is in the development of new functional materials for battery applications. This effort promises superior materials with properties that circumvent many of the problems associated with traditional battery materials. Previously we have worked on several approaches for using nanoscale materials for application as cathode materials in rechargeable Li batteries. Our recent work has focused on synthesizing MnO2 nanoparticles and using these in layer-by-layer (LbL) structures to probe the redox properties of the nanoparticles. We show that the aqueous colloidal nanoparticles produced by butanol reduction of tetramethylammonium permanganate can be trapped in thin films using a layer-by-layer deposition approach, and that these films are both redox active and exhibit kinetically facile electrochemical responses. We show cyclic voltammetry of MnO2 colloidal nanoparticles entrapped in a LbL thin film at an ITO electrode surface using poly(diallyldimethylammonium chloride) (PDDA). CV experiments demonstrate that Li+ insertion accompanies Mn(IV) reduction in LiClO4 supporting electrolytes, and that reduction is hindered in supporting electrolytes containing only tetrabutylammonium cations. We also show that electron propagation through multilayer films is facile, suggesting that electrons percolate through the films via electron exchange between nanoparticles.

  4. Magnetization-steps in Y?CoMnO? double perovskite: The role of antisite disorder

    SciTech Connect (OSTI)

    Nair, Harikrishnan S. Xiao, Yinguo; Brckel, Th.; Cherian, Dona; Elizabeth, Suja; Hansen, Thomas; Chatterji, Tapan

    2014-09-28

    Antisite disorder is observed to have significant impact on the magnetic properties of the double perovskite YCoMnO? which has been recently identified as a multiferroic. A paramagnetic-ferromagnetic phase transition occurs in this material at Tc ? 75 K. At 2 K, it displays a strong ferromagnetic hysteresis with a significant coercive field of Hc ? 15 kOe. Sharp steps are observed in the hysteresis curves recorded below 8 K. In the temperature range 2 K ? T ? 5 K, the hysteresis loops are anomalous as the virgin curve lies outside the main loop. The field-cooling conditions as well as the rate of field-sweep are found to influence the steps. Quantitative analysis of the neutron diffraction data shows that at room temperature, Y?CoMnO? consists of 62% of monoclinic P2?/n with nearly 70% antisite disorder and 38% Pnma. The bond valence sums indicate the presence of other valence states for Co and Mn which arise from disorder. We explain the origin of steps by using a model for pinning of magnetization at the antiphase boundaries created by antisite disorder. The steps in magnetization closely resemble the martensitic transformations found in intermetallics and display first-order characteristics as revealed in the Arrott's plots.

  5. Correlating Local Structure with Electrochemical Activity in Li2MnO3

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Nanda, Jagjit; Sacci, Robert L.; Veith, Gabriel M.; Dixit, Hemant M.; Cooper, Valentino R.; Pezeshki, Alan M.; Ruther, Rose E.

    2015-07-31

    Li2MnO3 is of interest as one component of the composite lithium-rich oxides, which are under development for high capacity, high voltage cathodes in lithium ion batteries. Despite such practical importance, the mechanism of electrochemical activity in Li2MnO3 is contested in the literature, as are the effects of long-term electrochemical cycling. Here, Raman spectroscopy and mapping are used to follow the chemical and structural changes that occur in Li2MnO3. Both conventional slurry electrodes and thin films are studied as a function of the state of charge (voltage) and cycle number. Thin films have similar electrochemical properties as electrodes prepared from slurries,more » but allow for spectroscopic investigations on uniform samples without carbon additives. Spectral changes correlate well with electrochemical activity and support a mechanism whereby capacity is lost upon extended cycling due to the formation of new manganese oxide phases. Raman mapping of both thin film and slurry electrodes charged to different voltages reveals significant variation in the local structure. Poor conductivity and slow kinetics associated with a two-phase reaction mechanism contribute to the heterogeneity.« less

  6. MnO{sub 2}@colloid carbon spheres nanocomposites with tunable interior architecture for supercapacitors

    SciTech Connect (OSTI)

    Zhang, Yuxin; Liu, Chuanpu; Wen, Zhongquan

    2014-01-01

    Graphical abstract: - Highlights: MnO{sub 2}@CSs nanocomposites have been successfully synthesized in room temperature. The composites exhibited three structures: coreshell, yolkshell and hollow structure. The yolkshell structure exhibited a high specific capacitance and cycling stability. - Abstract: MnO{sub 2}@colloid carbon spheres nanocomposites with tunable interior architecture have been synthesized by a facile and cost-effective strategy at room temperature. The structure and morphology of as-prepared nanocomposites were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), nitrogen adsorption, focused ion beam scanning electron microscopy (FIB/SEM) and high-resolution transmission electron microscopy (HRTEM). The as-obtained composites exhibited a three-dimensional architecture with coreshell, yolkshell and hollow interior structure. Furthermore, the electrochemical properties of composites were evaluated by cycle voltammetric (CV) and galvanostatic chargedischarge measurements. The yolkshell structure exhibited the optimized pseudocapacitance performance, revealing a specific capacitance (273 F g{sup ?1}) with a good rate and cycling stability, owing to its unique structure and the poor crystallinity of MnO{sub 2} nanofilms. Therefore, this facile synthetic strategy could be useful to design and synthesis of tunable nanostructures with enhanced supercapacitor behavior.

  7. Spin-phonon study of EuMn{sub 2}O{sub 5} nanorods

    SciTech Connect (OSTI)

    Hsu, Ting-Wei; Yang, Chung-Cheun Tong, Yong-Xiang; Shih, Wei-Jhe; Lin, Kuen-Song

    2015-05-07

    EuMn{sub 2}O{sub 5} multiferroic nanorods, with diameters radial (?L{sub C}?) lengths of 25(6) nm 47(15) nm and 51(16) nm 70(26) nm, were fabricated by the hydrothermal method. Ferrimagnetic ordering below 50?K (T*) is observed in the ?L{sub C}??=?70?nm sample, which exhibited ferromagnetic (FM) behavior below T* in a field cooling process. No similar behavior was found in the ?L{sub C}??=?47?nm sample. These observations reveal that only the ?L{sub C}??=?70?nm sample has a meta-FM state, and this sample exhibits the stronger coupling between the Mn ions. Raman spectra of both sets of samples were obtained in 0, 610, 1000, 1600, and 2000?G magnetic fields. The red-shift of the A{sub g} (681?cm{sup ?1}) mode of the both samples increased with the strength of the field above 1000?G, indicating the existence of spin-phonon interaction. The smaller sampled exhibited a larger red-shift, suggesting that the size importantly affects the of EuMn{sub 2}O{sub 5} nanorods.

  8. A XANES and EXAFS Study of Hydration and Ion Pairing in Ambient Aqueous MnBr[subscript 2] Solutions

    SciTech Connect (OSTI)

    Chen, Yongsheng; Fulton, John L.; Partenheimer, Walter

    2008-09-25

    Extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) spectroscopies were used to probe the first-shell coordination structure of Mn(II) in aqueous MnBr{sub 2} solutions at ambient conditions from very dilute to the near saturation limit. The Mn K-edge EXAFS spectra for 0.05 and 0.2 m solutions showed that there was no Br(-I) in the first shell, and that the Mn(II) was fully hydrated with six water molecules in an octahedral arrangement. In contrast, for 6 m solution, the coordination number of water was reduced to about 5, and an average of about one bromine atom was present in the first shell as a contact ion pair. The 1s {yields} 4p transition at 6545.5 eV confirmed the observation of Mn-Br contact ion pairs at high concentrations and the 1s {yields} 3d transition at 6539.5 eV showed that the first shell coordination symmetry remained octahedral even in the presence of Mn-Br ion pairs.

  9. Role of the antiferromagnetic pinning layer on spin wave properties in IrMn/NiFe based spin-valves

    SciTech Connect (OSTI)

    Gubbiotti, G. Tacchi, S.; Del Bianco, L.; Bonfiglioli, E.; Giovannini, L.; Spizzo, F.; Zivieri, R.; Tamisari, M.

    2015-05-07

    Brillouin light scattering (BLS) was exploited to study the spin wave properties of spin-valve (SV) type samples basically consisting of two 5 nm-thick NiFe layers (separated by a Cu spacer of 5 nm), differently biased through the interface exchange coupling with an antiferromagnetic IrMn layer. Three samples were investigated: a reference SV sample, without IrMn (reference); one sample with an IrMn underlayer (10 nm thick) coupled to the bottom NiFe film; one sample with IrMn underlayer and overlayer of different thickness (10 nm and 6 nm), coupled to the bottom and top NiFe film, respectively. The exchange coupling with the IrMn, causing the insurgence of the exchange bias effect, allowed the relative orientation of the NiFe magnetization vectors to be controlled by an external magnetic field, as assessed through hysteresis loop measurements by magneto-optic magnetometry. Thus, BLS spectra were acquired by sweeping the magnetic field so as to encompass both the parallel and antiparallel alignment of the NiFe layers. The BLS results, well reproduced by the presented theoretical model, clearly revealed the combined effects on the spin dynamic properties of the dipolar interaction between the two NiFe films and of the interface IrMn/NiFe exchange coupling.

  10. The structure of the Caenorhabditis elegans manganese superoxide dismutase MnSOD-3-azide complex

    SciTech Connect (OSTI)

    Hunter, Gary J.; Trinh, Chi H.; Bonetta, Rosalin; Stewart, Emma E.; Cabelli, Diane E.; Hunter, Therese

    2015-08-27

    C. elegans MnSOD-3 has been implicated in the longevity pathway and its mechanism of catalysis is relevant to the aging process and carcinogenesis. The structures of MnSOD-3 provide unique crystallographic evidence of a dynamic region of the tetrameric interface (residues 41–54). We have determined the structure of the MnSOD-3-azide complex to 1.77-Å resolution. The analysis of this complex shows that the substrate analog, azide, binds end-on to the manganese center as a sixth ligand and that it ligates directly to a third and new solvent molecule also positioned within interacting distance to the His30 and Tyr34 residues of the substrate access funnel. This is the first structure of a eukaryotic MnSOD-azide complex that demonstrates the extended, uninterrupted hydrogen-bonded network that forms a proton relay incorporating three outer sphere solvent molecules, the substrate analog, the gateway residues, Gln142, and the solvent ligand. This configuration supports the formation and release of the hydrogen peroxide product in agreement with the 5-6-5 catalytic mechanism for MnSOD. The high product dissociation constant k₄ of MnSOD-3 reflects low product inhibition making this enzyme efficient even at high levels of superoxide.

  11. Preparation and characterization of nanostructured NiO/MnO{sub 2} composite electrode for electrochemical supercapacitors

    SciTech Connect (OSTI)

    Liu Enhui Li Wen; Li Jian; Meng Xiangyun; Ding Rui; Tan Songting

    2009-05-06

    Nanostructured nickel-manganese oxides composite was prepared by the sol-gel and the chemistry deposition combination new route. The surface morphology and structure of the composite were characterized by scanning electron microscope and X-ray diffraction. The as-synthesized NiO/MnO{sub 2} samples exhibit higher surface area of 130-190 m{sup 2} g{sup -1}. Cyclic voltammetry and galvanostatic charge/discharge measurements were applied to investigate the electrochemical performance of the composite electrodes with different ratios of NiO/MnO{sub 2}. When the mass ratio of MnO{sub 2} and NiO in composite material is 80:20, the specific capacitance value of NiO/MnO{sub 2} calculated from the cyclic voltammetry curves is 453 F g{sup -1}, for pure NiO and MnO{sub 2} are 209, 330 F g{sup -1} in 6 mol L{sup -1} KOH electrolyte and at scan rate of 10 mV s{sup -1}, respectively. The specific capacitance of NiO/MnO{sub 2} electrode is much larger than that of each pristine component. Moreover, the composite electrodes showed high power density and stable electrochemical properties.

  12. Why MnIn{sub 2}O{sub 4} spinel is not a transparent conducting oxide?

    SciTech Connect (OSTI)

    Martinez-Lope, M.J.; Retuerto, M.; Calle, C. de la; Porcher, Florence

    2012-03-15

    The title compound has been synthesized by a citrate technique. The crystal structure has been investigated at room temperature from high-resolution neutron powder diffraction (NPD) data. It crystallizes in a cubic spinel structure, space group Fd3-bar m, Z=8, with a=9.0008(1) A at 295 K. It exhibits a crystallographic formula (Mn{sub 0.924(2)}In{sub 0.076(2)}){sub 8a}(In{sub 1.804(2)}Mn{sub 0.196(2)}){sub 16d}O{sub 4}, where 8a and 16d stand for the tetrahedral and octahedral sites of the spinel structure, respectively, with a slight degree of inversion, {lambda}=0.08. MnIn{sub 2}O{sub 4} shows antiferromagnetic interactions below T{sub N} Almost-Equal-To 40 K, due to the statistical distribution of Mn ions over the two available sites. Unlike the related MgIn{sub 2}O{sub 4} and CdIn{sub 2}O{sub 4} spinels, well known as transparent conducting oxides, MnIn{sub 2}O{sub 4} is not transparent and shows a poor conductivity ({sigma}=0.38 S cm{sup -1} at 1123 K): the presence of Mn ions, able to adopt mixed valence states, localizes the charges that, otherwise, would be delocalized in the spinel conduction band. - Graphical Abstract: From NPD data the crystallographic formula (Mn{sub 0.924(2)}In{sub 0.076(2)}){sub 8a}(In{sub 1.804(2)}Mn{sub 0.196(2)}){sub 16d}O{sub 4}, shows a slight degree of inversion, {lambda}=0.08 and a certain In deficiency. The presence of Mn ions, able to adopt mixed oxidation states, localize the charges that, otherwise, would be delocalized in the spinel conduction band; the presence of localized Mn{sup 2+} and Mn{sup 3+} ions provides the characteristic brown color. Highlights: Black-Right-Pointing-Pointer Accurate structural determination from NPD data: inversion degree (8%), and In deficiency. Black-Right-Pointing-Pointer Bond-valence indicates Mn{sup 2+}-Mn{sup 3+} ions; edge-sharing octahedra contain 90% In{sup 3+}+10% Mn{sup 3+} cations. Black-Right-Pointing-Pointer Conductivity several orders of magnitude lower than those of MgIn{sub 2}O{sub 4} or CdIn{sub 2}O{sub 4}. Black-Right-Pointing-Pointer Variability of Mn oxidation states cancels any electron-doping effect, emptying conduction band of mobile charge carriers. Black-Right-Pointing-Pointer Curie-Weiss behavior confirming the determined charge distribution.

  13. m/sup +/SR studies on pure MnF/sub 2/ and site-diluted (Mn/sub 0. 5/Zn/sub 0. 5/)F/sub 2/

    SciTech Connect (OSTI)

    Uemura, Y.J.; Keitel, R.; Senba, M.; Kiefl, R.F.; Kreitzman, S.R.; Noakes, D.R.; Brewer, J.H.; Harshman, D.R.; Ansaldo, E.J.; Crowe, K.M.

    1986-01-01

    Positive muon spin rotation and relaxation measurements have been carried out on the antiferromagnets, pure MnF/sub 2/ and site-diluted (Mn/sub 0.5/Zn/sub 0.5/)F/sub 2/, above and below the Neel temperature T/sub N/ using single-crystal specimens. Two different muon signals have been found in the pure MnF/sub 2/; with the precession frequency nu/sub A/ = 1.3 GHz for the site A and nu/sub B/ = 152 MHz for the site B measured in zero external magnetic field at T = 5 K. We propose a picture that the signal from the A site represents the ''muonium'' state, and discuss the characteristic features of muonium in magnetic materials. The spin relaxation rate 1/T/sub 1/, measured in zero external field, decreases rapidly with decreasing temperature below T/sub N/. The mechanism of the spin relaxation above T/sub N/ is explained by the exchange fluctuations of the Mn moments, while below T/sub N/ by the Raman scattering of spin waves. At the same normalized temperature T/T/sub N/, 1/T/sub 1/ observed in the diluted (Mn/sub 0.5/Zn/sub 0.5/)F/sub 2/ is significantly larger than that in the pure MnF/sub 2/ below T/sub N/. The difference between the pure and diluted systems is related to the large spectral weight of low-energy magnons in (Mn/sub 0.5/Zn/sub 0.5/)F/sub 2/ found by neutron scattering.

  14. Toward Joint Hypothesis-Tests Seismic Event Screening Analysis: Ms|mb and Event Depth

    SciTech Connect (OSTI)

    Anderson, Dale; Selby, Neil

    2012-08-14

    Well established theory can be used to combine single-phenomenology hypothesis tests into a multi-phenomenology event screening hypothesis test (Fisher's and Tippett's tests). Commonly used standard error in Ms:mb event screening hypothesis test is not fully consistent with physical basis. Improved standard error - Better agreement with physical basis, and correctly partitions error to include Model Error as a component of variance, correctly reduces station noise variance through network averaging. For 2009 DPRK test - Commonly used standard error 'rejects' H0 even with better scaling slope ({beta} = 1, Selby et al.), improved standard error 'fails to rejects' H0.

  15. Market Research Survey of Commercial Off-The-Shelf (COTS) Portable MS Systems for IAEA Safeguards Applications

    SciTech Connect (OSTI)

    Hart, Garret L.; Hager, George J.; Barinaga, Charles J.; Duckworth, Douglas C.

    2013-02-01

    This report summarizes the results for the market research survey of mass spectrometers that are deemed pertinent to International Atomic Energy Agency (IAEA) needs and strategic objectives. The focus of the report is on MS instruments that represent currently available (or soon to be) commercial off-the shelf (COTS) technology and weigh less than 400 pounds. A compilation of all available MS instruments (36 COTS and 2 R&D) is presented, along with pertinent information regarding each instrument.

  16. Effect of organic solvents on particle size of Mn{sub 3}O{sub 4} nanoparticles synthesized by a solvothermal method

    SciTech Connect (OSTI)

    Song, Rui; Feng, Shouhua; Wang, Hongjun; Hou, Changmin

    2013-06-15

    In this paper, a modified simple solvothermal method is employed to synthesize Mn{sub 3}O{sub 4} nanocrystals using four different solvents: acetone, ethanol, N,N-dimethylformamide (DMF), and dimethyl sulfoxide (DMSO). Mn{sub 3}O{sub 4} nanoparticles with a tetragonal hausmannite nano-structure are characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR), as well as superconducting quantum interference device magnetometer (SQUID). The Mn{sub 3}O{sub 4} particle size is found to have a strong dependency on the solvent used. A reaction scheme is proposed to understand this dependency, suggesting that the solvent coordinating capability has a critical effect on Mn{sub 3}O{sub 4} particle size. The stronger the coordinating capability of the solvent is, the smaller the Mn{sub 3}O{sub 4} particle size is. In addition, magnetic properties of the nano-structured Mn{sub 3}O{sub 4} are also tested and discussed. - Graphical abstract: The comparison of the particle size of Mn{sub 3}O{sub 4} nanoparticles synthesized using different solvents and HRTEM image of Mn{sub 3}O{sub 4} individual nanoparticle revealed its single-crystal nature. - Highlights: • Mn{sub 3}O{sub 4} nanocrystals were synthesized using different solvents by a solvothermal method. • The particle size of Mn{sub 3}O{sub 4} nanocrystal is found to have a strong dependency on the solvent used. • A reaction mechanism is proposed to explain the difference of particle size of Mn{sub 3}O{sub 4} nanocrystals. • Magnetic properties of Mn{sub 3}O{sub 4} nanocrystals with different particle size are tested and compared.

  17. Structure and magnetic properties of Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15}, a new 10H-polytype in the Ba-Ce-Mn-O system

    SciTech Connect (OSTI)

    Macias, Mario A.; Mentre, Olivier; Cuello, Gabriel J.; Gauthier, Gilles H.

    2013-02-15

    Based on the peculiar magnetic properties that are observed in pseudo one-dimensional manganites, we decided to synthesize the new Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} compound. The preparation was performed by solid state reaction in air at about 1350 Degree-Sign C, for which we found that the compound crystallizes in a hexagonal symmetry with space group P6{sub 3}/mmc (No-194) and cell parameters a=b=5.7861(2) A and c=23.902(1) A. The structural description was correlated with neutron diffraction and bond valence calculations, confirming the presence of Ce{sup 4+} and Mn{sup 4+} segregated in the different crystallographic positions. Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} displays evidence for strong AFM couplings already set at room temperature. The main arrangement of Mn{sup 4+} in magnetically isolated tetramers of face-sharing octahedra is responsible for a metamagnetic-like transition around 50 K. - Graphical abstract: The new Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} polytype shows strong AFM couplings in magnetically isolated [Ce{sub 0.25}Mn{sub 3.75}O{sub 15}] tetramers of face-sharing octahedral, resulting in a metamagnetic-like transition around 50 K. Highlights: Black-Right-Pointing-Pointer Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15}, a new 10H polytype, has been prepared in the Ba-Ce-Mn-O system. Black-Right-Pointing-Pointer The compound crystallizes in the P6{sub 3}/mmc space group with (cchhh){sub 2} stacking sequence. Black-Right-Pointing-Pointer [Ce{sub 0.25}Mn{sub 3.75}O{sub 15}] tetramers are separated by [CeO{sub 6}] octahedra in the structure. Black-Right-Pointing-Pointer Instead of robust AFM ordering, a metamagnetic-like transition is found around 50 K.

  18. Characterization of CMPO and its radiolysis products by Direct Infusion ESI-MS

    SciTech Connect (OSTI)

    G. S. Groenewold; G. Elias; B. J. Mincher; S. P. Mezyk

    2012-09-01

    Direct infusion electrospray ionization-mass spectrometry (ESI-MS) approaches were developed for rapid identification of octyl,phenyl,(N,N-(diisobutyl)carbamoylmethyl) phosphine oxide (CMPO) and impurity compounds formed during alpha and gamma irradiation experiments. CMPO is an aggressive Lewis base, and produces extremely abundant metal complex ions in the ESI-MS analysis that make identification of low abundance compounds that are less nucleophilic challenging. Radiolysis products were identified using several approaches including restricting ion trapping so as to exclude the abundant natiated CMPO ions, extraction of acidic products using aqueous NaOH, and extraction of basic products using HNO3. These approaches generated protonated, natiated and deprotonated species derived from CMPO degradation products formed via radiolytic cleavages of several different bonds. Cleavages of the amide and methylene-phosphoryl bonds appear to be favored by both forms of irradiation, while alpha irradiation also appears to induce cleavage of the methylene-carbonyl bond. The degradation products observed are formed from recombination of the initially formed radicals with hydrogen, methyl, isopropyl and hydroxyl radicals that are derived either from CMPO, or the dodecane solvent.

  19. Probing The Electrode/Electrolyte Interface in The Lithium Excess Layered Oxide Li1.2Ni0.2Mn0.6O2

    SciTech Connect (OSTI)

    Carroll, Kyler J; Qian, Danna; Fell, Chris; Calvin, Scott; Veith, Gabriel M; Chi, Miaofang; Dudney, Nancy J; Meng, Ying Shirley

    2013-01-01

    A detailed surface investigation of the lithium-excess nickel manganese layered oxide Li1.2Ni0.2Mn0.6O2 structure was carried out using x-ray photoelectron spectroscopy (XPS), total electron yield and transmission x-ray absorption spectroscopy (XAS), and electron energy loss spectroscopy (EELS) during the first two electrochemical cycles. All spectroscopy techniques consistently showed the presence of Mn4+ in the pristine material and a surprising reduction of Mn at the voltage plateau during the first charge. The Mn reduction is accompanied by the oxygen loss revealed by EELS. Upon the first discharge, the Mn at the surface never fully returns back to Mn4+. The electrode/electrolyte interface of this compound consists of the reduced Mn at the crystalline defect-spinel inner layer and an oxidized Mn species simultaneously with the presence of a superoxide species in amorphous outer layer. This proposed model signifies that oxygen vacancy formation and lithium removal result in electrolyte decomposition and superoxide formation, leading to Mn activation/dissolution and surface layer-spinel phase transformation. The results also indicate that the role of oxygen is complex and significant in contributing to the extra capacity of this class of high energy density cathode materials.

  20. Effect of Mn doping on the structural, optical, and magnetic properties of In{sub 2}O{sub 3} films

    SciTech Connect (OSTI)

    Wang, Shiqi; An, Yukai; Duan, Lingshen; Liu, Huarui; Liu, Jiwen; Wu, Zhonghua

    2013-11-15

    (In{sub 1−x}Mn{sub x}){sub 2}O{sub 3} films were grown by radio frequency-magnetron sputtering technique. Effect of Mn doping on the structural, optical, and magnetic properties of films is investigated systematically. The detailed structure analyses suggest that Mn ions substitute for In{sup 3+} sites of the In{sub 2}O{sub 3} lattice in the valence of +2 states, and Mn-related secondary phases or clusters as the source of ferromagnetism is safely ruled out. All films show typical room temperature ferromagnetism. The saturation magnetization M{sub s} increases first, and then decreases, while carrier concentration n{sub c} decreases monotonically with Mn doping, implying that the ferromagnetism is not directly induced by the mediated carriers. The optical bandgap E{sub g} of films decreases monotonically with the increase of Mn concentration, and there exists a linear functional dependence between E{sub g} and n{sub c}{sup 2/3}, which is consistent with Burstein-Moss shift arguments. It can be concluded that the ferromagnetic order in Mn-doped In{sub 2}O{sub 3} films is intrinsic, arising from Mn atoms substitution for the In sites of In{sub 2}O{sub 3} lattice. The oxygen vacancies play a mediation role on the ferromagnetic couplings between the Mn ions.

  1. In situ and ex situ spectroelectrochemical and X-ray absorption studies on rechargeable, chemically-modified and other MnO{sub 2} materials

    SciTech Connect (OSTI)

    Conway, B.E.; Qu, D.; McBreen, J. |

    1992-12-31

    A combined series of in situ and ex situ UV spectroelectrochemical and X-ray absorption studies have been made on MnO{sub 2}, chemically-modified by small amounts of Bi(III), and comparatively on other MnO{sub 2} materials such as a blank (Bi-free) and {gamma}-MnO{sub 2}. These procedures are applied in order to follow the oxidation-states of Bi and of Mn during the course of discharge and recharge of MnO{sub 2} as a battery cathode material, and the extents of rechargeability that can be achieved with such materials. Presence of Bi appears to provide a preferred ``heterogeneous`` discharge/recharge pathway involving a soluble Mn(III) intermediate, over the alternative ``electron-proton`` hopping, solid-state mechanism. From XAS results, it is concluded that presence of Bi, although not affecting the O-coordination, does influence the Mn-Mn coordination, determining the way the MnO{sub 2} coordination octahedra are connected.

  2. Mixed metallic Ba(Co,Mn)X{sub 0.2-x}O{sub 3-{delta}} (X=F, Cl) hexagonal perovskites

    SciTech Connect (OSTI)

    Iorgulescu, Mihaela; Roussel, Pascal; Tancret, Nathalie; Renaut, Nicolas; Tiercelin, Nicolas; Mentre, Olivier

    2013-02-15

    We show here that the incorporation of Mn in Ba-Co-oxohalide, BaCoX{sub 0.2-x}O{sub 3-{delta}}, hexagonal perovskite stabilizes the 6H-form (stacking sequence (chhhch Prime ); c, h=[BaO{sub 3}] and h Prime =[BaOX] layers), with tetramers of face-sharing octahedra) rather than the trimeric 10H-form. On the contrary to previous results on the Fe incorporation in similar system leading to more reduced 10H-compounds, the Mn effect is to increase the mean (Co/Mn) valence better suited to the 6H form. We experienced a poor Mn/Co miscibility during our syntheses leading to great difficulties to isolate mixed Co/Mn single phase materials and/or weak reproducibility. Powder neutron diffraction data shows a mixed Mn/Co octahedral occupancy, while the tetrahedra are filled by Co{sup 3+} cations. Anionic vacancies were refined in the h Prime -[BaO{sub 1-z}X{sub 1-x}] layer and the next c-[BaO{sub 3-z}] layers, while the h-[BaO{sub 3}] layers are not oxygen deficient. Magnetic properties suggest that a part of Mn cations remain paramagnetic until low temperature, while isolated spin clusters (probably driven by AFM Co tetrahedral dimers) behave as low-dimensional AFM systems. Transport measurements reveal a transition from high-temperature metallic to low-temperature semi-conducting states that could occur from defect shallow donor upon the Mn for Co substitution. - Graphical abstract: The incorporation of Mn in Ba-Co-oxohalide, BaCoX{sub 0.2-x}O{sub 3-{delta}}, hexagonal perovskite stabilizes the 6H-form with tetrameric (Co,Mn){sub 4}O{sub 15} face sharing linear chains. This results from a oxidizing Mn effect and particular Mn/Co distribution. Highlights: Black-Right-Pointing-Pointer The incorporation of Mn in BaCoX{sub 0.2-x}O{sub 3-{delta}} (X=F,Cl) hexagonal perovskites stabilizes the 6H-form. Black-Right-Pointing-Pointer It contains tetrameric (Co,Mn){sub 4}O{sub 15} face sharing linear chains. Black-Right-Pointing-Pointer The preference for such chains better than trimeric ones is due to the Manganese oxidizing effect. Black-Right-Pointing-Pointer A particular Mn/Co distribution was evidenced. Black-Right-Pointing-Pointer Transport and magnetic properties drastically change during the Mn incorporation.

  3. Reduction of Solvent Effect in Reverse Phase Gradient Elution LC-ICP-MS

    SciTech Connect (OSTI)

    Patrick Allen Sullivan

    2005-12-17

    Quantification in liquid chromatography (LC) is becoming very important as more researchers are using LC, not as an analytical tool itself, but as a sample introduction system for other analytical instruments. The ability of LC instrumentation to quickly separate a wide variety of compounds makes it ideal for analysis of complex mixtures. For elemental speciation, LC is joined with inductively coupled plasma mass spectrometry (ICP-MS) to separate and detect metal-containing, organic compounds in complex mixtures, such as biological samples. Often, the solvent gradients required to perform complex separations will cause matrix effects within the plasma. This limits the sensitivity of the ICP-MS and the quantification methods available for use in such analyses. Traditionally, isotope dilution has been the method of choice for LC-ICP-MS quantification. The use of naturally abundant isotopes of a single element in quantification corrects for most of the effects that LC solvent gradients produce within the plasma. However, not all elements of interest in speciation studies have multiple naturally occurring isotopes; and polyatomic interferences for a given isotope can develop within the plasma, depending on the solvent matrix. This is the case for reverse phase LC separations, where increasing amounts of organic solvent are required. For such separations, an alternative to isotope dilution for quantification would be is needed. To this end, a new method was developed using the Apex-Q desolvation system (ESI, Omaha, NE) to couple LC instrumentation with an ICP-MS device. The desolvation power of the system allowed greater concentrations of methanol to be introduced to the plasma prior to destabilization than with direct methanol injection into the plasma. Studies were performed, using simulated and actual linear methanol gradients, to find analyte-internal standard (AIS) pairs whose ratio remains consistent (deviations {+-} 10%) over methanol concentration ranges of 5%-35% (simulated) and 8%-32% (actual). Quadrupole (low resolution) and sector field (high resolution) ICP-MS instrumentation were utilized in these studies. Once an AIS pair is determined, quantification studies can be performed. First, an analysis is performed by adding both elements of the AIS pair post-column while performing the gradient elution without sample injection. A comparison of the ratio of the measured intensities to the atomic ratio of the two standards is used to determine a correction factor that can be used to account for the matrix effects caused by the mobile phase. Then, organic and/or biological molecules containing one of the two elements in the AIS pair are injected into the LC column. A gradient method is used to vary the methanol-water mixture in the mobile phase and to separate out the compounds in a given sample. A standard solution of the second ion in the AIS pair is added continuously post-column. By comparing the ratio of the measured intensities to the atomic ratio of the eluting compound and internal standard, the concentration of the injected compound can be determined.

  4. REVISED MD-110 REFERENCE GUIDE SEPTERMBER 2015

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... See Bulluck v. Department of Veterans Affairs, EEOC Appeal No. 0120114276 (Mar. 14, 2012); Richardson v. U.S. Postal Service, EEOC Appeal No. 0120111122 (Feb. 1, 2012); and ...

  5. Alfred L. Frechette, M.D. COYYISIIONE~

    Office of Legacy Management (LM)

    E. Nott. Mrector Envlromental Control Technology Dlvlslon bee: AeoSpa&-- WEMott, 'ECT EV-131 AJWhitman 121079 EV-131:AJ man:ngm:112179: Retyped 121079 REF: MC 66089...

  6. Structural and Chemical Evolution of Li- and Mn-rich Layered Cathode Material

    SciTech Connect (OSTI)

    Zheng, Jianming; Xu, Pinghong; Gu, Meng; Xiao, Jie; Browning, Nigel D.; Yan, Pengfei; Wang, Chong M.; Zhang, Jiguang

    2015-02-24

    Lithium (Li)- and manganese-rich (LMR) layered-structure materials are very promising cathodes for high energy density lithium-ion batteries. However, their voltage fading mechanism and its relationships with fundamental structural changes are far from being sufficiently understood. Here we report the detailed phase transformation pathway in the LMR cathode (Li[Li0.2Ni0.2Mn0.6]O2) during cycling for the samples prepared by hydro-thermal assistant method. It is found the transformation pathway of LMR cathode is closely correlated to its initial structure and preparation conditions. The results reveal that LMR cathode prepared by HA approach experiences a phase transformation from the layered structure to a LT-LiCoO2 type defect spinel-like structure (Fd-3m space group) and then to a disordered rock-salt structure (Fm-3m space group). The voltage fade can be well correlated with the Li ion insertion into octahedral sites, rather than tetrahedral sites, in both defect spinel-like structure and disordered rock-salt structure. The reversible Li insertion/removal into/from the disordered rock-salt structure is ascribed to the Li excess environment that can satisfy the Li percolating in the disordered rock-salt structure despite the increased kinetic barrier. Meanwhile, because of the presence of a great amount of oxygen vacancies, a significant decrease of Mn valence is detected in the cycled particle, which is below that anticipated for a potentially damaging Jahn-Teller distortion (+3.5). Clarification of the phase transformation pathway, cation redistribution, oxygen vacancy and Mn valence change undoubtedly provides insights into a profound understanding on the voltage fade, and capacity degradation of LMR cathode. The results also inspire us to further enhance the reversibility of LMR cathode via improving its surface structural stability.

  7. Phase transformation during mechano-synthesis of nanocrystalline/amorphous Fe32Mn6Si alloys

    SciTech Connect (OSTI)

    Amini, Rasool; Shamsipoor, Ali; Ghaffari, Mohammad; Alizadeh, Morteza; Okyay, Ali Kemal

    2013-10-15

    Mechano-synthesis of Fe32Mn6Si alloy by mechanical alloying of the elemental powder mixtures was evaluated by running the ball milling process under an inert argon gas atmosphere. In order to characterize the as-milled powders, powder sampling was performed at predetermined intervals from 0.5 to 192 h. X-ray florescence analyzer, X-ray diffraction, scanning electron microscope, and high resolution transmission electron microscope were utilized to investigate the chemical composition, structural evolution, morphological changes, and microstructure of the as-milled powders, respectively. According to the results, the nanocrystalline FeMnSi alloys were completely synthesized after 48 h of milling. Moreover, the formation of a considerable amount of amorphous phase during the milling process was indicated by quantitative X-ray diffraction analysis as well as high resolution transmission electron microscopy image and its selected area diffraction pattern. It was found that the ?-to-? and subsequently the amorphous-to-crystalline (especially martensite) phase transformation occurred by milling development. - Graphical abstract: Mechano-synthesis of nanocrystalline/amorphous Fe32Mn6Si shape memory alloys in the powder form: amorphous phase formation, ?-to-? phase transformation, mechano-crystallization of the amorphous, and martensite phase formation during the process. Highlights: During MA, the ?-to-? phase transformation and amorphization occurred. Mechano-crystallization of the amorphous phase occurred at sufficient milling time. The formation of high amount of ?-martensite was evidenced at high milling times. The platelet, spherical, and then irregular particle shapes was extended by MA. By MA, the particles size was increased, then reduced, and afterward re-increased.

  8. Generation and control of spin-polarized photocurrents in GaMnAs heterostructures

    SciTech Connect (OSTI)

    Bezerra, Anibal T. Farinas, Paulo F.; Studart, Nelson; Degani, Marcos H.; Maialle, Marcelo Z.

    2014-01-13

    Photocurrents are calculated for a specially designed GaMnAs semiconductor heterostructure. The results reveal regions in the infrared range of the energy spectrum, in which the proposed structure is remarkably spin-selective. For such photon energies, the generated photocurrents are strongly spin-polarized. Application of a relatively small static bias in the growth direction of the structure is predicted to efficiently reverse the spin-polarization for some photon energies. This behavior suggests the possibility of conveniently simple switching mechanisms. The physics underlying the results is studied and understood in terms of the spin-dependent properties emerging from the particular potential profile of the structure.

  9. Magnetocrystalline Anisotropy in UMn2Ge2 and Related Mn-based Actinide Ferromagnets

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Parker, David S; Mandrus, D.; Ghimire, N J; Baumbach, Ryan; Singleton, John; Thompson, J.D.; Bauer, Eric D.; Li, Ling; Singh, David J

    2015-01-01

    We present magnetization isotherms in pulsed magnetic fields up to 62 Tesla, supported by first principles calculations, demonstrating a huge uniaxial magnetocrystalline anisotropy energy - approximately 20 MJ/m3 - in UMn2Ge2. This large anisotropy results from the extremely strong spin-orbit coupling affecting the uranium 5 f electrons, which in the calculations exhibit a substantial orbital moment exceeding 2 Bohr magnetons. We also find from theoretical calculations that a number of isostructural Mn-actinide compounds are expected to have similarly large anisotropy.

  10. Half metallic ferromagnetism in alkali metal nitrides MN (M = Rb, Cs): A first principles study

    SciTech Connect (OSTI)

    Murugan, A. Rajeswarapalanichamy, R. Santhosh, M. Sudhapriyanga, G.; Kanagaprabha, S.

    2014-04-24

    The structural, electronic and elastic properties of two alkali metal nitrides (MN: M= Rb, Cs) are investigated by the first principles calculations based on density functional theory using the Vienna ab-initio simulation package. At ambient pressure the two nitrides are stable in ferromagnetic state with CsCl structure. The calculated lattice parameters are in good agreement with the available results. The electronic structure reveals that these materials are half metallic in nature. A pressure-induced structural phase transition from CsCl to ZB phase is observed in RbN and CsN.

  11. Vacancy dynamic in Ni-Mn-Ga ferromagnetic shape memory alloys

    SciTech Connect (OSTI)

    Merida, D.; Snchez-Alarcos, V.; Prez-Landazbal, J. I.; Recarte, V.; Plazaola, F.

    2014-06-09

    Vacancies control any atomic ordering process and consequently most of the order-dependent properties of the martensitic transformation in ferromagnetic shape memory alloys. Positron annihilation spectroscopy demonstrates to be a powerful technique to study vacancies in NiMnGa alloys quenched from different temperatures and subjected to post-quench isothermal annealing treatments. Considering an effective vacancy type the temperature dependence of the vacancy concentration has been evaluated. Samples quenched from 1173?K show a vacancy concentration of 1100??200?ppm. The vacancy migration and formation energies have been estimated to be 0.55??0.05?eV and 0.90??0.07?eV, respectively.

  12. Direct evidence of detwinning in polycrystalline Ni-Mn-Ga ferromagnetic shape memory alloys during deformation.

    SciTech Connect (OSTI)

    Nie, Z. H.; Lin Peng, R.; Johansson, S.; Oliver, E. C.; Ren, Y.; Wang, Y. D.; Liu, Y. D.; Deng, J. N.; Zuo, L.; Brown, D. E.; Northwestern Univ., China; Linkoping Univ.; Rutherford Appleton Lab.; Northern Illinois Univ.

    2008-01-01

    In situ time-of-flight neutron diffraction and high-energy x-ray diffraction techniques were used to reveal the preferred reselection of martensite variants through a detwinning process in polycrystalline Ni-Mn-Ga ferromagnetic shape memory alloys under uniaxial compressive stress. The variant reorientation via detwinning during loading can be explained by considering the influence of external stress on the grain/variant orientation-dependent distortion energy. These direct observations of detwinning provide a good understanding of the deformation mechanisms in shape memory alloys.

  13. Magnetic domain wall manipulation in (Ga,Mn)As nanostructures for spintronic applications

    SciTech Connect (OSTI)

    Wosinski, Tadeusz; Andrearczyk, Tomasz; Figielski, Tadeusz; Olender, Karolina; Wrobel, Jerzy

    2014-02-21

    Ring-shaped nanostructures have been designed and fabricated by electron-beam lithography patterning and chemical etching from thin epitaxial layers of the ferromagnetic semiconductor (Ga,Mn)As. The nanostructures, in a form of planar rings with a slit, were supplied with four electrical terminals and subjected to magneto-transport studies under planar weak magnetic field. Magnetoresistive effects caused by manipulation of magnetic domain walls and magnetization reversal in the nanostructures have been investigated and possible applications of the nanostructures as four-terminal spintronic devices are discussed.

  14. Magnetoelastic Coupling and Symmetry Breaking in the Frustrated Antiferromagnet {alpha}-NaMnO{sub 2}

    SciTech Connect (OSTI)

    Giot, Maud; Chapon, Laurent C.; Radaelli, Paolo G.; Androulakis, John; Lappas, Alexandros; Green, Mark A.

    2007-12-14

    The magnetic and crystal structures of the {alpha}-NaMnO{sub 2} have been determined by high-resolution neutron powder diffraction. The system maps out a frustrated triangular spin lattice with anisotropic interactions that displays two-dimensional spin correlations below 200 K. Magnetic frustration is lifted through magneto-elastic coupling, evidenced by strong anisotropic broadening of the diffraction profiles at high temperature and ultimately by a structural phase transition at 45 K. In this low-temperature regime a three-dimensional antiferromagnetic state is observed with a propagation vector k=((1/2),(1/2),0)

  15. Magnetic and transport properties of Mn{sub 2}CoAl oriented films

    SciTech Connect (OSTI)

    Jamer, Michelle E.; Assaf, Badih A.; Devakul, Trithep; Heiman, Don

    2013-09-30

    The structure, magnetic, and transport properties of thin films of the Heusler ferrimagnet Mn{sub 2}CoAl have been investigated for properties related to spin gapless semiconductors. Oriented films were grown by molecular beam epitaxy on GaAs substrates and the structure was found to transform from tetragonal to cubic for increasing annealing temperature. The anomalous Hall resistivity is found to be proportional to the square of the longitudinal resistivity and magnetization expected for a topological Berry curvature origin. A delicate balance of the spin-polarized carrier type when coupled with voltage gate-tuning could significantly impact advanced electronic devices.

  16. Neutron structural characterization, inversion degree and transport properties of NiMn{sub 2}O{sub 4} spinel prepared by the hydroxide route

    SciTech Connect (OSTI)

    Sagua, A.; Lescano, Gabriela M.; Alonso, J.A.; Martínez-Coronado, R.; Fernández-Díaz, M.T.; Morán, E.

    2012-06-15

    Graphical abstract: A pure specimen has been synthesized by the hydroxide route. This spinel, studied by NPD, shows an important inversion degree, λ = 0.80. A bond-valence study shows that the tetrahedral Mn ions are divalent whereas the octahedral Mn and Ni are slightly oxidized from the expected 3+ and 2+ values, respectively. The mixed valence Mn{sup 3+}/Mn{sup 4+} accounts for a hopping mechanism between adjacent octahedral sites, leading to a significant conductivity. Highlights: ► A low-temperature hydroxide route allowed preparing almost pure specimens of NiMn{sub 2}O{sub 4}. ► NPD essential to determine inversion degree; contrasting Ni and Mn for neutrons. ► Bond valence establishes valence state of octahedral and tetrahedral Ni and Mn ions. ► Thermal analysis, transport measurements complement characterization of this oxide. ► A structure–properties relationship is established. -- Abstract: The title compound has been synthesized by the hydroxide route. The crystal structure has been investigated at room temperature from high-resolution neutron powder diffraction (NPD) data. It crystallizes in a cubic spinel structure, space group Fd3{sup ¯}m, Z = 8, with a = 8.3940(2) Å at 295 K. The crystallographic formula is (Ni{sub 0.202(1)}Mn{sub 0.798(1)}){sub 8a}(Ni{sub 0.790(1)}Mn{sub 1.210(1)}){sub 16d}O{sub 4} where 8a and 16d stand for the tetrahedral and octahedral sites of the spinel structure, respectively. There is a significant inversion degree of the spinel structure, λ = 0.80. In fact, the variable parameter for the oxygen position, u = 0.2636(4), is far from that expected (u = 0.25) for normal spinels. From a bond-valence study, it seems that the valence distribution in NiMn{sub 2}O{sub 4} spinel is not as trivial as expected (Ni{sup 2+} and Mn{sup 3+}), but clearly the tetrahedral Mn ions are divalent whereas the octahedral Mn and Ni are slightly oxidized from the expected +3 and +2 values, respectively. The mixed valence observed at the octahedral sites provides the charge carriers that, by a hopping mechanism between Mn{sup 3+}/Mn{sup 4+} adjacent sites, leads to a significant conductivity, up to 0.85 S cm{sup −1} at 800 °C in air.

  17. Calculations of structural, elastic, electronic, magnetic and phonon properties of FeNiMnAl by the first principles

    SciTech Connect (OSTI)

    U?ur, ?ule; ?yigr, Ahmet

    2014-10-06

    The electronic, elastic and dynamical properties of the quaternary alloy FeNiMnAl have been investigated using a pseudopotential plane wave method within the generalized gradient approximation (GGA). We determined the lattice parameters and the bulk modulus B. In addition, the elastic properties such as elastic constans (C{sub 11}, C{sub 12} and C{sub 44}), the shear modulus G, the young modulus E, the poisson's ratio ? and the B/G ratio are also given. The FeNiMnAl Heusler alloy exhibit a ferromagnetic half-metallic behavior with the total magnetic moment of 4.02 ?{sub B}. The phonon dispersion of FeNiMnAl has been performed using the density functional theory and the direct method with 222 supercell.

  18. Depth-dependent magnetism in epitaxial MnSb thin films: effects of surface passivation and cleaning

    SciTech Connect (OSTI)

    Aldous J. D.; Sanchez-Hanke C.; Burrows, C.W.; Maskery, I.; Brewer, M.S.; Hase, T.P.A.; Duffy, J.A.; Lees, M. Rs; Decoster, T.; Theis, W.; Quesada, A.; Schmid, A.K.; Bell, G.R.

    2012-03-15

    Depth-dependent magnetism in MnSb(0001) epitaxial films has been studied by combining experimental methods with different surface specificities: polarized neutron reflectivity, x-ray magnetic circular dichroism (XMCD), x-ray resonant magnetic scattering and spin-polarized low energy electron microscopy (SPLEEM). A native oxide {approx}4.5 nm thick covers air-exposed samples which increases the film's coercivity. HCl etching efficiently removes this oxide and in situ surface treatment of etched samples enables surface magnetic contrast to be observed in SPLEEM. A thin Sb capping layer prevents oxidation and preserves ferromagnetism throughout the MnSb film. The interpretation of Mn L{sub 3,2} edge XMCD data is discussed.

  19. Pentaerythritol Tetranitrate (PETN) Surveillance by HPLC-MS: Instrumental Parameters Development

    SciTech Connect (OSTI)

    Harvey, C A; Meissner, R

    2005-11-04

    Surveillance of PETN Homologs in the stockpile here at LLNL is currently carried out by high performance liquid chromatography (HPLC) with ultra violet (UV) detection. Identification of unknown chromatographic peaks with this detection scheme is severely limited. The design agency is aware of the limitations of this methodology and ordered this study to develop instrumental parameters for the use of a currently owned mass spectrometer (MS) as the detection system. The resulting procedure would be a ''drop-in'' replacement for the current surveillance method (ERD04-524). The addition of quadrupole mass spectrometry provides qualitative identification of PETN and its homologs (Petrin, DiPEHN, TriPEON, and TetraPEDN) using a LLNL generated database, while providing mass clues to the identity of unknown chromatographic peaks.

  20. Mass Spectrometry Data from the Biological MS Data and Software Distribution Center

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Anderson, Gordon

    The mass spectrometry capabilities at Pacific Northwest National Laboratory (PNNL) are primarily applied to biological research, with an emphasis on proteomics and metabolomics. Many of these cutting-edge mass spectrometry capabilities and bioinformatics methods are housed in the Department of Energy's Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility operated by PNNL. These capabilities have been developed and acquired through cooperation between the EMSL national scientific user program and PNNL programmatic research. At the website of the Biological MS Data and Software Distribution Center, the following resources are made available: PNNL-developed software tools and source code, PNNL-generated raw data and processed results, links to publications that used the data and results available on this site, and tutorials and user manuals. [taken from http://omics.pnl.gov/

  1. Elemental speciation in biomolecules by LC-ICP-MS with magnetic sector and collision cell instruments

    SciTech Connect (OSTI)

    Wang, Jin

    1999-11-08

    A methodology that can monitor and identify inorganic elements in biological and environmental systems was developed. Size exclusion chromatography (SEC) separates biomolecules, which are then nebulized by a microconcentric nebulizer. The resulting aerosol is desolved and introduced into either a high resolution ICP-MS device or a quadrupole device with a collision cell. Because of the high sensitivity and spectral resolution and high sample introduction efficiency, many unusual or difficult elements, such as Cr, Se, Cd and U, can be observed at ambient levels bound to proteins in human serum. These measurements are made in only a few minutes without preliminary isolation and preconcentration steps. Serum samples can be titrated with spikes of various elements to determine which proteins bind a given metal and oxidation state. Experiments concerning the effects of breaking disulfide linkages and denaturation on metal binding in proteins were also investigated. Elemental distribution in liver extract was also obtained.

  2. Application of Printed Circuit Board Technology to FT-ICR MS Analyzer Cell Construction and Prototyping

    SciTech Connect (OSTI)

    Leach, Franklin E.; Norheim, Randolph V.; Anderson, Gordon A.; Pasa-Tolic, Ljiljana

    2014-12-01

    Although Fourier transform ion cyclotron resonance mass spectrometry (FT-ICRMS) remains themass spectrometry platform that provides the highest levels of performance for mass accuracy and resolving power, there is room for improvement in analyzer cell design as the ideal quadrupolar trapping potential has yet to be generated for a broadband MS experiment. To this end, analyzer cell designs have improved since the field’s inception, yet few research groups participate in this area because of the high cost of instrumentation efforts. As a step towards reducing this barrier to participation and allowing for more designs to be physically tested, we introduce a method of FT-ICR analyzer cell prototyping utilizing printed circuit boards at modest vacuum conditions. This method allows for inexpensive devices to be readily fabricated and tested over short intervals and should open the field to laboratories lacking or unable to access high performance machine shop facilities because of the required financial investment.

  3. Studies on the content of heavy metals in Aries River using ICP-MS

    SciTech Connect (OSTI)

    Voica, Cezara Kovacs, Melinda Feher, Ioana

    2013-11-13

    Among the industrial branches, the mining industry has always been an important source of environmental pollution, both aesthetically and chemically. Through this paper results of ICP-MS characterization of Aries River Basin are reported. Mining activities from this area has resulted in contamination of environment and its surrounding biota. This is clearly evidenced in analyzed water samples, especially from Baia de Aries site where increased amount of trace elements as Cr, Zn, As, Se, Cd, Pb and U were founded. Also in this site greater amount of rare earth elements was evidenced also. Through monitoring of Aries River from other non-mining area it was observed that the quantitative content of heavy metals was below the maximum permissible levels which made us to conclude that the water table wasn't seriously affected (which possibly might be attributed to the cessation of mining activities in this area from a few years ago)

  4. Profiling of Adrenocorticotropic Hormone and Arginine Vasopressin in Human Pituitary Gland and Tumor Thin Tissue Sections using Droplet-Based Liquid Microjunction Surface Sampling-HPLC-ESI-MS/MS

    SciTech Connect (OSTI)

    Kertesz, Vilmos; Van Berkel, Gary J; Calligaris, David; Feldman, Daniel R; Changelian, Armen; Laws, Edward R; Santagata, Sandro; Agar, Nathalie YR

    2015-01-01

    Described here are the results from the profiling of the proteins arginine vasopressin (AVP) and adrenocorticotropic hormone (ACTH) from normal human pituitary gland and pituitary adenoma tissue sections using a fully automated droplet-based liquid microjunction surface sampling-HPLC-ESI-MS/MS system for spatially resolved sampling, HPLC separation, and mass spectral detection. Excellent correlation was found between the protein distribution data obtained with this droplet-based liquid microjunction surface sampling-HPLC-ESI-MS/MS system and those data obtained with matrix assisted laser desorption ionization (MALDI) chemical imaging analyses of serial sections of the same tissue. The protein distributions correlated with the visible anatomic pattern of the pituitary gland. AVP was most abundant in the posterior pituitary gland region (neurohypophysis) and ATCH was dominant in the anterior pituitary gland region (adenohypophysis). The relative amounts of AVP and ACTH sampled from a series of ACTH secreting and non-secreting pituitary adenomas correlated with histopathological evaluation. ACTH was readily detected at significantly higher levels in regions of ACTH secreting adenomas and in normal anterior adenohypophysis compared to non-secreting adenoma and neurohypophysis. AVP was mostly detected in normal neurohypophysis as anticipated. This work demonstrates that a fully automated droplet-based liquid microjunction surface sampling system coupled to HPLC-ESI-MS/MS can be readily used for spatially resolved sampling, separation, detection, and semi-quantitation of physiologically-relevant peptide and protein hormones, such as AVP and ACTH, directly from human tissue. In addition, the relative simplicity, rapidity and specificity of the current methodology support the potential of this basic technology with further advancement for assisting surgical decision-making.

  5. Itinerant Antiferromagnetism in FeMnP0.8Si0.2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sales, Brian C.; Susner, Michael A.; Conner, Benjamin S.; Yan, Jiaqiang Q.; May, Andrew F.

    2015-01-01

    Compounds based on the Fe2P structure have continued to attract interest because of the interplay between itinerant and localized magnetism in a noncentrosymmetric crystal structure, and because of the recent developments of these materials for magnetocaloric applications. We report the growth and characterization of millimeter-sized single crystals of FeMnP0.8Si0.2 with the Fe2P structure. Single-crystal x-ray diffraction, magnetization, resistivity, and Hall and heat capacity data are reported. The crystals exhibit itinerant antiferromagnetic order below 158 K with no hint of ferromagnetic behavior in the magnetization curves and with the spins ordered primarily in the ab plane. The room-temperature resistivity is closemore » to the Ioffe-Regel limit for a metal. Single-crystal x-ray diffraction indicates a strong preference for Mn to occupy the larger pyramidal 3g site. The cation site preference in the as-grown crystals and the antiferromagnetism were not changed after high-temperature anneals and a rapid quench to room temperature« less

  6. Electronic phase separation in lanthanum manganites: Evidence from {sup 55}Mn NMR

    SciTech Connect (OSTI)

    Allodi, G.; De Renzi, R.; Guidi, G.; Licci, F.; Pieper, M.W.

    1997-09-01

    {sup 55}Mn NMR experiments were carried out at 1.3{endash}4.2 K on six samples of lanthanum manganites, with a hole doping concentration ranging from the antiferromagnetic-insulator to the ferromagnetic-conductor region of the phase diagram. The dependence of the resonance frequencies on external fields is either as expected for ferromagnets (FM) or for antiferromagnets (AF). No indication of a canted phase could be detected. FM and AF resonances were found to coexist in all samples and are grouped in three broad bands, whose frequencies do not depend in first order on hole concentration. Strong evidence of interaction between AF and FM regions was provided by longitudinal relaxation experiments in several samples. An explanation of this behavior is offered in terms of intrinsic phase separation of the holes into FM microdomains. We determine the {sup 55}Mn hyperfine coupling to be isotropic in all cases, with A=6.2T/{mu}{sub B} for the on-site term in the AF domains. {copyright} {ital 1997} {ital The American Physical Society}

  7. Electronic and Magnetic Properties of Li1.5Mn0.5As Alloys in the Cu2Sb

    Office of Scientific and Technical Information (OSTI)

    Structure (Conference) | SciTech Connect Conference: Electronic and Magnetic Properties of Li1.5Mn0.5As Alloys in the Cu2Sb Structure Citation Details In-Document Search Title: Electronic and Magnetic Properties of Li1.5Mn0.5As Alloys in the Cu2Sb Structure Authors: Fong, C Y ; Damewood, L ; Yang, L H ; Felser, C Publication Date: 2012-12-03 OSTI Identifier: 1072409 Report Number(s): LLNL-PROC-606953 DOE Contract Number: W-7405-ENG-48 Resource Type: Conference Resource Relation: Conference:

  8. Electronic and Magnetic Properties of Li1.5Mn0.5As Alloys in the Cu2Sb

    Office of Scientific and Technical Information (OSTI)

    Structure (Conference) | SciTech Connect Conference: Electronic and Magnetic Properties of Li1.5Mn0.5As Alloys in the Cu2Sb Structure Citation Details In-Document Search Title: Electronic and Magnetic Properties of Li1.5Mn0.5As Alloys in the Cu2Sb Structure × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize

  9. LaL2SrL8Mn207BelowTc : Exchange StricthR ECEI VED

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    088-00-105 58916-00-105 9714E3 co C--q 03/64 - 1 Sign Reversal of the MN-0 bond Compressibility r in LaL2SrL8Mn207BelowTc : Exchange StricthR ECEI VED in the Ferromagnetic State JUL Q 7 1997 O S T I D. N. Argyriout§ J. F. Mitchell, J. B. Goodenough * , 0. Chmaissemt S. Short, and J. D. Jorgensen t Science and Technology Center for Superconductivity and Materials Science Division Argonne National Laboratory Argonne, IL 60439 * Center for Materials Science and Engineering, ECT 9.102 University of

  10. Influence of defects on the structural and magnetic properties of multifunctional La2NiMnO6 thin films

    SciTech Connect (OSTI)

    Guo, HZ; Burgess, J; Ada, E; Street, S; Gupta, A.; Iliev, M N; Kellock, A J; Magen Dominguez, Cesar; Varela del Arco, Maria; Pennycook, Stephen J

    2008-01-01

    Thin films of the double perovskite La2NiMnO6 (LNMO) have been grown on various lattice-matched substrates (SrTiO3, LaAlO3, NdGaO3 and MgO) by pulsed laser deposition under varying oxygen background pressure (25 - 800 mTorr). The out-of-plane lattice constant of the LNMO film initially decreases with increasing pressure, likely caused by a reduction in the defect concentration and improved structural ordering, before leveling off at higher pressures. Scanning transmission electron microscopy results show that the films are epitaxial, and the interface is sharp and coherent. While very few defects are observed by STEM in a film grown at high oxygen pressure (800 mTorr), a film grown at a lower pressure (100 mTorr) shows the formation of defects that extend throughout the thickness except for a very thin layer near the interface. The Raman spectra of the films are dominated by two broad peaks at around 540 cm-1 and 685 cm-1, which are assigned to the antisymmetric stretching (AS) and symmetric stretching (S) modes of MnO6 and NiO6 octahedra, respectively. The Raman peaks of the LNMO thin films grown in 800 mTorr background O2 are blue shifted in comparison to those of LNMO bulk, and the shift increases with decreasing film thickness, indicating the increased influence of strain. The critical thickness for strain relaxation as determined from the Raman spectra is between 40 - 80 nm. The strain is observed to have a negligible influence on the magnetic properties for films grown at high oxygen pressures. However, films grown at low pressures exhibit degraded magnetic properties, which can be attributed to a combination of B-site cation disorder and an increase in the concentration of Mn3+ and Ni3+ Jahn-Teller ions caused by oxygen defects. With increasing oxygen pressure during growth, the paramagnetic-ferromagnetic transition temperature (~280 K) gets sharper and the saturation magnetization at low temperatures is enhanced. Based on electron energy loss spectroscopy studies, the Mn and Ni ions in LNMO thin films are determined to be mixed-valent Mn3+/Mn4 +, and a charge transition disproportionation of the type Mn4+ + Ni2+ _ Mn3+ + Ni3+ likely occurs with increasing oxygen deficiency.

  11. Spectroscopic and magnetic properties of Mn doped GaN epitaxial films grown by plasma assisted molecular beam epitaxy

    SciTech Connect (OSTI)

    Vidyasagar, R.; Lin, Y.-T.; Tu, L.-W.

    2012-12-15

    Graphical abstract: We report here that micro-Raman scattering spectrum for Mn doped GaN thin film has displayed a new peak manifested at 578 cm{sup −1}, by which it is attributed to interior LVM originated by the incorporation of Mn ions in place of Ga sites. Mn doped GaN thin film also showed the typical negative magnetoresistance up to ∼50 K, revealing that the film showed magnetic ordering of spins below 50 K. Display Omitted Highlights: ► GaN and Mn doped GaN single phase wurtzite structures grown by PAMBE. ► The phase purity of the epilayers investigated by HRXRD, HRSEM and EDX. ► The red shift in near band edge emission has been observed using micro-PL. ► A new peak related LVM at 578 cm{sup −1} in micro-Raman scattering measurements confirmed Mn doped into GaN. ► Negative-magnetoresistance investigations have showed that the film has T{sub c} < 50 K. -- Abstract: Spectroscopic and magnetic properties of Mn doped GaN, and GaN epitaxial films have been investigated by employing micro-photoluminescence, micro-Raman, and temperature dependent magneto-resistance measurements. The HR-XRD profiles have shown that the epitaxial films are in hexagonal wurtzite structures. Morphology and composition of the films have been examined by field emission scanning electron microscopy, and energy-dispersive X-ray analysis. Micro-photoluminescence spectrum displayed a dominant near band edge emission at 362 nm, which is assigned to near band edge transition within the hexagonal structure of GaN. Raman scattering profiles showed a new vibrational mode at 578 cm{sup −1}, which is attributed to the vacancy-related local vibrational mode of Mn occupying the Ga site. Temperature dependent negative magnetoresistance measurements provide a direct evidence of magnetic ordering below 50 K for the Mn doped GaN thin film.

  12. Suppression of the thermal hysteresis in magnetocaloric MnAs thin film by highly charged ion bombardment

    SciTech Connect (OSTI)

    Trassinelli, M. Marangolo, M.; Eddrief, M.; Etgens, V. H.; Gafton, V.; Hidki, S.; Lacaze, E.; Lamour, E.; Prigent, C.; Rozet, J.-P.; Steydli, S.; Zheng, Y.; Vernhet, D.

    2014-02-24

    We present the investigation on the modifications of structural and magnetic properties of MnAs thin film epitaxially grown on GaAs induced by slow highly charged ions bombardment under well-controlled conditions. The ion-induced defects facilitate the nucleation of one phase with respect to the other in the first-order magneto-structural MnAs transition, with a consequent suppression of thermal hysteresis without any significant perturbation on the other structural and magnetic properties. In particular, the irradiated film keeps the giant magnetocaloric effect at room temperature opening new perspective on magnetic refrigeration technology for everyday use.

  13. Thermochemical generation of hydrogen and oxygen from water. [NaMnO/sub 2/ and TiO/sub 2/

    DOE Patents [OSTI]

    Robinson, P.R.; Bamberger, C.E.

    1980-02-08

    A thermochemical cyclic process for the production of hydrogen exploits the reaction between sodium manganate (NaMnO/sub 2/) and titanium dioxide (TiO/sub 2/) to form sodium titanate (Na/sub 2/TiO/sub 3/), manganese (II) titanate (MnTiO/sub 3/) and oxygen. The titanate mixture is treated with sodium hydroxide, in the presence of steam, to form sodium titanate, sodium manganate (III), water and hydrogen. The sodium titanate-manganate (III) mixture is treated with water to form sodium manganate (III), titanium dioxide and sodium hydroxide. Sodium manganate (III) and titanium dioxide are recycled following dissolution of sodium hydroxide in water.

  14. Electronic and magnetic properties of double perovskite Dy{sub 2}MnCoO{sub 6} by first-principles calculation

    SciTech Connect (OSTI)

    Ganeshraj, C.; Santhosh, P. N.

    2014-05-07

    Using first-principles calculation, we investigate electronic and magnetic properties of Dy{sub 2}MnCoO{sub 6}. A detailed structural optimization has been done and found that the orthorhombic structure with Mn (Co) ions aligning along the longest axis type is the most stable structure. Within the generalized gradient approximation, the spin polarized calculations predict Dy{sub 2}MnCoO{sub 6} to be a half-metallic with ferromagnetic interaction between Mn and Co ions and antiferromagnetic interaction between Dy and Mn/Co ions. We also investigate the effect of Hubbard parameter (U) on the ground state magnetic structure. For all values of Hubbard U parameter the Co ions have nonzero magnetic moment; they do not lie in low-spin state, as in DyCoO{sub 3}.

  15. CdSe/ZnSe quantum dot with a single Mn{sup 2+} ionA new system for a single spin manipulation

    SciTech Connect (OSTI)

    Smole?ski, T.

    2015-03-21

    We present a magneto-optical study of individual self-assembled CdSe/ZnSe quantum dots doped with single Mn{sup 2+} ions. Properties of the studied dots are analyzed analogously to more explored system of Mn-doped CdTe/ZnTe dots. Characteristic sixfold splitting of the neutral exciton emission line as well as its evolution in the magnetic field are described using a spin Hamiltonian model. Dynamics of both exciton recombination and Mn{sup 2+} spin relaxation are extracted from a series of time-resolved experiments. Presence of a single dopant is shown not to affect the average excitonic lifetime measured for a number of nonmagnetic and Mn-doped dots. On the other hand, non-resonant pumping is demonstrated to depolarize the Mn{sup 2+} spin in a quantum dot placed in external magnetic field. This effect is utilized to determine the ion spin relaxation time in the dark.

  16. Electrochemically induced deposition method to prepare {gamma}-MnO{sub 2}/multi-walled carbon nanotube composites as electrode material in supercapacitors

    SciTech Connect (OSTI)

    Fan Zhen

    2008-08-04

    The {gamma}-MnO{sub 2}/multi-walled carbon nanotube ({gamma}-MnO{sub 2}/MWNT) composite has been prepared by electrochemically induced deposition method. The morphology and crystal structure of the composite were investigated by X-ray diffraction and scanning electron microscopy, respectively. The capacitive properties of the {gamma}-MnO{sub 2}/MWNT composite have been investigated by cyclic voltammetry (CV). A specific capacitance (based on {gamma}-MnO{sub 2}) as high as 579 F g{sup -1} is obtained at a scan rate of 10 mV s{sup -1} in 0.1 M Na{sub 2}SO{sub 4} aqueous solution. Additionally, the {gamma}-MnO{sub 2}/MWNT composite electrode shows excellent long-term cycle stability (only 2.4% decrease of the specific capacitance is observed after 500 CV cycles)

  17. Induced Ti magnetization at La0.7Sr0.3MnO3 and BaTiO3 interfaces

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Liu, Yaohua; Tornos, J.; te Velthuis, S. G. E.; Freeland, J. W.; Zhou, H.; Steadman, P.; Bencok, P.; Leon, C.; Santamaria, J.

    2016-04-01

    In artificial multiferroics hybrids consisting of ferromagnetic La0.7Sr0.3MnO3 (LSMO) and ferroelectric BaTiO3 epitaxial layers, net Ti moments are found from polarized resonant soft x-ray reflectivity and absorption. Moreover, the Ti dichroic reflectivity follows the Mn signal during the magnetization reversal, indicating exchange coupling between the Ti and Mn ions. But, the Ti dichroic reflectivity shows stronger temperature dependence than the Mn dichroic signal. Besides a reduced ferromagnetic exchange coupling in the interfacial LSMO layer, this may also be attributed to a weak Ti-Mn exchange coupling that is insufficient to overcome the thermal energy at elevated temperatures.

  18. Radiation-induced instability of MnS precipitates and its possible consequences on irradiation-induced stress corrosion cracking of austenitic stainless steels

    SciTech Connect (OSTI)

    Chung, H.M.; Sanecki, J.E.; Garner, F.A.

    1996-12-01

    Irradiation-assisted stress corrosion cracking (IASCC) is a significant materials issue for the light water reactor (LWR) industry and may also pose a problem for fusion power reactors that will use water as coolant. A new metallurgical process is proposed that involves the radiation-induced release into solution of minor impurity elements not usually thought to participate in IASCC. MnS-type precipitates, which contain most of the sulfur in stainless steels, are thought to be unstable under irradiation. First, Mn transmutes strongly to Fe in thermalized neutron spectra. Second, cascade-induced disordering and the inverse Kirkendall effect operating at the incoherent interfaces of MnS precipitates are thought to act as a pump to export Mn from the precipitate into the alloy matrix. Both of these processes will most likely allow sulfur, which is known to exert a deleterious influence on intergranular cracking, to re-enter the matrix. To test this hypothesis, compositions of MnS-type precipitates contained in several unirradiated and irradiated heats of Type 304, 316, and 348 stainless steels (SSs) were analyzed by Auger electron spectroscopy. Evidence is presented that shows a progressive compositional modification of MnS precipitates as exposure to neutrons increases in boiling water reactors. As the fluence increases, the Mn level in MnS decreases, whereas the Fe level increases. The S level also decreases relative to the combined level of Mn and Fe. MnS precipitates were also found to be a reservoir of other deleterious impurities such as F and O which could be also released due to radiation-induced instability of the precipitates.

  19. WE-G-BRE-07: Proton Therapy Enhanced by Tumor-Targeting Gold Nanoparticles: A Pilot in Vivo Experiment at The Proton Therapy Center at MD Anderson Cancer Center

    SciTech Connect (OSTI)

    Wolfe, T; Grant, J; Wolfe, A; Gillin, M; Krishnan, S

    2014-06-15

    Purpose: Assess tumor-growth delay and survival in a mouse model of prostate cancer treated with tumor-targeting gold nanoparticles (AuNPs) and proton therapy. Methods: We first examined the accumulation of targeting nanoparticles within prostate tumors by imaging AuNPs with ultrasound-guided photoacoustics at 24h after the intravenous administration of goserelin-conjugated AuNPs (gAuNP) in three mice. Nanoparticles were also imaged at the cellular level with TEM in PC3 cells incubated with gAuNP for 24h. Pegylated AuNPs (pAuNP) were also imaged in vivo and in vitro for comparison. PC3 cells were then implanted subcutaneously in nude mice; 51mice with 810mm tumors were included. AuNPs were injected intravenously at 0.2%w/w final gold concentration 24h before irradiation. A special jig was designed to facilitate tumor irradiation perpendicular to the proton beam. Proton energy was set to 180MeV, the radiation field was 1818cm{sup 2}, and 9cm or 13.5cm thick solid-water compensators were used to position the tumors at either the beam entrance (BE) or the SOBP. Physical doses of 5Gy were delivered to all tumors on a patient beam line at MD Anderson's Proton Therapy Center. Results: The photoacoustic experiment reveled that our nanoparticles leak from the tumor-feeding vasculature and accumulate within the tumor volume over time. Additionally, TEM images showed gAuNP are internalized in cancer cells, accumulating within the cytoplasm, whereas pAuNP are not. Tumor-growth was delayed by 11 or 32days in mice receiving gAuNP irradiated at the BE or the SOBP, relative to proton radiation alone. Survival curves (ongoing experiment) reveal that gAuNPs improved survival by 36% or 74% for tumors irradiated at the BE or SOBP. Conclusion: These important, albeit preliminary, in vivo findings reveal nanoparticles to be potent sensitizers to proton therapy. Further, conjugation of AuNPs to tumor-specific antigens that promote enhanced cellular internalization improved both tumor-growth delay and survival of mice after proton therapy.

  20. Synthesis, crystal structure, and vibrational spectroscopic and UV-visible studies of Cs{sub 2}MnP{sub 2}O{sub 7}

    SciTech Connect (OSTI)

    Kaoua, Saida; Krimi, Saida; Pechev, Stanislav; Gravereau, Pierre; Chaminade, Jean-Pierre; Couzi, Michel; El Jazouli, Abdelaziz

    2013-02-15

    A new member of the A{sub 2}MP{sub 2}O{sub 7} diphosphate family, Cs{sub 2}MnP{sub 2}O{sub 7}, has been synthesized and structurally characterized. The crystal structure was determined by single crystal X-Ray diffraction. Cs{sub 2}MnP{sub 2}O{sub 7} crystallizes in the orthorhombic system, space group Pnma ( Music-Sharp-Sign 62), with the unit cell parameters a=16.3398(3), b=5.3872(1), c=9.8872(2) A, Z=4 and V=870.33(3) A{sup 3}. The structure parameters were refined to a final R{sub 1}/wR{sub 2}=0.0194/0.0441 for 1650 observed reflections. The 2D framework of Cs{sub 2}MnP{sub 2}O{sub 7} structure consists of P{sub 2}O{sub 7} and MnO{sub 5} units. The corner-shared MnO{sub 5} and P{sub 2}O{sub 7} units are alternately arranged along the b axis to form [(MnO)P{sub 2}O{sub 7}]{sub {infinity}} chains. These chains are interconnected by an oxygen atom to form sheets parallel to the (b, c) plane. The cesium atoms are located between the sheets in 9- and 10-fold coordinated sites. The infrared and Raman vibrational spectra have been investigated. A factor group analysis leads to the determination of internal modes of (P{sub 2}O{sub 7}) groups. UV-visible spectrum consists of weak bands, between 340 and 700 nm, assigned to the forbidden d-d transitions of Mn{sup 2+} ion, and of a strong band around 250 nm, attributed to the O--Mn charge transfer. - Graphical abstract: Structure of Cs{sub 2}MnP{sub 2}O{sub 7}: The 2D structure of Cs{sub 2}MnP{sub 2}O{sub 7} is built from P{sub 2}O{sub 7} diphosphate groups and MnO{sub 5} square pyramids which share corners and form [(MnO)P{sub 2}O{sub 7}]{sub {infinity}} chains along b axis. These chains are interconnected by an oxygen atom to form wavy (MnP{sub 2}O{sub 7}){sup 2-} sheets parallel to the (b, c) plane. The cesium ions are located between these sheets in the inter-layers space, in zigzag positions. Highlights: Black-Right-Pointing-Pointer A new diphosphate, Cs{sub 2}MnP{sub 2}O{sub 7}, has been synthesized and structurally characterized. Black-Right-Pointing-Pointer The structure consists of a 2D framework built up from (MnP{sub 2}O{sub 7}) sheets. Black-Right-Pointing-Pointer The sheets consist of [(MnO)P{sub 2}O{sub 7}]{sub {infinity}} chains formed by P{sub 2}O{sub 7} units and MnO{sub 5} square pyramids. Black-Right-Pointing-Pointer A factor group analysis leads to the determination of internal modes of (P{sub 2}O{sub 7}) groups. Black-Right-Pointing-Pointer UV-visible spectrum consists bands assigned to d-d transitions of Mn{sup 2+} ion and to O--Mn CT.

  1. Magnetic BiMn-α phase synthesis prediction: First-principles calculation, thermodynamic modeling and nonequilibrium chemical partitioning

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhou, S. H.; Liu, C.; Yao, Y. X.; Du, Y.; Zhang, L. J.; Wang, C. -Z.; Ho, K. -M.; Kramer, M. J.

    2016-04-29

    BiMn-α is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single BiMn-α phase. The objective of this study is to assess driving force for crystalline phase pathways under far-from-equilibrium conditions. First-principles calculations with Hubbard U correction are performed to provide a robust description of the thermodynamic behavior. The energetics associated with various degrees of the chemical partitioning are quantified to predict temperature, magnetic field, and time dependence of the phase selection. By assessing the phase transformation under the influence of the chemical partitioning, temperatures, and cooling rate from our calculations, we suggestmore » that it is possible to synthesize the magnetic BiMn-α compound in a congruent manner by rapid solidification. The external magnetic field enhances the stability of the BiMn-α phase. In conclusion, the compositions of the initial compounds from these highly driven liquids can be far from equilibrium.« less

  2. Excess Ni-doping induced enhanced room temperature magneto-functionality in Ni-Mn-Sn based shape memory alloy

    SciTech Connect (OSTI)

    Pramanick, S.; Giri, S.; Majumdar, S.; Chatterjee, S.

    2014-09-15

    Present work reports on the observation of large magnetoresistance (??30% at 80 kOe) and magnetocaloric effect (?12?Jkg{sup ?1}K{sup ?1} for 050 kOe) near room temperature (?290?K) on the Ni-excess ferromagnetic shape memory alloy Ni{sub 2.04}Mn{sub 1.4}Sn{sub 0.56}. The sample can be thought of being derived from the parent Ni{sub 2}Mn{sub 1.4}Sn{sub 0.6} alloy, where excess Ni was doped at the expense of Sn. Such Ni doping enhances the martensitic transition temperature and for the Ni{sub 2.04}Mn{sub 1.4}Sn{sub 0.56} it is found to be optimum (288?K). The doped alloy shows enhanced magneto-functional properties as well as reduced saturation magnetization as compared to the undoped counterpart at low temperature. A probable increment of antiferromagnetic correlation between Mn-atoms on Ni substitution can be accounted for the enhanced magneto-functional properties as well as reduction in saturation moment.

  3. Unusual magnetic hysteresis and the weakened transition behavior induced by Sn substitution in Mn{sub 3}SbN

    SciTech Connect (OSTI)

    Sun, Ying, E-mail: sunying@buaa.edu.cn [Center for Condensed Matter and Materials Physics, Department of Physics, Beihang University, Beijing 100191 (China); International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, Tsukuba, Ibaraki 305-0044 (Japan); Guo, Yanfeng; Li, Jun; Wang, Xia [Superconducting Properties Unit, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044 (Japan); Tsujimoto, Yoshihiro [Materials Processing Unit, National Institute for Materials Science, Tsukuba, Ibaraki 305-0047 (Japan); Wang, Cong [Center for Condensed Matter and Materials Physics, Department of Physics, Beihang University, Beijing 100191 (China); Feng, Hai L.; Sathish, Clastin I.; Yamaura, Kazunari, E-mail: yamaura.kazunari@nims.go.jp [Superconducting Properties Unit, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044 (Japan); Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo, Hokkaido 060-0810 (Japan); Matsushita, Yoshitaka [Analysis Station, National Institute for Materials Science, Tsukuba, Ibaraki 305-0047 (Japan)

    2014-01-28

    Substitution of Sb with Sn was achieved in ferrimagnetic antiperovskite Mn{sub 3}SbN. The experimental results indicate that with an increase in Sn concentration, the magnetization continuously decreases and the crystal structure of Mn{sub 3}Sb{sub 1-x}Sn{sub x}N changes from tetragonal to cubic phase at around x of 0.8. In the doping series, step-like anomaly in the isothermal magnetization was found and this behavior was highlighted at x?=?0.4. The anomaly could be attributed to the magnetic frustration, resulting from competition between the multiple spin configurations in the antiperovskite lattice. Meantime, H{sub c} of 18 kOe was observed at x?=?0.3, which is probably the highest among those of manganese antiperovskite materials reported so far. With increasing Sn content, the abrupt change of resistivity and the sharp peak of heat capacity in Mn{sub 3}SbN were gradually weakened. The crystal structure refinements indicate the weakened change at the magnetic transition is close related to the change of c/a ratio variation from tetragonal to cubic with Sn content. The results derived from this study indicate that the behavior of Mn{sub 3}Sb{sub 1-x}Sn{sub x}N could potentially enhance its scientific and technical applications, such as spin torque transfer and hard magnets.

  4. Controlled fabrication and tunable photoluminescence properties of Mn{sup 2+} doped grapheneZnO composite

    SciTech Connect (OSTI)

    Luan, Xinglong; Zhang, Yihe Tong, Wangshu; Shang, Jiwu; An, Qi; Huang, Hongwei

    2014-11-15

    Highlights: GrapheneZnO composites were synthesized by a mixed solvothermal method. ZnO quantum dots are distributed uniformly on the graphene sheets. A possible hypothesis is raised for the influence of graphene oxide on the nucleation of ZnO. Mn{sup 2+} doped grapheneZnO composites were fabricated and the emission spectra can be tuned by doping. - Abstract: GrapheneZnO composites (GZnO) with controlled morphology and photoluminescence property were synthesized by a mixed solvothermal method. Mixed solvent were composed by dimethyl sulfoxide and ethylene glycol. Fourier transform infrared spectroscopy, transmission electron microscopy and photoluminescence spectra were used to characterize GZnO. Graphene as a substrate can help the distribution and the dispersity of ZnO, and a possible model of the interaction between graphene oxide and ZnO particles is proposed. At the same time, graphene also reduce the size of ZnO particles to about 5 nm. Furthermore, Mn{sup 2+} ions dopes GZnO successfully by the mixed solvothermal synthesis and the doping of Mn{sup 2+} makes GZnO shift red from 465 nm to 548 nm and 554 nm in the emission spectrum. The changes of the emission spectrum by the adding of Mn{sup 2+} make GZnO have tunable photoluminescence spectrum which is desirable for practical applications.

  5. Magnetic properties of MnSb inclusions formed in GaSb matrix directly during molecular beam epitaxial growth

    SciTech Connect (OSTI)

    Lawniczak-Jablonska, Krystyna; Wolska, Anna; Klepka, Marcin T.; Kret, Slawomir; Kurowska, Boguslawa; Kowalski, Bogdan J.; Twardowski, Andrzej; Wasik, Dariusz; Kwiatkowski, Adam; Sadowski, Janusz

    2011-04-01

    Despite of intensive search for the proper semiconductor base materials for spintronic devices working at room temperature no appropriate material based on ferromagnetic semiconductors has been found so far. We demonstrate that the phase segregated system with MnSb hexagonal inclusions inside the GaSb matrix, formed directly during the molecular beam epitaxial growth reveals the ferromagnetic properties at room temperature and is a good candidate for exploitation in spintronics. Furthermore, the MnSb inclusions with only one crystalline structure were identified in this GaMn:MnSb granular material. The SQUID magnetometry confirmed that this material exhibits ferromagnetic like behavior starting from helium up to room temperature. Moreover, the magnetic anisotropy was found which was present also at room temperature, and it was proved that by choosing a proper substrate it is possible to control the direction of easy axis of inclusions' magnetization moment between in-plane and out-of-plane; the latter is important in view of potential applications in spintronic devices.

  6. A comparison of the y-Radiolysis of TODGA and T(EH)DGA using UHPLC-ESI-MS analysis

    SciTech Connect (OSTI)

    Zarzana, Christopher A.; Groenewold, Gary S.; Mincher, Bruce J.; Mezyk, Stephen P.; Wilden, Andreas; Schmidt, Holger; Modolo, Giuseppe; Wishart, James F.; Cook, Andrew R.

    2015-04-27

    Solutions of the diglycolamide extractants TODGA and T(EH)DGA in n-dodecane were subjected to γ- irradiation in the presence and absence of an acidic aqueous phase. These solutions were then analyzed using UHPLC-ESI-MS to determine the rates of radiolytic decay of the two extractants neat and in contact with respect to the acidity of the contacted aqueous phase, as well as to identify radiolysis products. The presence or absence of an acidic aqueous phase was shown to have no influence on the measured decay rates, nor did the side-chain have an influence. A number of radiolysis products were identified, consistent with those previously identified for these two compounds using GC-MS. The identity of these radiolysis products suggests that the bonds most vulnerable to radiolytic attack are those in the dyglycolamide center of these molecules, and not on the side-chains.  The agreement of these results with previous work using GC-MS indicates supports the further use of UHPLC-ESI-MS as a tool for studying diglycolamide extractant systems.

  7. A comparison of the y-Radiolysis of TODGA and T(EH)DGA using UHPLC-ESI-MS analysis

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zarzana, Christopher A.; Groenewold, Gary S.; Mincher, Bruce J.; Mezyk, Stephen P.; Wilden, Andreas; Schmidt, Holger; Modolo, Giuseppe; Wishart, James F.; Cook, Andrew R.

    2015-04-27

    Solutions of the diglycolamide extractants TODGA and T(EH)DGA in n-dodecane were subjected to γ- irradiation in the presence and absence of an acidic aqueous phase. These solutions were then analyzed using UHPLC-ESI-MS to determine the rates of radiolytic decay of the two extractants neat and in contact with respect to the acidity of the contacted aqueous phase, as well as to identify radiolysis products. The presence or absence of an acidic aqueous phase was shown to have no influence on the measured decay rates, nor did the side-chain have an influence. A number of radiolysis products were identified, consistent with thosemore » previously identified for these two compounds using GC-MS. The identity of these radiolysis products suggests that the bonds most vulnerable to radiolytic attack are those in the dyglycolamide center of these molecules, and not on the side-chains.  The agreement of these results with previous work using GC-MS indicates supports the further use of UHPLC-ESI-MS as a tool for studying diglycolamide extractant systems.« less

  8. A comparison of the y-Radiolysis of TODGA and T(EH)DGA using UHPLC-ESI-MS analysis

    SciTech Connect (OSTI)

    Zarzana, Christopher A.; Groenewold, Gary S.; Mincher, Bruce J.; Mezyk, Stephen P.; Wilden, Andreas; Schmidt, Holger; Modolo, Giuseppe; Wishart, James F.; Cook, Andrew R.

    2015-04-27

    Solutions of the diglycolamide extractants TODGA and T(EH)DGA in n-dodecane were subjected to?- irradiation in the presence and absence of an acidic aqueous phase. These solutions were then analyzed using UHPLC-ESI-MS to determine the rates of radiolytic decay of the two extractants neat and in contact with respect to the acidity of the contacted aqueous phase, as well as to identify radiolysis products. The presence or absence of an acidic aqueous phase was shown to have no influence on the measured decay rates, nor did the side-chain have an influence. A number of radiolysis products were identified, consistent with those previously identified for these two compounds using GC-MS. The identity of these radiolysis products suggests that the bonds most vulnerable to radiolytic attack are those in the dyglycolamide center of these molecules, and not on the side-chains.The agreement of these results with previous work using GC-MS indicates supports the further use of UHPLC-ESI-MS as a tool for studying diglycolamide extractant systems.

  9. Warroad, MN Natural Gas Pipeline Imports From Canada (Dollars per Thousand

    U.S. Energy Information Administration (EIA) Indexed Site

    Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's 2.14 2.22 1.71 2.06 2000's 3.95 4.52 3.16 5.63 6.15 8.28 7.94 6.75 8.50 4.24 2010's 4.69 4.17 3.06 3.94 5.95 3.32 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016 Referring Pages: U.S. Price of Natural Gas Pipeline Imports by Point of Entry Warroad, MN Natural Gas Exports

  10. Warroad, MN Natural Gas Pipeline Imports From Canada (Million Cubic Feet)

    U.S. Energy Information Administration (EIA) Indexed Site

    Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's 685 512 473 412 2000's 4,576 5,318 5,374 4,925 4,793 4,982 3,563 4,813 4,800 4,380 2010's 4,325 4,551 4,610 4,835 3,997 3,968 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016 Referring Pages: U.S. Natural Gas Pipeline Imports by Point of Entry Warroad, MN Natural Gas Exports to

  11. The manifestation of spin-phonon coupling in CaMnO{sub 3}

    SciTech Connect (OSTI)

    Goian, V. Kamba, S.; Borodavka, F.; Nuzhnyy, D.; Savinov, M.; Belik, A. A.

    2015-04-28

    Recently predicted presence of spin-phonon coupling in the CaMnO{sub 3} is experimentally confirmed in infrared (IR), Raman and time-domain THz spectra. Most of phonon frequencies seen below 350?cm{sup ?1} exhibit significant shifts on cooling below antiferromagnetic phase transition at T{sub N}???120?K. Moreover, several new modes activate in the IR and Raman spectra on cooling below T{sub N}. Sum of phonon contributions to static permittivity exhibits small but reliable anomaly at T{sub N}. On the other hand, the spin-phonon coupling is not manifested in temperature dependence of radio-frequency permittivity, because intrinsic permittivity is screened by extrinsic contribution from conductivity, which enhances the permittivity to giant values.

  12. High Curie temperature of Ce-Fe-Si compounds with ThMn12 structure

    SciTech Connect (OSTI)

    Zhou, C; Pinkerton, FE; Herbst, JF

    2015-01-15

    We report the discovery of ternary CeFe(12-x)Si(x)compounds possessing the ThMn12 structure. The samples were prepared by melt spinning followed by annealing. In contrast to other known Ce Fe-based binary and ternary compounds, CeFe12-xSix compounds exhibit exceptionally high Curie temperatures whose values increase with added Si substitution. The highest T. = 583 K in CeFe10Si2 rivals that of the well-established Nd2Fe14B compound. We ascribe the T-c behavior to a combination of Si-induced 3d band structure changes and partial Ce3+ stabilization. (C) 2014 Published by Elsevier Ltd.

  13. Magnetic structure and spin excitations in BaMn2Bi2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Calder, Stuart A.; Saparov, Bayrammurad I; Cao, H. B.; Niedziela, Jennifer L.; Lumsden, Mark D.; Sefat, Athena Safa; Christianson, Andrew D.

    2014-02-19

    We present a single crystal neutron scattering study of BaMn2Bi2, a recently synthesized material with the same ThCr2Si2type structure found in several Fe-based unconventional superconducting materials. We show long range magnetic order, in the form of a G-type antiferromagnetic structure, to exist up to 390 K with an indication of a structural transition at 100 K. Utilizing inelastic neutron scattering we observe a spin-gap of 16 meV, with spin-waves extending up to 55 meV. We find these magnetic excitations are well fit to a J1-J2-Jc Heisenberg model and present values for the exchange interactions. The spin wave spectrum appears tomore » be unchanged by the 100 K structural phase transition.« less

  14. NaNi sub 3 Mn sub 2 alloy as a tritium storage material

    SciTech Connect (OSTI)

    Ide, T.; Okuno, K.; Konishi, S.; Sakai, F.; Fukui, H.; Enoeda, M.; Naruse, Y.; Anderson, J.L.; Bartlit, J.R.; Los Alamos National Lab., NM )

    1989-01-01

    An all metal apparatus has been constructed and installed in the main cell of the Tritium System Assembly (TSTA) at Los Alamos National Laboratory, as a separate experiment, to handle about 2600 Ci of tritium for study of metal tritides of potential application for storing tritium in fusion fuel processing. The apparatus is similar to that used for protium/deuterium gas but some modifications were made to assure safe handling of tritium. The pressure-composition isotherms for the LaNi{sub 3}Mn{sub 2}-protium (H), deuterium (D) and tritium (T) system were measured to study isotopic effects in the temperature range of 60 {degree}C to 250 {degree}C, the pressure range below 120 kPa. 2 refs., 10 figs.

  15. Noyes, MN Natural Gas Pipeline Imports From Canada (Dollars per Thousand

    U.S. Energy Information Administration (EIA) Indexed Site

    Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's 2.40 2.46 2.07 2.29 2000's 3.75 4.19 3.09 5.04 5.77 8.01 6.82 6.72 8.48 4.21 2010's 4.49 4.15 2.86 3.87 5.59 2.88 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 4/29/2016 Next Release Date: 5/31/2016 Referring Pages: U.S. Price of Natural Gas Pipeline Imports by Point of Entry Noyes, MN Natural Gas Exports

  16. Strain-induced dimensionality crossover of precursor modulations in Ni{sub 2}MnGa

    SciTech Connect (OSTI)

    Nie, Zhihua E-mail: ydwang@neu.edu.cn; Wang, Yandong E-mail: ydwang@neu.edu.cn; Shang, Shunli; Wang, Yi; Liu, Zi-Kui; Zeng, Qiaoshi; Ren, Yang; Liu, Dongmei; Yang, Wenge

    2015-01-12

    Precursor modulations often occur in functional materials like magnetic shape memory alloys, ferroelectrics, and superconductors. In this letter, we have revealed the underlying mechanism of the precursor modulations in ferromagnetic shape memory alloys Ni{sub 2}MnGa by combining synchrotron-based x-ray diffraction experiments and first-principles phonon calculations. We discovered the precursor modulations along [011] direction can be eliminated with [001] uniaxial loading, while the precursor modulations or premartensite can be totally suppressed by hydrostatic pressure condition. The TA{sub 2} phonon anomaly is sensitive to stress induced lattice strain, and the entire TA{sub 2} branch is stabilized along the directions where precursor modulations are eliminated by external stress. Our discovery bridges precursor modulations and phonon anomalies, and sheds light on the microscopic mechanism of the two-step superelasticity in precursor martensite.

  17. Magnetic-field-induced transformation in FeMnGa alloys

    SciTech Connect (OSTI)

    Zhu, W.; Liu, E. K.; Feng, L.; Tang, X. D.; Chen, J. L.; Wu, G. H.; Liu, H. Y.; Meng, F. B.; Luo, H. Z.

    2009-11-30

    A kind of ferromagnetic shape memory alloy with off-stoichiometric composition of Heusler alloy Fe{sub 2}MnGa has been synthesized. By optimizing composition, the martensitic transformation has been modified to occur at about 163 K accompanying spontaneous magnetization, which enables a magnetic field-induced structural transition from a paramagnetic parent phase to a ferromagnetic martensite with high magnetization of 93.8 emu/g. The material performs a quite large lattice distortion through the transformation, (c-a)/c=33.5%, causing a shape memory strain upto 3.6%. Such large lattice distortions strongly influence the electron structures, and thus some special physical behavior related to the transport and conductive properties is investigated.

  18. The magnetic ordering in high magnetoresistance Mn-doped ZnO thin films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Venkatesh, S.; Baras, A.; Lee, J. -S.; Roqan, I. S.

    2016-03-24

    Here, we studied the nature of magnetic ordering in Mn-doped ZnO thin films that exhibited ferromagnetism at 300 K and superparamagnetism at 5 K. We directly inter-related the magnetisation and magnetoresistance by invoking the polaronpercolation theory and variable range of hopping conduction below the metal-to-insulator transition. By obtaining a qualitative agreement between these two models, we attribute the ferromagnetism to the s-d exchange-induced spin splitting that was indicated by large positive magnetoresistance (~40 %). Low temperature superparamagnetism was attributed to the localization of carriers and non-interacting polaron clusters. This analysis can assist in understanding the presence or absence of ferromagnetismmore » in doped/un-doped ZnO.« less

  19. High spin polarization in CoFeMnGe equiatomic quaternary Heusler alloy

    SciTech Connect (OSTI)

    Bainsla, Lakhan; Suresh, K. G.; Nigam, A. K.; Manivel Raja, M.; Varaprasad, B. S. D. Ch. S.; Takahashi, Y. K.; Hono, K.

    2014-11-28

    We report the structure, magnetic property, and spin polarization of CoFeMnGe equiatomic quaternary Heusler alloy. The alloy was found to crystallize in the cubic Heusler structure (prototype LiMgPdSn) with considerable amount of DO{sub 3} disorder. Thermal analysis result indicated the Curie temperature is about 750 K without any other phase transformation up to melting temperature. The magnetization value was close to that predicted by the Slater-Pauling curve. Current spin polarization of P = 0.70 ± 0.01 was deduced using point contact andreev reflection measurements. The temperature dependence of electrical resistivity has been fitted in the temperature range of 5–300 K in order to check for the half metallic behavior. Considering the high spin polarization and Curie temperature, this material appears to be promising for spintronic applications.

  20. Structural controlled magnetic anisotropy in Heusler L1{sub 0}-MnGa epitaxial thin films

    SciTech Connect (OSTI)

    Wang Kangkang; Lu Erdong; Smith, Arthur R.; Knepper, Jacob W.; Yang Fengyuan

    2011-04-18

    Ferromagnetic L1{sub 0}-MnGa thin films have been epitaxially grown on GaN, sapphire, and MgO substrates using molecular beam epitaxy. Using diffraction techniques, the epitaxial relationships are determined. It is found that the crystalline orientation of the films differ due to the influence of the substrate. By comparing the magnetic anisotropy to the structural properties, a clear correlation could be established indicating that the in-plane and out-of-plane anisotropy is directly determined by the crystal orientation of the film and could be controlled via selection of the substrates. This result could be helpful in tailoring magnetic anisotropy in thin films for spintronic applications.

  1. Electric field-induced magnetic switching in Mn:ZnO film

    SciTech Connect (OSTI)

    Ren, S. X.; Sun, G. W.; Zhao, J.; Dong, J. Y.; Zhao, X.; Chen, W.; Wei, Y.; Ma, Z. C.

    2014-06-09

    A large magnetic modulation, accompanied by stable bipolar resistive switching (RS) behavior, was observed in a Mn:ZnO film by applying a reversible electric field. A significant enhancement of the ferromagnetism of the film, to about five times larger than that in the initial (as-grown) state (IS), was obtained by switching the film into the low resistance state. X-ray photoelectron spectroscopy demonstrated the existence of abundant oxygen vacancies in the IS of the film. We suggest that this electric field-induced magnetic switching effect originates with the migration and redistribution of oxygen vacancies during RS. Our work indicates that electric switching is an effective and simple method to increase the ferromagnetism of diluted magnetic oxide films. This provides a promising direction for research in spintronic devices.

  2. Evidence of martensitic phase transitions in magnetic Ni-Mn-In thin films

    SciTech Connect (OSTI)

    Sokolov, A.; Zhang, Le; Dubenko, I.; Samanta, T.; Ali, N.; Stadler, S.

    2013-02-18

    Ni{sub 50}Mn{sub 35}In{sub 15} Heusler alloy thin films (with thicknesses of about 10 nm) have been grown on single crystal MgO and SrTiO{sub 3} (STO) (100) substrates using a laser-assisted molecular beam epitaxy method. Films of mixed austenitic and martensitic phases and of pure martensitic phase have been detected for those grown on MgO and STO substrates, respectively. Thermomagnetic curves were measured using a SQUID magnetometer and are consistent with those of off-stoichiometric In-based bulk Heusler alloys, including a martensitic transition at T = 315 K for films grown on MgO. The differences in the properties of the films grown on MgO and STO are discussed.

  3. Highly mobile type II twin boundary in Ni-Mn-Ga five-layered martensite

    SciTech Connect (OSTI)

    Sozinov, A.; Lanska, N.; Soroka, A.; Straka, L.

    2011-09-19

    Twin relationships and stress-induced reorientation were studied in Ni{sub 2}Mn{sub 1.14}Ga{sub 0.86} single crystal with five-layered modulated martensite crystal structure. Very low twinning stress of about 0.1 MPa was found for twin boundaries which deviated a few degrees from the (011) crystallographic plane. However, twin boundaries oriented exactly parallel to the (011) plane exhibited considerably higher level of twinning stress, above 1 MPa. X-ray diffraction experiments and calculations based on approximation of the martensite crystal lattice as a tetragonal lattice with a slight monoclinic distortion identified the two different kinds of twin interfaces as type II and type I twin boundaries.

  4. High temperature dielectric relaxation anomaly of Y? and Mn? doped barium strontium titanate ceramics

    SciTech Connect (OSTI)

    Yan, Shiguang; Mao, Chaoliang E-mail: xldong@mail.sic.ac.cn; Wang, Genshui; Yao, Chunhua; Cao, Fei; Dong, Xianlin E-mail: xldong@mail.sic.ac.cn

    2014-10-14

    Relaxation like dielectric anomaly is observed in Y? and Mn? doped barium strontium titanate ceramics when the temperature is over 450 K. Apart from the conventional dielectric relaxation analysis method with Debye or modified Debye equations, which is hard to give exact temperature dependence of the relaxation process, dielectric response in the form of complex impedance, assisted with Cole-Cole impedance model corrected equivalent circuits, is adopted to solve this problem and chase the polarization mechanism in this paper. Through this method, an excellent description to temperature dependence of the dielectric relaxation anomaly and its dominated factors are achieved. Further analysis reveals that the exponential decay of the Cole distribution parameter n with temperature is confirmed to be induced by the microscopic lattice distortion due to ions doping and the interaction between the defects. At last, a clear sight to polarization mechanism containing both the intrinsic dipolar polarization and extrinsic distributed oxygen vacancies hopping response under different temperature is obtained.

  5. Characterization of Fatty Acids in Crenarchaeota by GC-MS and NMR

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hamerly, Timothy; Tripet, Brian; Wurch, Louie; Hettich, Robert L.; Podar, Mircea; Bothner, Brian; Copié, Valérie

    2015-01-01

    Lipids composed of condensed isoprenyl units connected to glycerol backbones by ether linkages are a distinguishing feature of Archaea. Data suggesting that fatty acids with linear hydrocarbon chains are present in some Archaea have been available for decades. However, lack of genomic and biochemical evidence for the metabolic machinery required to synthesize and degrade fatty acids has left the field unclear on this potentially significant biochemical aspect. Because lipids are energy currency and cell signaling molecules, their presence in Archaea is significant for understanding archaeal biology. A recent large-scale bioinformatics analysis reignited the debate as to the importance ofmore » fatty acids in Archaea by presenting genetic evidence for the presence of enzymes required for anabolic and catabolic fatty acid metabolism across the archaeal domain. Here, we present direct biochemical evidence from gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR) spectroscopy for the presence of fatty acids in two members of the Crenarchaeota, Sulfolobus solfataricus and Ignicoccus hospitalis . This is the first report providing biochemical data for the existence of fatty acids in these Crenarchaeota, opening new discussions on energy balance and the potential for the discovery of new thermostable enzymes for industry.« less

  6. Unraveling the voltage fade mechanism in layer Li-Mn-rich electrode: formation of the tetrahedral cations for spinel conversion

    SciTech Connect (OSTI)

    Mohanty, Debasish; Li, Jianlin; Abraham, Daniel P; Huq, Ashfia; Payzant, E Andrew; Wood III, David L; Daniel, Claus

    2014-01-01

    Discovery of high-voltage layered lithium-and manganese-rich (LMR) composite oxide electrode has dramatically enhanced the energy density of current Li-ion energy storage systems. However, practical usage of these materials is currently not viable because of their inability to maintain a consistent voltage profile (voltage fading) during subsequent charge-discharge cycles. This report rationalizes the cause of this voltage fade by providing the evidence of layer to spinel-like (LSL) structural evolution pathways in the host Li1.2Mn0.55Ni0.15Co0.1O2 LMR composite oxide. By employing neutron powder diffraction, and temperature dependent magnetic susceptibility, we show that LSL structural rearrangement in LMR oxide occurs through a tetrahedral cation intermediate via: i) diffusion of lithium atoms from octahedral to tetrahedral sites of the lithium layer [(LiLioct LiLitet] which is followed by the dispersal of the lithium ions from the adjacent octahedral site of the metal layer to the tetrahedral sites of lithium layer [LiTM oct LiLitet]; and ii) migration of Mn from the octahedral sites of the transition metal layer to the permanent octahedral site of lithium layer via tetrahedral site of lithium layer [MnTMoct MnLitet MnLioct)]. The findings opens the door to the potential routes to mitigate this atomic restructuring in the high-voltage LMR composite oxide cathodes by manipulating the composition/structure for practical use in high-energy-density lithium-ion batteries.

  7. Synthesis and characterization of R{sub 2}MnTiO{sub 7} (R = Y and Er) pyrochlores oxides

    SciTech Connect (OSTI)

    Martnez-Coronado, R.; Alonso, J.A.; Fernndez, M.T.

    2013-09-01

    Graphical abstract: - Abstract: New pyrochlore-like phases of composition R{sub 2}MnTiO{sub 7} (R = Er and Y) have been synthesized by a soft-chemistry procedure involving citrates of the different metal ions followed by thermal treatments at moderate temperatures (850 C for 12 h in air). A characterization by X-ray diffraction and neutron powder diffraction (NPD) has been carried out in order to determine the crystal structure features: these phyrochlores are cubic, space group Fd-3m, defining an intrinsically frustrated three-dimensional system. The Rietveld-refinement from NPD data at room temperature evidences an antisite cation disorder (distribution of Mn between A and B positions) that is accompanied by an increment of the oxygen-vacancy concentration due to the reduction of Mn{sup 4+} at the B position to Mn{sup 2+} at the A position. Thermogravimetric analysis (TGA) was useful to evaluate the stability of these oxides in reducing conditions up to 500 C. Magnetic susceptibility measurements indicate a ferromagnetic behavior, due to the random distribution of Mn{sup 4+} ions in the octahedral sublattice. At lower temperatures there is a polarization of the R{sup +3} magnetic moments, which also participate in the magnetic structure. Aiming to evaluate these materials as possible electrodes for solid oxide fuel cells (SOFC) we determined that the thermal expansion coefficients between 100 and 900 C perfectly match with those of the usual electrolytes; however, these pyrochlore oxides display a semiconductor-like behavior with poor conductivity values, e.g. 6 10{sup ?3} cm{sup ?1} at 850 C for Er, which would prevent its use as MIEC (mixed ionic-electronic conductors) oxides in SOFC devices.

  8. Buildings Energy Data Book: 3.9 Educational Facilities

    Buildings Energy Data Book [EERE]

    6 2010 Regional New Construction and Renovations Expenditures for Public K-12 Schools ($Million) Region New Schools Additions Renovation Total Region 1 (CT, MA, ME, NH, RI, VT) Region 2 (NJ, NY, PA) Region 3 (DE, MD, VA, WV) Region 4 (KY, NC, SC, TN) Region 5 (AL, FL, GA, MS) Region 6 (IN, MI, OH) Region 7 (IL, MN, WI) Region 8 (IA, KS, MO, NE) Region 9 (AR, LA, OK, TX) Region 10 (CO, MT, ND, NM, SD, UT, WY) Region 11 (AZ, CA, HI, NV) Region 12 (AK, ID, OR, WA) Total Source(s): School Planning

  9. Print

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    < 5k 0 < 50k < 100k < 250k < 500k < 1M > 1M > 5M > 10M DE MD DC MA RI NJ AZ UT WY ID OR WA CA TX OK KS CO NE SD ND MN WI IL IA MO AR LA MS AL FL GA TN KY IN OH MI ME NH CT VT NY PA WV VA NC SC MT AK HI NV NM Princeton Plasma Physics Laboratory Procured Materials and Services 2015 (> $35M) Small business procurements in US: $14.73M

  10. Annual Energy Outlook 2015 - Appendix B

    Gasoline and Diesel Fuel Update (EIA)

    5 U.S. Energy Information Administration | Annual Energy Outlook 2015 Regional maps Figure F4. Oil and gas supply model regions F-5 U.S. Energy Information Administration | Annual Energy Outlook 2014 Regional maps Figure F4. Oil and gas supply model regions Figure F4. Oil and Gas Supply Model Regions Atlantic WA MT WY ID NV UT CO AZ NM OK IA KS MO IL IN KY TN MS AL FL GA SC NC WV PA NJ MD DE NY CT ME RI MA NH VA WI MI OH NE SD MN ND AR OR CA VT East (1) Gulf of Mexico LA Gulf Coast (2)

  11. Annual Energy Outlook 2015 - Appendix F

    Gasoline and Diesel Fuel Update (EIA)

    7 U.S. Energy Information Administration | Annual Energy Outlook 2015 Regional maps Figure F6. Coal supply regions WA ID OR CA NV UT TX OK AR MO LA MS AL GA FL TN SC NC KY VA WV WY CO SD ND MI MN WI IL IN OH MD PA NJ DE CT MA NH VT NY ME RI MT NE IA KS MI AZ NM 500 0 SCALE IN MILES APPALACHIA Northern Appalachia Central Appalachia Southern Appalachia INTERIOR NORTHERN GREAT PLAINS Eastern Interior Western Interior Gulf Lignite Dakota Lignite Western Montana Wyoming, Northern Powder River Basin

  12. The role of the (111) texture on the exchange bias and interlayer coupling effects observed in sputtered NiFe/IrMn/Co trilayers

    SciTech Connect (OSTI)

    Castro, I. L.; Nascimento, V. P.; Passamani, E. C.; Takeuchi, A. Y.; Larica, C.; Tafur, M.; Pelegrini, F.

    2013-05-28

    Magnetic properties of sputtered NiFe/IrMn/Co trilayers grown on different seed layers (Cu or Ta) deposited on Si (100) substrates were investigated by magnetometry and ferromagnetic resonance measurements. Exchange bias effect and magnetic spring behavior have been studied by changing the IrMn thickness. As shown by X-ray diffraction, Ta and Cu seed layers provoke different degrees of (111) fcc-texture that directly affect the exchange bias and indirectly modify the exchange spring coupling behavior. Increasing the IrMn thickness, it was observed that the coupling angle between the Co and NiFe ferromagnetic layers increases for the Cu seed system, but it reduces for the Ta case. The results were explained considering (i) different anisotropies of the Co and IrMn layers induced by the different degree of the (111) texture and (ii) the distinct exchange bias set at the NiFe/IrMn and IrMn/Co interfaces in both systems. The NiFe and Co interlayer coupling angle is strongly correlated with both exchange bias and exchange magnetic spring phenomena. It was also shown that the highest exchange bias field occurs when an unstressed L1{sub 2} IrMn structure is stabilized.

  13. First principles treatment of structural, optical, and thermoelectric properties of Li{sub 7}MnN{sub 4} as electrode for a Li secondary battery

    SciTech Connect (OSTI)

    Khan, Wilayat; Reshak, A.H.

    2015-01-15

    The electronic structure, electronic charge density and linear optical properties of the metallic Li{sub 7}MnN{sub 4} compound, having cubic symmetry, are calculated using the full potential linearized augmented plane wave (FP-LAPW) method. The calculated band structure and density of states using the local density, generalized gradient and EngelVosko approximations, depict the metallic nature of the cubic Li{sub 7}MnN{sub 4} compound. The bands crossing the Fermi level in the calculated band structure are mainly from the Mn-d states with small support of N-p states. In addition, the Mn-d states at the Fermi level enhance the density of states, which is very useful for the electronic transport properties. The valence electronic charge density depicts strong covalent bond between Mn and two N atoms and polar covalent bond between Mn and Li atoms. The frequency dependent linear optical properties like real and imaginary part of the dielectric function, optical conductivity, reflectivity and energy loss function are calculated on the basis of the computed band structure. Both intra-band and inter-band transitions contribute to the calculated optical parameters. Using the BoltzTraP code, the thermoelectric properties like electrical and thermal conductivity, Seebeck coefficient, power coefficient and heat capacity of the Li{sub 7}MnN{sub 4} are also calculated as a function of temperature and studied.

  14. Electrical conductivity anomaly and X-ray photoelectron spectroscopy investigation of YCr{sub 1?x}Mn{sub x}O{sub 3} negative temperature coefficient ceramics

    SciTech Connect (OSTI)

    Zhang, Bo; University of Chinese Academy of Sciences, Beijing 100049 ; Zhao, Qing; Chang, Aimin E-mail: wuy@alfred.edu; Li, Yiyu; Liu, Yin; Wu, Yiquan E-mail: wuy@alfred.edu

    2014-03-10

    Electrical conductivity anomaly of perovskite-type YCr{sub 1?x}Mn{sub x}O{sub 3} negative temperature coefficient (NTC) ceramics produced by spark plasma sintering (SPS) has been investigated by using defect chemistry theory combination with X-ray photoelectron spectroscopy (XPS) analysis. From the results of the ln?-1/T curves and the XPS analysis, it can be considered that YCr{sub 1?x}Mn{sub x}O{sub 3} ceramics exhibit the hopping conductivity. The major carriers in YCrO{sub 3} are holes, which are compensated by the oxygen vacancies produced due to the introduction of Mn ions. The Mn{sup 4+} ion contents increase monotonically in the range of 0.2???x???0.5. The resistivity increases at first and then decreases with increasing Mn contents, which has the same varying tendency with activation energy. The electrical conductivity anomaly appearing in these ceramics may be due to the variation of Cr{sup 4+} and Mn{sup 4+} ions concentration as Mn content changes.

  15. Effect of CoFe insertion in Co{sub 2}MnSi/CoFe/n-GaAs junctions on spin injection properties

    SciTech Connect (OSTI)

    Ebina, Yuya; Akiho, Takafumi; Liu, Hong-xi; Yamamoto, Masafumi; Uemura, Tetsuya

    2014-04-28

    The CoFe thickness (t{sub CoFe}) dependence of spin injection efficiency was investigated for Co{sub 2}MnSi/CoFe/n-GaAs junctions. The ?V{sub NL}/I value, which is a measure of spin injection efficiency, strongly depended on t{sub CoFe}, where ?V{sub NL} is the amplitude of a nonlocal spin-valve signal, and I is an injection current. Importantly, the maximum value of ?V{sub NL}/I for a Co{sub 2}MnSi/CoFe/n-GaAs junction was one order of magnitude higher than that for a CoFe/n-GaAs junction, indicating that a Co{sub 2}MnSi electrode works as a highly polarized spin source. No clear spin signal, on the other hand, was observed for a Co{sub 2}MnSi/n-GaAs junction due to diffusion of Mn atoms into the GaAs channel. Secondary ion mass spectrometry analysis indicated that the CoFe insertion effectively suppressed the diffusion of Mn into GaAs, resulting in improved spin injection properties compared with those for a Co{sub 2}MnSi/n-GaAs junction.

  16. The effect of Ca-substitution in La-site on the magnetic properties of La{sub 2}CoMnO{sub 6}

    SciTech Connect (OSTI)

    Li, Qiu-hang; Li, Na; Hu, Jian-zhong; Han, Qi; Ma, Qing-shan; Ge, Lei; Xiao, Biao; Xu, Ming-xiang

    2014-07-21

    Double perovskite La{sub 2-x}Ca{sub x}CoMnO{sub 6} (x?=?0, 0.1, 0.2, 0.5) ceramics samples were synthesized by the standard solid-state reaction method. The crystal structures have been confirmed to be monoclinic perovskite structure with space group of P2{sub 1}/n at room temperature by the powder x-ray diffraction (Cu-K?). The grains of the samples are relatively dense and distribute in random directions from the scanning electron microscope patterns. Holes are doped into La{sub 2}CoMnO{sub 6} with the substitution of the Ca{sup 2+} ions in La-site, and further lead to the valences of Mn ions and Co ions transforming from Mn{sup 4+} and Co{sup 2+} to Mn{sup 3+} and Co{sup 3+}, respectively. Ferromagnetic coupling of Mn{sup 4+}-O{sup 2}-Co{sup 2+} and antiferromagnetic coupling of Mn{sup 3+}-O{sup 2}-Co{sup 3+} are coexistent in La{sub 2-x}Ca{sub x}CoMnO{sub 6} system, which correspond to two transitions existed in field-cooling magnetization versus temperature curves. Curie temperature of La{sub 2-x}Ca{sub x}CoMnO{sub 6} system decreases with the increasing of Ca-substitution amount. The coexistence of different magnetic phases leads to the exchange bias effect.

  17. Effect of L1{sub 2} ordering in antiferromagnetic Ir-Mn epitaxial layer on exchange bias of FePd films

    SciTech Connect (OSTI)

    Chang, Y. C.; Duh, J. G. E-mail: lin.yg@nsrrc.org.tw; Hsiao, S. N. E-mail: lin.yg@nsrrc.org.tw; Liu, S. H.; Su, S. H.; Chiu, K. F.; Hsieh, W. C.; Chen, S. K.; Lin, Y. G. E-mail: lin.yg@nsrrc.org.tw; Lee, H. Y.; Sung, C. K.

    2015-05-07

    Two series of samples of single-layer IrMn and IrMn/FePd bilayer films, deposited on a single-crystal MgO substrate at different IrMn deposition temperatures (T{sub s} = 300–700 °C), were investigated using magnetron sputtering. L1{sub 2} ordering was revealed for the 30 nm-thick IrMn epitaxial (001) films with T{sub s} ≥ 400 °C, determined by synchrotron radiation x-ray diffractometry (XRD). XRD results also provide evidence of the epitaxial growth of the IrMn films on MgO substrate. Increasing T{sub s} from 400 to 700 °C monotonically increases the ordering parameter of L1{sub 2} phases from 0.17 to 0.81. An in-plane exchange bias field (H{sub eb}) of 22 Oe is obtained in a 10 nm-thick FePd film that is deposited on the disordered IrMn films. As the L1{sub 2} ordering of the IrMn layers increases, the H{sub eb} gradually decreases to 0 Oe, meaning that the exchange bias behavior vanishes. The increased surface roughness, revealed by atomic force microscopy, of the epitaxial IrMn layers with increasing T{sub s} cannot be the main cause of the decrease in H{sub eb} due to the compensated surface spins regardless of the disordered and ordered (001) IrMn layers. The change of antiferromagnetic structure from the A1 to the L1{sub 2} phase was correlated with the evolution of H{sub eb}.

  18. Synthesis of murdochite-type Ni{sub 6}MnO{sub 8} with variable specific surface areas and the application in methane oxidation

    SciTech Connect (OSTI)

    Taguchi, Hideki; Tahara, Shohei; Okumura, Mikoto; Hirota, Ken

    2014-07-01

    To synthesize a murdochite-type Ni{sub 6}MnO{sub 8} with variable specific surface areas, an oxalate precursor was calcined at 350500 C in flowing argon, and the calcined sample was heated to 600 C in air. The lattice constant of the Ni{sub 6}MnO{sub 8} did not depend on the calcination temperature of the precursor, while the specific surface area decreased from 8.4 m{sup 2}/g to 2.6 m{sup 2}/g when increasing the calcination temperature of the precursor. The methane (CH{sub 4}) oxidation data indicated that the temperature corresponding to the 50% conversion (T{sub 50%}) of Ni{sub 6}MnO{sub 8} calcined at 350 C or 400 C was lower than that of all other Ni{sub 6}MnO{sub 8} specimens. However, the intrinsic conversion of Ni{sub 6}MnO{sub 8} calcined at 350 C, which is defined as conversion per specific surface area, was half of that of all other Ni{sub 6}MnO{sub 8} specimens. The degree of crystallinity and catalytic performance of the Ni{sub 6}MnO{sub 8} calcined at 400 C were high. - Graphical abstract: The conversion of CH{sub 4} into CO{sub 2} and H{sub 2}O on Ni{sub 6}MnO{sub 8}, which was heated at 600 C in air after the calcination of the precursor at 350 C, 400 C, 450 C, or 500 C in flowing argon, was measured. Since the specific surface area was strongly affected by the calcination temperature of the precursor, intrinsic conversion (IC) was defined as conversion per the specific surface area. For comparison, the IC value on Ni{sub 6}MnO{sub 8} synthesized by the direct calcination of the precursor at 600 C in air is plotted. - Highlights: The oxalate precursor was calcined at 350500 C in flowing argon. Murdochite-type Ni{sub 6}MnO{sub 8} was obtained by heating the calcined sample in air. The specific surface area of Ni{sub 6}MnO{sub 8} varied with the calcination temperature. The degree of crystallinity and catalysis of Ni{sub 6}MnO{sub 8} calcined at 400 C were high.

  19. Strong room-temperature ferromagnetism of high-quality lightly Mn-doped ZnO grown by molecular beam epitaxy

    SciTech Connect (OSTI)

    Zuo Zheng; Zhou Huimei; Olmedo, Mario J.; Kong Jieying; Liu Jianlin; Beyermann, Ward P.; Zheng Jianguo; Xin Yan

    2012-09-01

    Strong room-temperature ferromagnetism is demonstrated in single crystalline Mn-doped ZnO grown by molecular beam epitaxy. With a low Mn concentration of 2 Multiplication-Sign 10{sup 19} cm{sup -3}, Mn-doped ZnO films exhibited room-temperature ferromagnetism with a coercivity field larger than 200 Oe, a large saturation moment of 6 {mu}{sub B}/ion, and a large residue moment that is {approx}70% of the saturation magnetization. Isolated ions with long range carrier mediated spin-spin coupling may be responsible for the intrinsic ferromagnetism.

  20. Magneto-transport in LaTi{sub 1−x}Mn{sub x}O{sub 3}/SrTiO{sub 3} oxide heterostructures

    SciTech Connect (OSTI)

    Kumar, Pramod Dogra, Anjana Budhani, R. C.

    2014-04-24

    We report the growth of ultrathin film of Mn doped LaTiO{sub 3} on TiO{sub 2} terminated SrTiO{sub 3} (001) substrate by pulsed laser deposition (PLD) and their electrical transport characteristics including magnetoresistance (MR). Though the replacement of Mn in LaTiO{sub 3} at the Ti site in dilute limit does not affect the metallic behaviour of films but variation in resistance is observed. Normalised resistance behaviour is explained on the basis of variation in charge carriers and increased interaction between Mn atoms in the system under investigation.

  1. Atomic moments in Mn2CoAl thin films analyzed by X-ray magnetic circular dichroism

    SciTech Connect (OSTI)

    Jamer, M.; Sterbinsky, G.; Assaf, B.; Arena, D.; Heiman, D.

    2014-12-05

    Spin gapless semiconductors are known to be strongly affected by structural disorder when grown epitaxially as thin films. The magnetic properties of Mn2CoAl thin films grown on GaAs (001) substrates are investigated here as a function of annealing. This study investigates the atomic-specific magnetic moments of Mn and Co atoms measured through X-ray magnetic circular dichroism as a function of annealing and the consequent structural ordering. The results indicate that the structural distortion mainly affects the Mn atoms as seen by the reduction of the magnetic moment from its predicted value. (auth)

  2. Atomic moments in Mn2CoAl thin films analyzed by X-ray magnetic circular dichroism

    SciTech Connect (OSTI)

    Jamer, M. E.; Assaf, B. A.; Sterbinsky, G. E.; Arena, D. A.; Heiman, D.

    2014-12-05

    Spin gapless semiconductors are known to be strongly affected by structural disorder when grown epitaxially as thin films. The magnetic properties of Mn2CoAl thin films grown on GaAs (001) substrates are investigated here as a function of annealing. This study investigates the atomic-specific magnetic moments of Mn and Co atoms measured through X-ray magnetic circular dichroism as a function of annealing and the consequent structural ordering. Results indicate that the structural distortion mainly affects the Mn atoms as seen by the reduction of the magnetic moment from its predicted value.

  3. Surface Cleaning Techniques: Ultra-Trace ICP-MS Sample Preparation and Assay of HDPE

    SciTech Connect (OSTI)

    Overman, Nicole R.; Hoppe, Eric W.; Addleman, Raymond S.

    2013-06-01

    The world’s most sensitive radiation detection and assay systems depend upon ultra-low background (ULB) materials to reduce unwanted radiological backgrounds. Herein, we evaluate methods to clean HDPE, a material of interest to ULB systems and the means to provide rapid assay of surface and bulk contamination. ULB level material and ultra-trace level detection of actinide elements is difficult to attain, due to the introduction of contamination from sample preparation equipment such as pipette tips, sample vials, forceps, etc. and airborne particulate. To date, literature available on the cleaning of such polymeric materials and equipment for ULB applications and ultra-trace analyses is limited. For these reasons, a study has been performed to identify an effective way to remove surface contamination from polymers in an effort to provide improved instrumental detection limits. Inductively Coupled Plasma Mass Spectroscopy (ICP-MS) was utilized to assess the effectiveness of a variety of leachate solutions for removal of inorganic uranium and thorium surface contamination from polymers, specifically high density polyethylene (HDPE). HDPE leaching procedures were tested to optimize contaminant removal of thorium and uranium. Calibration curves for thorium and uranium ranged from 15 ppq (fg/mL) to 1 ppt (pg/mL). Detection limits were calculated at 6 ppq for uranium and 7 ppq for thorium. Results showed the most effective leaching reagent to be clean 6 M nitric acid for 72 hour exposures. Contamination levels for uranium and thorium found in the leachate solutions were significant for ultralow level radiation detection applications.

  4. Magnetic Transitions in the Spin-5/2 Frustrated Magnet BiMn2PO6 and Strong Lattice Softening in BiMn2PO6 and BiZn2PO6 Below 200 K

    SciTech Connect (OSTI)

    Nath, R; Ranjith, K M; Roy, B; Johnston, D C; Furukawa, Y; Tsirlin, A A

    2014-07-01

    The crystallographic, magnetic, and thermal properties of polycrystalline BiMn2PO6 and its nonmagnetic analog BiZn2PO6 are investigated by x-ray diffraction, magnetization M, magnetic susceptibility ?, heat capacity Cp, and P31 nuclear magnetic resonance (NMR) measurements versus applied magnetic field H and temperature T as well as by density-functional band theory and molecular-field calculations. Both compounds show a strong monotonic lattice softening on cooling, where the Debye temperature decreases by a factor of two from ?D?650 K at T=300 K to ?D?300 K at T=2 K. The ?(T) data for BiMn2PO6 above 150 K follow a Curie-Weiss law with a Curie constant consistent with a Mn+2 spin S=5/2 with g factor g=2 and an antiferromagnetic (AFM) Weiss temperature ?CW??78 K. The ? data indicate long-range AFM ordering below TN?30 K, confirmed by a sharp ?-shaped peak in Cp(T) at 28.8 K. The magnetic entropy at 100 K extracted from the Cp(T) data is consistent with spin S=5/2 for the Mn+2 cations. The band-theory calculations indicate that BiMn2PO6 is an AFM compound with dominant interactions J1/kB?6.7 K and J3/kB?5.6 K along the legs and rungs of a Mn two-leg spin-ladder, respectively. However, sizable and partially frustrating interladder couplings lead to an anisotropic three-dimensional magnetic behavior with long-range AFM ordering at TN?30 K observed in the ?, Cp, and NMR measurements. A second magnetic transition at ?10 K is observed from the ? and NMR measurements but is not evident in the Cp data. The Cp data at low T suggest a significant contribution from AFM spin waves moving in three dimensions and the absence of a spin-wave gap. A detailed analysis of the NMR spectra indicates commensurate magnetic order between 10 and 30 K, while below 10 K additional features appear that may arise from an incommensurate modulation and/or spin canting. The commensurate order is consistent with microscopic density functional calculations that yield a collinear Nel-type AFM spin arrangement both within and between the ladders, despite the presence of multiple weak interactions frustrating this magnetic structure of the Mn spins. Frustration for AFM ordering and the one-dimensional spatial anisotropy of the three-dimensional spin interactions are manifested in the frustration ratio f=|?CW|/TN?2.6, indicating a suppression of TN from 68 K in the absence of these effects to the observed value of about 30 K in BiMn2PO6.

  5. Project Final Report: Ubiquitous Computing and Monitoring System (UCoMS) for Discovery and Management of Energy Resources

    SciTech Connect (OSTI)

    Tzeng, Nian-Feng; White, Christopher D.; Moreman, Douglas

    2012-07-14

    The UCoMS research cluster has spearheaded three research areas since August 2004, including wireless and sensor networks, Grid computing, and petroleum applications. The primary goals of UCoMS research are three-fold: (1) creating new knowledge to push forward the technology forefronts on pertinent research on the computing and monitoring aspects of energy resource management, (2) developing and disseminating software codes and toolkits for the research community and the public, and (3) establishing system prototypes and testbeds for evaluating innovative techniques and methods. Substantial progress and diverse accomplishment have been made by research investigators in their respective areas of expertise cooperatively on such topics as sensors and sensor networks, wireless communication and systems, computational Grids, particularly relevant to petroleum applications.

  6. Enhance D. C. resistivity of Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} ceramic by acceptor (Mn) doping

    SciTech Connect (OSTI)

    Sharma, Hakikat Arya, G. S.; Pramar, Kusum; Negi, N. S.

    2015-05-15

    In the present work, we prepared Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} and Mn (2 and 3 at % on Ti site) doped Ba{sub 0.7}Sr{sub 0.3}TiO{sub 3} ceramic by sol- gel method. The samples were characterized by X-ray diffraction (XRD). The XRD patterns reveled that Mn ions did not change the perovskite structure of BST (70/30). The dielectric measurements proved that dielectric constant decreased with Mn doping. The dc resistivity was studied by using I-V measurements. The dc resistivity of the BST increased with Mn doping, which suppressed the leakage current.

  7. Properties of molecular beam epitaxy grown Eu{sub x}(transition metal){sub y} films (transition metals: Mn, Cr)

    SciTech Connect (OSTI)

    Balin, K.; Nowak, A.; Gibaud, A.; Szade, J.; Celinski, Z.

    2011-04-01

    The electronic and crystallographic structures, as well as the magnetic properties, of Eu{sub x}(transition metal){sub y} (transition metals: Mn, Cr) thin films grown by molecular beam epitaxy were studied. Relative changes of the Eu/Mn and Eu/Cr ratios derived from the XPS lines, as well as x-ray reflectivity, indicate mixing of the Eu/Mn and Eu/Cr layers. Valency transitions from Eu{sup 2+} to Eu{sup 3+} were observed in both systems for most studied stoichiometries. A transition to a magnetically ordered phase was observed at 15 K, 40 K, and 62 K for selected films in the Eu-Mn system, and at 50 K for the film with a Eu/Cr ratio of 0.5.

  8. Bicolor Mn-doped CuInS{sub 2}/ZnS core/shell nanocrystals for white light-emitting diode with high color rendering index

    SciTech Connect (OSTI)

    Huang, Bo; Dai, Qian; Zhang, Huichao; Liao, Chen; Cui, Yiping; Zhang, Jiayu; Zhuo, Ningze; Jiang, Qingsong; Shi, Fenghua; Wang, Haibo

    2014-09-07

    We synthesized bicolor Mn-doped CuInS{sub 2} (CIS)/ZnS core/shell nanocrystals (NCs), in which Mn{sup 2+} ions and the CIS core were separated with a ZnS layer, and both Mn{sup 2+} ions and CIS cores could emit simultaneously. Transmission electron microscopy and powder X-ray diffraction measurements indicated the epitaxial growth of ZnS shell on the CuInS{sub 2} core, and electron paramagnetic resonance spectrum indicated that Mn{sup 2+} ions were on the lattice points of ZnS shell. By integrating these bicolor NCs with commercial InGaN-based blue-emitting diodes, tricolor white light-emitting diodes with color rendering index of 83 were obtained.

  9. Ms. Elizabeth Withers, EIS Document Manager U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA)

    National Nuclear Security Administration (NNSA)

    August 14, 2002 Ms. Elizabeth Withers, EIS Document Manager U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA) Office of Los Alamos Site Operations (OLASO) 528 35 th Street Los Alamos, NM 87544 Re: Comments regarding the scope of the Environmental Impact Statement (EIS) for the proposed Chemistry and Metallurgy Research (CMR) Building Replacement (CMRR) Project (CMRRP) at Los Alamos National Laboratory (LANL) (the "CMRRP EIS") Dear Elizabeth - I won't be

  10. Magneto-transport properties of oriented Mn{sub 2}CoAl films sputtered on thermally oxidized Si substrates

    SciTech Connect (OSTI)

    Xu, G. Z.; Du, Y.; Zhang, X. M.; Liu, E. K.; Wang, W. H. Wu, G. H.; Zhang, H. G.

    2014-06-16

    Spin gapless semiconductors are interesting family of materials by embracing both magnetism and semiconducting due to their unique band structure. Its potential application in future spintronics requires realization in thin film form. In this Letter, we report fabrication and transport properties of spin gapless Mn{sub 2}CoAl films prepared on thermally oxidized Si substrates by magnetron sputtering deposition. The films deposited at 673 K are well oriented to (001) direction and display a uniform-crystalline surface. Magnetotransport measurements on the oriented films reveal a semiconducting-like resistivity, small anomalous Hall conductivity, and linear magnetoresistance representative of the transport signatures of spin gapless semiconductors. The magnetic properties of the films have also been investigated and compared to that of bulk Mn{sub 2}CoAl, showing small discrepancy induced by the composition deviation.

  11. Metallic transport and large anomalous Hall effect at room temperature in ferrimagnetic Mn{sub 4}N epitaxial thin film

    SciTech Connect (OSTI)

    Shen, Xi; Shigematsu, Kei; Chikamatsu, Akira Fukumura, Tomoteru; Hirose, Yasushi; Hasegawa, Tetsuya

    2014-08-18

    We report the electrical transport properties of ferrimagnetic Mn{sub 4}N (001) epitaxial thin films grown by pulsed laser deposition on MgO (001) substrates. The Mn{sub 4}N thin films were tetragonally distorted with a ratio of out-of-plane to in-plane lattice constants of 0.987 and showed perpendicular magnetic anisotropy with an effective magnetic anisotropy constant of 0.16?MJ/m{sup 3}, which is comparable with that of a recently reported molecular-beam-epitaxy-grown film. The thin films exhibited metallic transport with a room temperature resistivity of 125??? cm in addition to a large anomalous Hall effect with a Hall angle tangent of 0.023.

  12. Alternating magnetic anisotropy of Li 2 ( Li 1 - x T x ) N ( T = Mn , Fe , Co , and Ni )

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jesche, A.; Ke, L.; Jacobs, J. L.; Harmon, B.; Houk, R. S.; Canfield, P. C.

    2015-05-01

    Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li?(Li1-xTx)N. Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with magnitudes significantly exceeding the spin-only value. The additional contributions stem from unquenched orbital moments that lead to rare-earth-like behavior of the magnetic properties. Accordingly, extremely large magnetic anisotropies have been found. Most notably, the magnetic anisotropy alternates as easy plane?easy axis?easy plane?easy axis when progressing from T = Mn ? Fe ? Co ? Ni. This behavior can be understood based on a perturbation approach in an analytical, single-ion model.moreThe calculated magnetic anisotropies show surprisingly good agreement with the experiment and capture the basic features observed for the different transition metals.less

  13. The effects of high magnetic field on the morphology and microwave electromagnetic properties of MnO{sub 2} powder

    SciTech Connect (OSTI)

    Jia Zhang [Department of Materials Processing Engineering, School of Materials Science and Engineering, Dalian University of Technology, Linggong Road 2, Ganjingzi District, Dalian 116085, Liaoning Province (China); Duan Yuping, E-mail: duanyp@dlut.edu.c [Department of Materials Processing Engineering, School of Materials Science and Engineering, Dalian University of Technology, Linggong Road 2, Ganjingzi District, Dalian 116085, Liaoning Province (China); Li Shuqing, E-mail: lsq6668@126.co [Beijing Aeronautical Manufacturing Technology Research Institute, 1 Jun Zhuang east Road, Chaoyang District, Beijing 100024 (China); Li Xiaogang, E-mail: lixiaogang99@263.ne [School of Materials Science and Engineering, University of Science and Technology Beijing, 30 Xueyuan Road, Haidian District, Beijing 100083 (China); Liu Shunhua [Department of Materials Processing Engineering, School of Materials Science and Engineering, Dalian University of Technology, Linggong Road 2, Ganjingzi District, Dalian 116085, Liaoning Province (China)

    2010-07-15

    MnO{sub 2} with a sea urchin-like ball chain shape was first synthesized in a high magnetic field via a simple chemical process, and a mechanism for the formation of this grain shape was discussed. The as-synthesized samples were characterized by XRD, SEM, TEM, and vector network analysis. The dielectric constant and the loss tangent clearly decreased under a magnetic field. The magnetic loss tangent and the imaginary part of the magnetic permeability increased substantially. Furthermore, the theoretically calculated values of reflection loss showed that the absorption peaks shifted to a higher frequency with increases in the magnetic field strength. - Graphical abstract: MnO{sub 2} with a sea urchin-like ball chain shape is first synthesized in a high magnetic field via a simple hydrothermal route.

  14. Alternating magnetic anisotropy of Li2(Li1xTx)N(T=Mn,Fe,Co,andNi)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jesche, A.; Ke, L.; Jacobs, J. L.; Harmon, B.; Houk, R. S.; Canfield, P. C.

    2015-05-11

    Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li2(Li1xTx)N. Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with magnitudes significantly exceeding the spin-only value. The additional contributions stem from unquenched orbital moments that lead to rare-earth-like behavior of the magnetic properties. Accordingly, extremely large magnetic anisotropies have been found. Most notably, the magnetic anisotropy alternates as easy plane?easy axis?easy plane?easy axis when progressing from T = Mn ? Fe ? Co ? Ni. This behavior can be understood based on a perturbation approach in an analytical, single-ion model.moreAs a result, the calculated magnetic anisotropies show surprisingly good agreement with the experiment and capture the basic features observed for the different transition metals.less

  15. Enhanced magnetic hysteresis in Ni-Mn-Ga single crystal and its influence on magnetic shape memory effect

    SciTech Connect (OSTI)

    Heczko, O. Drahokoupil, J.; Straka, L.

    2015-05-07

    Enhanced magnetic hysteresis due to boron doping in combination with magnetic shape memory effect in Ni-Mn-Ga single crystal results in new interesting functionality of magnetic shape memory (MSM) alloys such as mechanical demagnetization. In Ni{sub 50.0}Mn{sub 28.5}Ga{sub 21.5} single crystal, the boron doping increased magnetic coercivity from few Oe to 270?Oe while not affecting the transformation behavior and 10?M martensite structure. However, the magnetic field needed for MSM effect also increased in doped sample. The magnetic behavior is compared to undoped single crystal of similar composition. The evidence from the X-ray diffraction, magnetic domain structure, magnetization loops, and temperature evolution of the magnetic coercivity points out that the enhanced hysteresis is caused by stress-induced anisotropy.

  16. Extended investigation of intermartensitic transitions in Ni-Mn-Ga magnetic shape memory alloys: A detailed phase diagram determination

    SciTech Connect (OSTI)

    akir, Asli; Aktrk, Seluk; Righi, Lara

    2013-11-14

    Martensitic transitions in shape memory Ni-Mn-Ga Heusler alloys take place between a high temperature austenite and a low temperature martensite phase. However, intermartensitic transformations have also been encountered that occur from one martensite phase to another. To examine intermartensitic transitions in magnetic shape memory alloys in detail, we carried out temperature dependent magnetization, resistivity, and x-ray diffraction measurements to investigate the intermartensitic transition in Ni{sub 50}Mn{sub 50x}Ga{sub x} in the composition range 12?x?25 at. %. Rietveld refined x-ray diffraction results are found to be consistent with magnetization and resistivity data. Depending on composition, we observe that intermartensitic transitions occur in the sequences 7M?L1{sub 0},?5M?7M, and 5M?7M?L1{sub 0} with decreasing temperature. The L1{sub 0} non-modulated structure is most stable at low temperature.

  17. Alternating magnetic anisotropy of Li2(Li1–xTx)N (T = Mn, Fe, Co, and Ni)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jesche, A.; Ke, L.; Jacobs, J. L.; Harmon, B.; Houk, R. S.; Canfield, P. C.

    2015-05-11

    Substantial amounts of the transition metals Mn, Fe, Co, and Ni can be substituted for Li in single crystalline Li2(Li1–xTx)N. Isothermal and temperature-dependent magnetization measurements reveal local magnetic moments with magnitudes significantly exceeding the spin-only value. The additional contributions stem from unquenched orbital moments that lead to rare-earth-like behavior of the magnetic properties. Accordingly, extremely large magnetic anisotropies have been found. Most notably, the magnetic anisotropy alternates as easy plane→easy axis→easy plane→easy axis when progressing from T = Mn → Fe → Co → Ni. This behavior can be understood based on a perturbation approach in an analytical, single-ion model.more » As a result, the calculated magnetic anisotropies show surprisingly good agreement with the experiment and capture the basic features observed for the different transition metals.« less

  18. Epitaxial Mn{sub 2.5}Ga thin films with giant perpendicular magnetic anisotropy for spintronic devices

    SciTech Connect (OSTI)

    Wu Feng; Mizukami, Shigemi; Watanabe, Daisuke; Miyazaki, Terunobu; Naganuma, Hiroshi; Oogane, Mikihiko; Ando, Yasuo

    2009-03-23

    We report on epitaxial growth and magnetic properties of Mn{sub 2.5}Ga thin films, which were deposited on Cr/MgO single crystal substrates by magnetron sputtering. X-ray diffraction results revealed the epitaxial relationships as Mn{sub 2.5}Ga(001)[100] parallel Cr(001)[110] parallel MgO(001)[100]. The presence of (002) and (011) superlattice peaks indicates that the films were crystallized into DO{sub 22} ordered structures. The perpendicular magnetic anisotropy (PMA) properties were found to be related to the extent of DO{sub 22} chemical ordering. A giant PMA (K{sub u}{sup eff}=1.2x10{sup 7} erg/cm{sup 3}) and low saturation magnetization (M{sub s}=250 emu/cm{sup 3}) can be obtained for the film with highest chemical ordering parameter (S=0.8)

  19. Conditions for spin-gapless semiconducting behavior in Mn{sub 2}CoAl inverse Heusler compound

    SciTech Connect (OSTI)

    Galanakis, I.; zdo?an, K.; ?a??o?lu, E.; Blgel, S.

    2014-03-07

    Employing ab initio electronic structure calculations, we investigate the conditions for spin-gapless semiconducting (SGS) behavior in the inverse Mn{sub 2}CoAl Heusler compound. We show that tetragonalization of the lattice, which can occur during films growth, keeps the SGS character of the perfect cubic compound. On the contrary, atomic swaps even between sites with different local symmetry destroy the SGS character giving rise to a half-metallic state. Furthermore, the occurrence of Co-surplus leads also to half-metallicity. Thus, we propose that in order to achieve SGS behavior during the growth of Mn{sub 2}CoAl (and similar SGS Heusler compounds) thin films, one should minimize the occurrence of defects, while small deformations of the lattice, due to the lattice mismatch with the substrate, do not play a crucial role.

  20. Temperature-induced martensite in magnetic shape memory Fe{sub 2}MnGa observed by photoemission electron microscopy

    SciTech Connect (OSTI)

    Jenkins, Catherine; Scholl, Andreas; Kainuma, R.; Elmers, Hans-Joachim; Omori, Toshihiro

    2012-01-18

    The magnetic domain structure in single crystals of a Heusler shape memory compound near the composition Fe{sub 2}MnGa was observed during phase transition by photoelectron emission microscopy at Beamline 11.0.1.1 of the Advanced Light Source. The behavior is comparable with recent observations of an adaptive martensite phase in prototype Ni{sub 2}MnGa, although the pinning in the recent work is an epitaxial interface and in this work the e#11;ective pinning plane is a boundary between martensitic variants that transform in a self-accommodating way from the single crystal austenite phase present at high temperatures. Temperature dependent observations of the twinning structure give information as to the coupling behavior between the magnetism and the structural evolution.

  1. Structural, morphological, and magnetic characterization of In{sub 1-x}Mn{sub x}As quantum dots grown by molecular beam epitaxy

    SciTech Connect (OSTI)

    Ferri, F. A.; Marega, E. Jr.; Coelho, L. N.; Kunets, V. P.; Salamo, G. J.

    2012-08-01

    In this paper, we present a method to order low temperature (LT) self-assembled ferromagnetic In{sub 1-x}Mn{sub x}As quantum dots (QDs) grown by molecular beam epitaxy (MBE). The ordered In{sub 1-x}Mn{sub x}As QDs were grown on top of a non-magnetic In{sub 0.4}Ga{sub 0.6}As/GaAs(100) QDs multi-layered structure. The modulation of the chemical potential, due to the stacking, provides a nucleation center for the LT In{sub 1-x}Mn{sub x}As QDs. For particular conditions, such as surface morphology and growth conditions, the In{sub 1-x}Mn{sub x}As QDs align along lines like chains. This work also reports the characterization of QDs grown on plain GaAs(100) substrates, as well as of the ordered structures, as function of Mn content and growth temperature. The substitutional Mn incorporation in the InAs lattice and the conditions for obtaining coherent and incoherent structures are discussed from comparison between Raman spectroscopy and x-ray analysis. Ferromagnetic behavior was observed for all structures at 2 K. We found that the magnetic moment axis changes from [110] in In{sub 1-x}Mn{sub x}As over GaAs to [1-10] for the ordered In{sub 1-x}Mn{sub x}As grown over GaAs template.

  2. Magnetism in La₂O₃(Fe₁₋xMnx)₂Se₂ tuned by Fe/Mn ratio

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lei, Hechang; Bozin, Emil S.; Llobet, A.; Ivanovski, V.; Koteski, V.; Belosevic-Cavor, J.; Cekic, B.; Petrovic, C.

    2012-09-17

    We report the evolution of structural and magnetic properties in La₂O₃(Fe₁₋xMnx)₂Se₂. Heat capacity and bulk magnetization indicate an increased ferromagnetic component of the long-range magnetic order and possible increased degree of frustration. Atomic disorder on Fe(Mn) sites suppresses the temperature of the long-range order whereas intermediate alloys show a rich magnetic phase diagram.

  3. Determination of elastic properties of a MnO{sub 2} coating by surface acoustic wave velocity dispersion analysis

    SciTech Connect (OSTI)

    Sermeus, J.; Glorieux, C.; Sinha, R.; Vereecken, P. M.; Vanstreels, K.

    2014-07-14

    MnO{sub 2} is a material of interest in the development of high energy-density batteries, specifically as a coating material for internal 3D structures, thus ensuring rapid energy deployment. Its electrochemical properties have been mapped extensively, but there are, to the best of the authors' knowledge, no records of the elastic properties of thin film MnO{sub 2}. Impulsive stimulated thermal scattering (ISTS), also known as the heterodyne diffraction or transient grating technique, was used to determine the Young's modulus (E) and porosity (?) of a 500?nm thick MnO{sub 2} coating on a Si(001) substrate. ISTS is an all optical method that is able to excite and detect surface acoustic waves (SAWs) on opaque samples. From the measured SAW velocity dispersion, the Young's modulus and porosity were determined to be E?=?25??1?GPa and ?=421%, respectively. These values were confirmed by independent techniques and determined by a most-squares analysis of the carefully fitted SAW velocity dispersion. This study demonstrates the ability of the presented technique to determine the elastic parameters of a thin, porous film on an anisotropic substrate.

  4. Correlating Local Structure with Electrochemical Activity in Li2MnO3

    SciTech Connect (OSTI)

    Nanda, Jagjit; Sacci, Robert L.; Veith, Gabriel M.; Dixit, Hemant M.; Cooper, Valentino R.; Pezeshki, Alan M.; Ruther, Rose E.

    2015-07-31

    Li2MnO3 is of interest as one component of the composite lithium-rich oxides, which are under development for high capacity, high voltage cathodes in lithium ion batteries. Despite such practical importance, the mechanism of electrochemical activity in Li2MnO3 is contested in the literature, as are the effects of long-term electrochemical cycling. Here, Raman spectroscopy and mapping are used to follow the chemical and structural changes that occur in Li2MnO3. Both conventional slurry electrodes and thin films are studied as a function of the state of charge (voltage) and cycle number. Thin films have similar electrochemical properties as electrodes prepared from slurries, but allow for spectroscopic investigations on uniform samples without carbon additives. Spectral changes correlate well with electrochemical activity and support a mechanism whereby capacity is lost upon extended cycling due to the formation of new manganese oxide phases. Raman mapping of both thin film and slurry electrodes charged to different voltages reveals significant variation in the local structure. Poor conductivity and slow kinetics associated with a two-phase reaction mechanism contribute to the heterogeneity.

  5. Magnetoelectric coupling tuned by competing single iron anisotropies in Mn1-xNixTiO3

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chi, Songxue; Ye, Feng; Zhou, Haidong D.; Choi, E. S.; Hwang, J.; Cao, Huibo; Fernandez-Baca, Jaime A.

    2014-01-01

    A flop of electric polarization from Pc to Pa is observed in MnTiO3 as a spin flop transtion is triggered by a c-axis magnetic field, Hc=7 T. The critical magnetic field for Pa is significantly reduced in Mn1-xNixTiO3 (x=0.33). Neutron diffraction measurements revealed similar magnetic arrangements for the two compositions where the ordered spins couple antiferromagnetically with their nearest intra- and inter-planar neighbors. In the x=0.33 system, the single ion anisotropies of Mn2+ and Ni2+ compete and give rise to an additional spin reorientation transition at TR. A magnetic field, Hc, aligns the spins along c for TRN. The rotationmore » of the collinear spins away from the c-axis for TR alters the magnetic point symmetry and gives rise to new ME susceptibility tensor form. Such linear ME response provides satisfactory explanation for behavior of field-induced electric polarization in both compositions. As the Ni content increases to x=0.5 and 0.68, the ME effect disappears as a new magnetic phase emerges.« less

  6. Observation of the large magnetocaloric effect and suppression of orbital entropy change in Fe-doped MnV{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Huang, Z. H.; Luo, X. E-mail: ypsun@issp.ac.cn; Hu, L.; Tan, S. G.; Liu, Y.; Yuan, B.; Chen, J.; Song, W. H.; Sun, Y. P. E-mail: ypsun@issp.ac.cn

    2014-01-21

    We present the structural and magnetic properties of Mn{sub 1−x}Fe{sub x}V{sub 2}O{sub 4} (x = 0.1, 0.2, and 0.3), and investigate the magnetocaloric effect in those compounds. The ferrimagnetic spin ordering is enhanced with the Fe doping at Mn site of MnV{sub 2}O{sub 4}, while the orbital ordering is suppressed. Large magnetic entropy changes up to 3.8 J/kg K as well as the relative cooling power up to 110 J/kg at the field change of 0-2 T for Mn{sub 1−x}Fe{sub x}V{sub 2}O{sub 4} are calculated from the isothermal magnetization measurements. The large orbital entropy change of MnV{sub 2}O{sub 4} is suppressed by the Fe doping, while the spin entropy contribution arising from the strong spin-orbit coupling remains. Moreover, the doping of Fe broadens the temperature span of the large magnetic entropy change and increases the relative cooling power of MnV{sub 2}O{sub 4} by 2.4 times.

  7. X-ray magnetic spectroscopy of MBE-grown Mn-doped Bi{sub 2}Se{sub 3} thin films

    SciTech Connect (OSTI)

    Collins-McIntyre, L. J.; Watson, M. D.; Zhang, S. L.; Coldea, A. I.; Hesjedal, T.; Baker, A. A.; Harrison, S. E.; Pushp, A.; Kellock, A. J.; Parkin, S. S. P.; Laan, G. van der

    2014-12-15

    We report the growth of Mn-doped Bi{sub 2}Se{sub 3} thin films by molecular beam epitaxy (MBE), investigated by x-ray diffraction (XRD), atomic force microscopy (AFM), SQUID magnetometry and x-ray magnetic circular dichroism (XMCD). Epitaxial films were deposited on c-plane sapphire substrates by co-evaporation. The films exhibit a spiral growth mechanism typical of this material class, as revealed by AFM. The XRD measurements demonstrate a good crystalline structure which is retained upon doping up to ?7.5 atomic-% Mn, determined by Rutherford backscattering spectrometry (RBS), and show no evidence of the formation of parasitic phases. However an increasing interstitial incorporation of Mn is observed with increasing doping concentration. A magnetic moment of 5.1 ?{sub B}/Mn is obtained from bulk-sensitive SQUID measurements, and a much lower moment of 1.6 ?{sub B}/Mn from surface-sensitive XMCD. At ?2.5 K, XMCD at the Mn L{sub 2,3} edge, reveals short-range magnetic order in the films and indicates ferromagnetic order below 1.5 K.

  8. Electrode Materials with the Na0.44MnO2 Structure: Effect ofTitanium Substitution on Physical and Electrochemical Properties

    SciTech Connect (OSTI)

    Doeff, Marca M; Saint, Juliette A.; Doeff, Marca M; Wilcox, James D.

    2008-03-10

    The physical and electrochemical properties of LixMnO2 and LixTi0.11Mn0.89O2 synthesized from precursors made by glycine-nitrate combustion (GNC) and solid-state synthesis methods (SS) are examined in this paper. The highest specific capacities in lithium cells are obtained for SS-LixMnO2 electrodes at low current densities, but GNC-LixTi0.11Mn0.89O2 electrodes show the best high rate performance. These results can be explained by changes in the voltage characteristics and differences in the particle morphologies induced by the Ti-substitution and synthesis method. Ti-substitution also results in a decrease in the electronic conductivity, but greatly improves the thermal properties and imparts dissolution resistance to the electrode. For these reasons, it is preferable to use LixTi0.11MnO0.89O2 in lithium battery configurations rather than LixMnO2. Suggestions for improving the electrochemical performance of the Ti-substituted variant are given based on the results described herein.

  9. Crystallographic, magnetic, and electronic structures of ferromagnetic shape memory alloys Ni{sub 2}XGa (X=Mn,Fe,Co) from first-principles calculations

    SciTech Connect (OSTI)

    Bai, J.; Raulot, J. M.; Zhang, Y. D.; Esling, C.; Zhao, X.; Zuo, L.

    2011-01-01

    The crystallographic, magnetic and electronic structures of the ferromagnetic shape memory alloys Ni{sub 2}XGa (X=Mn, Fe, and Co), are systematically investigated by means of the first-principles calculations within the framework of density functional theory using the VIENNA AB INITIO SOFTWARE PACKAGE. The lattice parameters of both austenitic and martensitic phases in Ni{sub 2}MnGa have been calculated. The formation energies of the cubic phase of Ni{sub 2}XGa are estimated, and show a destabilization tendency if Mn atom is substituted by Fe or Co. From Ni{sub 2}MnGa to Ni{sub 2}CoGa, the down spin total density of states (DOS) at Fermi level is gradually increasing, whereas that of the up spin part remains almost unchanged. This is the main origin of the difference of the magnetic moment in these alloys. The partial DOS is dominated by the Ni and Mn 3d states in the bonding region below E{sub F}. There are two bond types existing in Ni{sub 2}XGa: one is between neighboring Ni atoms in Ni{sub 2}MnGa; the other is between Ni and X atoms in Ni{sub 2}FeGa and Ni{sub 2}CoGa alloys.

  10. Structural investigations on Co{sub 3-x}Mn{sub x}TeO{sub 6}; (0 < x ? 2); High temperature ferromagnetism and enhanced low temperature anti-ferromagnetism

    SciTech Connect (OSTI)

    Singh, Harishchandra; Sinha, A. K. E-mail: hng@rrcat.gov.in; Ghosh, Haranath E-mail: hng@rrcat.gov.in; Singh, M. N.; Rajput, Parasmani; Prajapat, C. L.; Singh, M. R.; Ravikumar, G.

    2014-08-21

    In the quest of materials with high temperature ferromagnetism and low temperature anti-ferromagnetism, we prepare Co{sub 3-x}Mn{sub x}TeO{sub 6}; (0?Mn concentration using Synchrotron X-ray diffraction (SXRD) and X-ray absorption near edge structure measurements in corroboration with magnetism are presented. Phase diagram obtained from Rietveld Refinement on SXRD data as a function of Mn concentration indicates doping disproportionate mixing of both monoclinic (C2/c) and rhombohedral (R 3{sup }) structure for x?Mn-O) bond lengths for x???0.5. Co and Mn K-edge XANES spectra reveal that both Co and Mn are in mixed oxidation state, Co{sup 2+}/Mn{sup 2+} and Co{sup 3+}/Mn{sup 3+}. Relative ratios of Co{sup 3+}/Co{sup 2+} and Mn{sup 3+}/Mn{sup 2+} obtained using Linear combination fit decrease with increasing x (for x???0.5). These structural and spectroscopic evidences are used to provide possible interpretation of the observed paramagnetic to ferromagnetic transition at around 185?K followed by an enhanced antiferromagnetic transition ?45?K for x?=?0.5.

  11. Magnetic Response of Mn(III)F(salen) at Low Temperatures

    SciTech Connect (OSTI)

    Park, J. - H.; Risset, O. N.; Shiddiq, M.; Peprah, M. K.; Knowles, E. S.; Andrus, Matthew; Beedle, C. C.; Ehlers, Georg; Podlesnyak, Andrey A; Cizmar, E.; Nagler, Stephen E; Hill, S.; Talham, Daniel R.; Meisel, Mark W.

    2014-01-01

    The low temperature magnetic response of Mn(III)F(salen), salen = H14C16N2O2, an S = 2 linear-chain system, has been studied. Using a single crystal with the field applied perpendicular to the chain direction, torque magnetometry, down to 20 mK and up to 18 T, revealed a feature at 3.8 T when T 400 mK. ESR ( 200 GHz) studies, using single crystals at 4 K and in 5 T, have not detected any signal. In 10 mT, the temperature dependence of the susceptibility of powder-like samples can be reasonably fit when J/kB = 50 K and g = 2. In addition, these data are unchanged for P 1.0 GPa. Using a randomly-oriented, powder-like, deuterated (12 of 14 H replaced by D) sample of 2.2 g at 270 mK, neutron scattering data, acquired with the Cold Neutron Chopper Spectrometer at the Spallation Neutron Source, show several well defined excitations that may be from the zero-field energy levels of antiferromagnetic S = 2 spins with g = 2, J/kB = 50 K, D/kB = 2.8 K, and E/kB = 0.5 K.

  12. Pressure dependence of the magnetic ground states in MnP

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Matsuda, Masaaki; Ye, Feng; Dissanayake, Sachith E.; Cheng, J. -G.; Chi, Songxue; Ma, Jie; Zhou, H. D.; Yan, Jia -Qiang; Kasamatsu, S.; Sugino, O.; et al

    2016-03-17

    MnP, a superconductor under pressure, exhibits a ferromagnetic order below TC~290 K followed by a helical order with the spins lying in the ab plane and the helical rotation propagating along the c axis below Ts~50 K at ambient pressure. We performed single-crystal neutron diffraction experiments to determine the magnetic ground states under pressure. Both TC and Ts are gradually suppressed with increasing pressure and the helical order disappears at ~1.2 GPa. At intermediate pressures of 1.8 and 2.0 GPa, the ferromagnetic order first develops and changes to a conical or two-phase (ferromagnetic and helical) structure with the propagation alongmore » the b axis below a characteristic temperature. At 3.8 GPa, a helical magnetic order appears below 208 K, which hosts the spins in the ac plane and the propagation along the b axis. The period of this b axis modulation is shorter than that at 1.8 GPa. Here, our results indicate that the magnetic phase in the vicinity of the superconducting phase may have a helical magnetic correlation along the b axis.« less

  13. Stress induced anisotropy in CoFeMn soft magnetic nanocomposites

    SciTech Connect (OSTI)

    Leary, A. M. Keylin, V.; McHenry, M. E.; Ohodnicki, P. R.

    2015-05-07

    The use of processing techniques to create magnetic anisotropy in soft magnetic materials is a well-known method to control permeability and losses. In nanocomposite materials, field annealing below the Curie temperature results in uniaxial anisotropy energies up to ?2?kJ/m{sup 3}. Higher anisotropies up to ?10?kJ/m{sup 3} result after annealing Fe-Si compositions under stress due to residual stress in the amorphous matrix acting on body centered cubic crystals. This work describes near zero magnetostriction Co{sub 80?x?y}Fe{sub x}Mn{sub y}Nb{sub 4}B{sub 14}Si{sub 2} soft magnetic nanocomposites, where x and y?

  14. Phase diagram and magnetocaloric effects in Ni{sub 50}Mn{sub 35}(In{sub 1?x}Cr{sub x}){sub 15} and (Mn{sub 1?x}Cr{sub x})NiGe{sub 1.05} alloys

    SciTech Connect (OSTI)

    Quetz, Abdiel Muchharla, Baleeswaraiah; Dubenko, Igor; Talapatra, Saikat; Ali, Naushad; Samanta, Tapas; Stadler, Shane

    2014-05-07

    The magnetocaloric and thermomagnetic properties of Ni{sub 50}Mn{sub 35}(In{sub 1?x}Cr{sub x}){sub 15} and (Mn{sub 1?x}Cr{sub x}) NiGe{sub 1.05} systems for 0???x???0.105 and 0???x???0.1, respectively, have been studied by x-ray diffraction, differential scanning calorimetry, and magnetization measurements. Partial substitution of Cr for Mn in (Mn{sub 1?x}Cr{sub x})NiGe{sub 1.05} results in a first order magnetostructural transition from a hexagonal paramagnetic to an orthorhombic paramagnetic phase near T{sub M}???380?K (for x?=?0.07). Partial substitution of Cr for In in Ni{sub 50}Mn{sub 35}(In{sub 1?x}Cr{sub x}){sub 15} shifts the magnetostructural transition to a higher temperature (T?=?T{sub M}???450?K) for x?=?0.1. Large magnetic entropy changes of ?S?=??12 (J/(kgK)) and ?S?=??11 (J/(kgK)), both for a magnetic field change of 5?T, were observed in the vicinity of T{sub M} for (Mn{sub 1?x}Cr{sub x})NiGe{sub 1.05} and Ni{sub 50}Mn{sub 35}(In{sub 1?x}Cr{sub x}){sub 15}, respectively.

  15. Redox Exchange Induced MnO2 Nanoparticle Enrichment in Poly(3,4-ethylenedioxythiophene) Nanowires for Electrochemical Energy Storage

    SciTech Connect (OSTI)

    Liu, R.; Duay, Jonathon; Lee, Sang Bok

    2010-06-30

    MnO2 nanoparticle enriched poly(3,4-ethylenedioxythiophene) (PEDOT) nanowires are fabricated by simply soaking the PEDOT nanowires in potassium permanganate (KMnO4) solution. The structures of these MnO2 nanoparticle enriched PEDOT nanowires are characterized by SEM and TEM, which show that the MnO2 nanoparticles have uniform sizes and are finely dispersed in the PEDOT matrix. The chemical constituents and bonding of these composite nanowires are characterized by energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy, and infrared spectroscopy, which indicate that the formation and dispersion of these MnO2 nanoparticles into the nanoscale pores of the PEDOT nanowires are most likely triggered by the reduction of KMnO4 via the redox exchange of permanganate ions with the functional group on PEDOT. Varying the concentrations of KMnO4 and the reaction time controls the loading amount and size of the MnO2 nanoparticles. Cyclic voltammetry and galvanostatic charge-discharge are used to characterize the electrochemical properties of these MnO2 nanoparticle loaded PEDOT nanowires. Due to their extremely high exposed surface area with nanosizes, the pristine MnO2 nanoparticles in these MnO2 nanoparticle enriched PEDOT nanowires show very high specific capacitance (410 F/g) as the supercapacitor electrode materials as well as high Li+ storage capacity (300 mAh/g) as cathode materials of Li ion battery, which boost the energy storage capacity of PEDOT nanowires to 4 times without causing excessive volume expansion in the polymer. The highly conductive and porous PEDOT matrix facilitates fast charge/discharge of the MnO2 nanoparticles and prevents them from agglomerating. These synergic properties enable the MnO2 nanoparticle enriched PEDOT nanowires to be promising electrode materials for supercapacitors and lithium ion batteries.

  16. Insight into the Atomic Structure of High-Voltage Spinel LiNi0.5Mn1.5O4 Cathode Material in the First Cycle

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Huang, Xuejie; Yu, Xiqian; Lin, Mingxiang; Ben, Liubin; Sun, Yang; Wang, Hao; Yang, Zhenzhong; Gu, Lin; Yang, Xiao -Qing; Zhao, Haofei; et al

    2014-12-22

    Application of high-voltage spinel LiNi0.5Mn1.5O4 cathode material is the closest and the most realistic approach to meeting the midterm goal of lithium-ion batteries for electric vehicles (EVs) and plug-in hybrid electric vehicles (HEVs). However, this application has been hampered by long-standing issues, such as capacity degradation and poor first-cycle Coulombic efficiency of LiNi0.5Mn1.5O4 cathode material. Although it is well-known that the structure of LiNi0.5Mn1.5O4 into which Li ions are reversibly intercalated plays a critical role in the above issues, performance degradation related to structural changes, particularly in the first cycle, are not fully understood. Here, we report detailed investigations ofmore » local atomic-level and average structure of LiNi0.5Mn1.5O4 during first cycle (3.5–4.9 V) at room temperature. We observed two types of local atomic-level migration of transition metals (TM) ions in the cathode of a well-prepared LiNi0.5Mn1.5O4//Li half-cell during first charge via an aberration-corrected scanning transmission electron microscopy (STEM). Surface regions (~2 nm) of the cycled LiNi0.5Mn1.5O4 particles show migration of TM ions into tetrahedral Li sites to form a Mn3O4-like structure. However, subsurface regions of the cycled particles exhibit migration of TM ions into empty octahedral sites to form a rocksalt-like structure. The migration of these TM ions are closely related to dissolution of Ni/Mn ions and building-up of charge transfer impedance, which contribute significantly to the capacity degradation and the poor first-cycle Coulombic efficiency of spinel LiNi0.5Mn1.5O4 cathode material. Accordingly, we provide suggestions of effective stabilization of LiNi0.5Mn1.5O4 structure to obtain better electrochemical performance.« less

  17. Combined effects of Bi deficiency and Mn substitution on the structural transformation and functionality of BiFeO{sub 3} films

    SciTech Connect (OSTI)

    Chen, Jingyi; Wang, Yao Deng, Yuan

    2014-11-07

    Mn-doped BiFeO{sub 3} films with Mn contents of 5 and 10 mol. % were prepared via a chemical route. A carefully controlled amount of Bi deficiency was introduced to further tune the lattice structure and the functionality of multiferroic BiFeO{sub 3}. The crystal structure of Bi{sub 1−δ}Fe{sub 1−x}Mn{sub x}O{sub 3} films was investigated by X-ray diffraction and Raman spectra; a rhombohedral-to-orthorhombic phase transition was revealed. The observed double hysteresis loops and two capacitance maxima from polarization vs electric field and capacitance-voltage measurements indicate an antiferroelectric-like behavior. Additionally, the coexistence of ferroelectric (FE) and antiferroelectric (AFE) phases in Bi{sub 1−δ}Fe{sub 1−x}Mn{sub x}O{sub 3} films was revealed from the domain structures obtained by piezoelectric force microscopy. The effects of Mn substitution in conjunction with Bi deficiency on the FE-AFE phase transition and electrical behavior of BiFeO{sub 3} films are discussed in detail. Meanwhile, magnetic and photoluminescence measurements on the films illustrate that Mn substitution gives rise to the net magnetic moment and the defects induced by both Bi deficiency and Mn substitution influence the electronic structure of BiFeO{sub 3} films. This study thus shows a simple and effective way to control the functionalities of BiFeO{sub 3} films.

  18. Benchmarking the New RESRAD-OFFSITE Source Term Model with DUST-MS and GoldSim - 13377

    SciTech Connect (OSTI)

    Cheng, J.J.; Kamboj, S.; Gnanapragasam, E.; Yu, C.

    2013-07-01

    RESRAD-OFFSITE is a computer code developed by Argonne National Laboratory under the sponsorship of U.S. Department of Energy (DOE) and U.S. Nuclear Regulatory Commission (NRC). It is designed on the basis of RESRAD (onsite) code, a computer code designated by DOE and NRC for evaluating soil-contaminated sites for compliance with human health protection requirements pertaining to license termination or environmental remediation. RESRAD-OFFSITE has enhanced capabilities of modeling radionuclide transport to offsite locations and calculating potential radiation exposure to offsite receptors. Recently, a new source term model was incorporated into RESRAD-OFFSITE to enhance its capability further. This new source term model allows simulation of radionuclide releases from different waste forms, in addition to the soil sources originally considered in RESRAD (onsite) and RESRAD-OFFSITE codes. With this new source term model, a variety of applications can be achieved by using RESRAD-OFFSITE, including but not limited to, assessing the performance of radioactive waste disposal facilities. This paper presents the comparison of radionuclide release rates calculated by the new source term model of RESRAD-OFFSITE versus those calculated by DUST-MS and GoldSim, respectively. The focus of comparison is on the release rates of radionuclides from the bottom of the contaminated zone that was assumed to contain radioactive source materials buried in soil. The transport of released contaminants outside of the primary contaminated zone is beyond the scope of this paper. Overall, the agreement between the RESRAD-OFFSITE results and the DUST-MS and GoldSim results is fairly good, with all three codes predicting identical or similar radionuclide release profiles over time. Numerical dispersion in the DUST-MS and GoldSim results was identified as potentially contributing to the disagreement in the release rates. In general, greater discrepancy in the release rates was found for short-lived, fast-moving radionuclides than for long-lived, slow-moving radionuclides. (authors)

  19. A WSRC-MS-g8-00318 Heat Transfer Model of Above and Underground Insulated Piping

    Office of Scientific and Technical Information (OSTI)

    WSRC-MS-g8-00318 Heat Transfer Model of Above and Underground Insulated Piping Systems by K. C. Kwon Westinghouse Savannah River Company Savannah River Site Aiken, South Carolina 29808 A document prepared for ASME CONFERENCE - HEAT EXCHANGER COMMITTEE MEETING 8 , INTERNATIONAL JOINT POWER GENERATION CONFERENCE 1998 at Baltimore, MA, USA from 8/23/98 - 8/26/98. DOE Contract No. DE-AC09-96SR18500 This paper was prepared in connection with work done under the above contract number with the U. S.

  20. Effect of Mn doping on structural and magnetic susceptibility of C-type rare earth nano oxides Er{sub 2?x}Mn{sub x}O{sub 3}

    SciTech Connect (OSTI)

    Heiba, Zein K.; Taif University, Faculty of Science, Physics Department ; Mohamed, Mohamed Bakr; Fuess, H.

    2012-12-15

    Graphical abstract: Display Omitted Highlights: ? Er{sub 2?x}Mn{sub x}O{sub 3} (0.0 ? x ? 0.20) prepared by solgel method. ? The change in lattice parameter is not linear with x due to the change in crystallite size with doping. ? Anomalous concentration dependence is found in magnetic susceptibility. ? The effective magnetic moment ?{sub eff} is found to decrease with composition parameter x. ? Superexchange interactions between Er ions depending on the amount of Mn or Er in different sites. -- Abstract: The manganese doped rare earth oxides Er{sub 2?x}Mn{sub x} O{sub 3} (0.0 ? x ? 0.20) were synthesized by a solgel process and analyzed by X-ray diffraction using Rietveld refinement methods. A single phase solid solution is formed up to x = 0.15 while for x ? 0.2 a manganese oxide phase appears in the diffraction pattern. Preferential cationic distribution between the non-equivalent sites 8b and 24d of space group Ia3{sup } is found for all samples but to a different extent. The octahedral volume and average bond length of Er{sub 1}-O for 8b site decrease while both octahedral volume and bond length of Er{sub 2}-O for 24d site increase. Magnetization measurements were done in the temperature range 5300 K. The effective magnetic moment ?{sub eff} is found to decrease with composition parameter x, except for sample x = 0.05 where the magnetization is enhanced. The Curie-Weiss paramagnetic temperatures indicate antiferromagnetic interaction.

  1. NREL: Energy Analysis - Pieter Gagnon

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    M.S in mechanical engineering, University of Minnesota, Minneapolis, MN, 2015 B.A. in mechanical engineering, University of Minnesota, Minneapolis, MN, 2013 Prior work experience ...

  2. Category:Utility Rate Impacts on PV Economics By Location | Open...

    Open Energy Info (EERE)

    MI Traverse City, MI International Falls, MN Minneapolis, MN Kansas City, MO Jackson, MS Billings, MT Greensboro, NC Wilmington, NC Bismarck, ND Minot, ND Omaha, NE...

  3. Crystal chemical modeling of the Li ion distribution in Li{sub x}Mn{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Rohrer, C.L.; Rohrer, G.S.

    1996-12-31

    The Monte Carlo bond valence method was used to model the local atomic structure of Li{sub x}Mn{sub 2}O{sub 4} (x = 0.25 and x = 1.0). The results predict that Mn{sup +3} and Mn{sup +4} are randomly distributed at the octahedral positions and that the Mn{sup +3}-O bond distance is 2.02 {Angstrom} while the Mn{sup +4}-O distance is 1.91 {Angstrom}. As the Li content decreases, the cell contracts due to the higher concentration of shorter bonds. Based on maps that show the distribution of crystal chemically equivalent sites, we conclude that the Li ion diffusion paths go through 48f sites, that Li might be more mobile for the case of x = 1.0 than for x = 0.25 (due to the expanded cell volume), and that for x > 1, the 16c position is the most likely Li site.

  4. Preparation of magnetic photocatalyst nanoparticlesTiO{sub 2}/SiO{sub 2}/MnZn ferriteand its photocatalytic activity influenced by silica interlayer

    SciTech Connect (OSTI)

    Laohhasurayotin, Kritapas; Pookboonmee, Sudarat; Viboonratanasri, Duangkamon; Kangwansupamonkon, Wiyong

    2012-06-15

    Highlights: ? TiO{sub 2}/SiO{sub 2}/MnZn ferrite acts as magnetic photocatalyst nanoparticle. ? SiO{sub 2} interlayer is used to prevent electron migration between photocatalyst and magnetic core. ? TiO{sub 2}/MnZn ferrite without SiO{sub 2} interlayer shows poor magnetic and photocatalytic property. -- Abstract: A magnetic photocatalyst, TiO{sub 2}/SiO{sub 2}/MnZn ferrite, was prepared by stepwise synthesis involving the co-precipitation of MnZn ferrite as a magnetic core, followed by a coating of silica as the interlayer, and titania as the top layer. The particle size and distribution of magnetic nanoparticles were found to depend on the addition rate of reagent and dispersing rate of reaction. The X-ray diffractometer and transmission electron microscope were used to examine the crystal structures and the morphologies of the prepared composites. Vibrating sample magnetometer was also used to reveal their superparamagnetic property. The UVVis spectrophotometer was employed to monitor the decomposition of methylene blue in the photocatalytic efficient study. It was found that at least a minimum thickness of the silica interlayer around 20 nm was necessary for the inhibition of electron transference initiated by TiO{sub 2} and MnZn ferrite.

  5. Electronic structures and magnetic stabilities of 2D Mn-doped GaAs nanosheets: The role of long-range exchange interactions and doping strategies

    SciTech Connect (OSTI)

    Lan, Mu; Xiang, Gang Zhang, Xi

    2014-08-28

    We investigate the structural, electronic and magnetic properties of Mn atoms doped two-dimensional (2D) hexagonal GaAs nanosheets (GaAsNSs) using both first-principle calculations and Monte Carlo simulations. The first-principle molecular dynamics is first used to test the structural stability of Mn-doped GaAsNS ((Ga,Mn)AsNS). The analysis of spin-resolved electronic structures and determination of magnetic exchange interactions based on density functional theory (DFT) calculations reveals the existence of long-range exchange interaction in the system. Finally, Metropolis Monte Carlo simulation is employed to estimate Curie temperatures (T{sub C}s) of (Ga,Mn)AsNSs with different doping concentrations by different doping strategies. The results indicate that a T{sub C} up to 82 K can be obtained in regularly-doped (Ga,Mn)AsNSs and doping strategies have prominent impact on T{sub C}s of the systems, which emphasizes the importance of both long-range interactions and doping strategies in reduced dimensional diluted magnetic semiconductors (DMSs)

  6. Influence of Mn concentration on magnetic topological insulator MnxBi2−xTe3 thin-film Hall-effect sensor

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ni, Y.; Zhang, Z.; Nlebedim, I. C.; Hadimani, R. L.; Jiles, D. C.

    2015-06-11

    Hall-effect (HE) sensors based on high-quality Mn-doped Bi2Te3 topological insulator (TI) thin films have been systematically studied in this paper. Improvement of Hall sensitivity is found after doping the magnetic element Mn into Bi2Te3. The sensors with low Mn concentrations, MnxBi2-xTe3, x = 0.01 and 0.08 show the linear behavior of Hall resistance with sensitivity about 5 Ω/T. And their Hall sensitivity shows weak dependence on temperature. For sensors with high Mn concentration (x = 0.23), the Hall resistance with respect to magnetic field shows a hysteretic behavior. Moreover, its sensitivity shows almost eight times as high as that ofmore »the HE sensors with low Mn concentration. The highest sensitivity can reach 43 Ω/T at very low magnetic field. This increase of Hall sensitivity is caused by the occurrence of anomalous HE (AHE) after ferromagnetic phase transition. Our work indicates that the magnetic-element-doped TIs with AHE are good candidates for HE sensors.« less

  7. Influence of Mn concentration on magnetic topological insulator MnxBi2−xTe3 thin-film Hall-effect sensor

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ni, Y.; Zhang, Z.; Nlebedim, I. C.; Hadimani, R. L.; Jiles, D. C.

    2015-06-11

    Hall-effect (HE) sensors based on high-quality Mn-doped Bi2Te3 topological insulator (TI) thin films have been systematically studied in this paper. Improvement of Hall sensitivity is found after doping the magnetic element Mn into Bi2Te3. The sensors with low Mn concentrations, MnxBi2-xTe3, x = 0.01 and 0.08 show the linear behavior of Hall resistance with sensitivity about 5 Ω/T. And their Hall sensitivity shows weak dependence on temperature. For sensors with high Mn concentration (x = 0.23), the Hall resistance with respect to magnetic field shows a hysteretic behavior. Moreover, its sensitivity shows almost eight times as high as that ofmore » the HE sensors with low Mn concentration. The highest sensitivity can reach 43 Ω/T at very low magnetic field. This increase of Hall sensitivity is caused by the occurrence of anomalous HE (AHE) after ferromagnetic phase transition. Our work indicates that the magnetic-element-doped TIs with AHE are good candidates for HE sensors.« less

  8. Structural phase transition and magnetism in hexagonal SrMnO{sub 3} by magnetization measurements and by electron, x-ray, and neutron diffraction studies

    SciTech Connect (OSTI)

    Daoud-Aladine, A.; Chapon, L. C.; Knight, K. S.; Martin, C.; Hervieu, M.; Brunelli, M.; Radaelli, P. G.

    2007-03-01

    The structural and magnetic properties of the hexagonal four-layer form of SrMnO{sub 3} have been investigated by combining magnetization measurements, electron diffraction, and high-resolution synchrotron x-ray and neutron powder diffraction. Below 350 K, there is subtle structural phase transition from hexagonal symmetry (space group P6{sub 3}/mmc) to orthorhombic symmetry (space group C222{sub 1}) where the hexagonal metric is preserved. The second-order phase transition involves a slight tilting of the corner-sharing Mn{sub 2}O{sub 9} units composed of two face-sharing MnO{sub 6} octahedra and the associated displacement of Sr{sup 2+} cations. The phase transition is described in terms of symmetry-adapted displacement modes of the high symmetry phase. Upon further cooling, long range magnetic order with propagation vector k=(0,0,0) sets in below 300 K. The antiferromagnetic structure, analyzed using representation theory, shows a considerably reduced magnetic moment indicating the crucial role played by direct exchange between Mn centers of the Mn{sub 2}O{sub 9} units.

  9. NanoLC-FT-ICR MS improves proteome coverage attainable for ~3000 laser microdissected breast carcinoma cells

    SciTech Connect (OSTI)

    Umar, Arzu; Luider, Theo N.; Foekens, J. A.; Pasa-Tolic, Liljiana

    2007-01-29

    Genomics and proteomics assays hold great promise for unrevealing molecular events that underlie human disease. Essential to this quest is the ability to effectively analyze clinical samples, but this task is considerably complicated by tissue heterogeneity. Laser capture microdissection (LCM) can be used to selectively isolate targeted cell populations (such as tumor cells) from their native tissue environment. However, the small number of cells that are typically procured by LCM severely limits the proteome coverage and biomarker discovery potential achievable by conventional proteomics platforms. Herein, we report on the use of a nano liquid chromatography-Fourier transform ion clyclotron resonance mass spectrometry (nLC-FTICR MS) platform for analyzing protein digests of approximately 3,000 LCM-derived tumor cells from breast carcinoma tissue, which corresponds to approximately 300 ng of total protein. A total of 2,836 peptides were identified by matching LC-MS data to accurate mass and time (AMT) tag databases that were previously established for the human mammary epithelium and several breast cancer cell lines. The peptide identifications correspond to 1,139 unique proteins confidently identified with 2 or more peptides. Based on categorization by Gene Ontology, identified proteins appear to cover a wide variety of biological functions and cellular compartments. This work demonstrates that a substantial number of proteins can be identified from a limited number of cells using the AMT tag approach and opens a door for high throughput in-depth proteomics analysis of clinical samples.

  10. Effect of Heat-Treatment on the Phases of Ni-Mn-Ga Magnetic Shape Memory Alloys

    SciTech Connect (OSTI)

    Huq, Ashfia; Ari-Gur, Pnina; Kimmel, Giora; Richardson, James W; Sharma, Kapil

    2009-01-01

    The Heusler alloys Ni50Mn25+xGa25-x display magnetic shape memory effect (MSM) with very fast and large reversible strain under magnetic fields. This large strain and the speed of reaction make MSM alloys attractive as smart materials. Our crystallographic investigation of these alloys, focused on non-stoichiometric composition with excess of manganese. Using neutron diffraction, we revealed the necessary processing parameters to achieve and preserve the homogeneous metastable one-phase martensitic structure that is needed for an MSM effect at room temperature.

  11. Energy harvesting using martensite variant reorientation mechanism in a NiMnGa magnetic shape memory alloy

    SciTech Connect (OSTI)

    Karaman, I.; Basaran, B.; Karaca, H. E.; Karsilayan, A. I.; Chumlyakov, Y. I.

    2007-04-23

    Magnetic shape memory alloys demonstrate significant potential for harvesting waste mechanical energy utilizing the Villari effect. In this study, a few milliwatts of power output are achieved taking advantage of martensite variant reorientation mechanism in Ni{sub 51.1}Mn{sub 24}Ga{sub 24.9} single crystals under slowly fluctuating loads (10 Hz) without optimization in the power conversion unit. Effects of applied strain range, bias magnetic field, and loading frequency on the voltage output are revealed. Anticipated power outputs under moderate frequencies are predicted showing that the power outputs higher than 1 W are feasible.

  12. Temperature dependence of spin-orbit torque effective fields in the diluted magnetic semiconductor (Ga,Mn)As

    SciTech Connect (OSTI)

    Howells, B.; Edmonds, K. W.; Campion, R. P.; Gallagher, B. L.

    2014-07-07

    We report on a study of the temperature-dependence of current-induced effective magnetic fields due to spin-orbit interactions in the diluted ferromagnetic semiconductor (Ga,Mn)As. Contributions from the effective fields as well as from the anomalous Nernst effect are evident in the difference between transverse resistance measurements as a function of an external magnetic field for opposite orientations of the applied current. We separately extract these contributions by fitting to a model of coherently rotating magnetization. The component of the effective field with Dresselhaus symmetry is substantially enhanced with increasing temperature, while no significant temperature-dependence is observed for the component with Rashba symmetry.

  13. A study of the phase transition and magnetocaloric effect in multiferroic La{sub 2}MnNiO{sub 6} single crystals

    SciTech Connect (OSTI)

    Balli, M. Jandl, S.; Fournier, P.; Gospodinov, M. M.

    2014-05-07

    Magnetic and magnetocaloric properties of single crystal double perovskite La{sub 2}MnNiO{sub 6} have been investigated in details. Its ordered phase with a high Curie temperature (T{sub C} = 280 K) exhibits a significant refrigerant capacity around room temperature. A model based on the mean field theory approximation has been used in order to quantify the magnetic and magnetocaloric properties in the ordered La{sub 2}MnNiO{sub 6}. The magnetization and entropy changes were satisfactorily simulated as a function of temperature and magnetic field. On the other hand, the presence of cationic disorder in La{sub 2}MnNiO{sub 6} phases allows to shift the Curie point to low temperature without a significant change in the magnetocaloric performance.

  14. Electrochemical performance of polyaniline coated LiMn{sub 2}O{sub 4} cathode active material for lithium ion batteries

    SciTech Connect (OSTI)

    ?ahan, Halil Dokan, Fatma K?l?c Ayd?n, Abdlhamit zdemir, Burcu zdemir, Nazl? Patat, ?aban

    2013-12-16

    LiMn{sub 2}O{sub 4} compound are synthesized by combustion method using glycine as a fuel at temperature (T), 800C which was coated by a polyaniline. The goal of this procedure is to promote better electronic conductivity of the LiMn{sub 2}O{sub 4} particles in order to improve their electrochemical performance for their application as cathodes in secondary lithium ion batteries. The structures of prepared products have been investigated by X-ray diffraction (XRD) and scanning electron microscopy (SEM). To investigate the effect of polyaniline coating galvanostatic charge-discharge cycling (148 mA g{sup ?1}) studies are made in the voltage range of 3.5-4.5 V vs. Li at room temperature. Electrochemical performance of the LiMn{sub 2}O{sub 4} was significantly improved by the polaniline coating.

  15. Self-assembly of compositionally modulated Ga{sub 1−x}Mn{sub x}As multilayers during molecular beam epitaxy

    SciTech Connect (OSTI)

    Gallardo-Hernández, S.; Martinez-Velis, I.; Ramirez-Lopez, M.; Lopez-Lopez, M.; Kudriatsev, Y.; Escobosa-Echavarria, A.; Luiz Morelhao, S.

    2013-11-04

    GaMnAs structures were grown on GaAs(100) substrates by molecular beam epitaxy employing different growth parameters. We studied manganese incorporation employing secondary ion mass spectrometry (SIMS). At a growth temperature of 300 °C, we observed a self-assembled modulation of the manganese concentration. SIMS depth profiles were analyzed employing a depth resolution function taking into account sputtering-induced broadening of the original distribution and segregation. We found a Mn segregation length along the growth direction of ∼4 nm. The presence of GaMnAs multilayers was corroborated by high-resolution x-ray diffraction. Spinodal decomposition is a possible mechanism for the spontaneous formation of the multilayer structure.

  16. Synthesis of Mn-intercalated layered titanate by exfoliation-flocculation approach and its efficient photocatalytic activity under visible-light

    SciTech Connect (OSTI)

    Fu, Jie; Tian, Yanlong; Chang, Binbin; Li, Gengnan; Xi, Fengna; Dong, Xiaoping

    2012-12-15

    A novel Mn-intercalated layered titanate as highly active photocatalyst in visible-light region has been synthesized via a convenient and efficient exfoliation-flocculation approach with divalent Mn ions and monolayer titanate nanosheets. The 0.91 nm interlayer spacing of obtained photocatalyst is in accordance with the sum of the thickness of titanate nanosheet and the diameter of Mn ions. The yellow photocatalyst shows a spectral response in visible-light region and the calculated band gap is 2.59 eV. The photocatalytic performance of this material was evaluated by degradation and mineralization of an aqueous dye methylene blue under visible-light irradiation, and an enhanced photocatalytic activity in comparison with protonated titanate as well as the P25 TiO{sub 2} and N-doped TiO{sub 2} was obtained. Additionally, the layered structure is retained, no dye ions intercalating occurs during the photocatalysis process, and a {approx}90% photocatalytic activity can be remained after reusing 3 cycles. - Graphical abstract: Mn-intercalated layered titanate as a novel and efficient visible-light harvesting photocatalyst was synthesized via a convenient and efficient exfoliation-flocculation approach in a mild condition. Highlights: Black-Right-Pointing-Pointer Mn-intercalated titanate has been prepared by exfoliation-flocculation approach. Black-Right-Pointing-Pointer The as-prepared catalyst shows spectral response in the visible-light region. Black-Right-Pointing-Pointer Heat treatment at certain temperature enables formation of Mn-doped TiO{sub 2}. Black-Right-Pointing-Pointer Dye can be degradated effectively by the catalyst under visible light irradiation.

  17. Nano-twin Mediated Plasticity in Carbon-containing FeNiCoCrMn High Entropy Alloys

    SciTech Connect (OSTI)

    Wu, Zhenggang; Bei, Hongbin; Parish, Chad M

    2015-06-14

    Equiatomic FeNiCoCrMn alloy has been reported to exhibit promising strength and ductility at cryogenic temperature and deformation mediated by nano-twining appeared to be one of the main reasons. We use the FeNiCoCrMn alloy as a base alloy to seek further improvement of its mechanical properties by alloying additional elements, i.e., interstitial carbon. Moreover, the effects of carbon on microstructures, mechanical properties and twinning activities were investigated in two different temperatures (77 and 293 K). With addition of 0.5 at% C, the high entropy alloy still remains entirely single phase face-centered cubic (FCC) crystal structure. We found that these materials can be cold rolled and recrystallized to produce a microstructure with equiaxed grains. Both strain hardening rate and strength are enhanced while high uniform elongations to fracture (~70% at 77 K and ~40% at 293 K) are still maintained. The increased strain hardening and strength could be caused by the promptness of deformation twinning in C-containing high entropy alloys.

  18. Effect of Pt and H{sub 2} on n-butane isomerization over Fe and Mn promoted sulfated zirconia

    SciTech Connect (OSTI)

    Song, Xuemin; Reddy, K.R.; Sayari, A.

    1996-06-01

    The activity of a 0.4 wt% Pt-containing Fe and Mn promoted sulfated zirconia (PtSFMZ) catalyst in n-butane isomerization at 35{degrees}C was compared to that of a Pt-free catalyst (SFMZ). The maximum rate of n-butane conversion observed in helium over PtSFMZ was found to be 2.5 times higher than that over the SFMZ catalyst under the same conditions. It is believed that n-butane isomerization proceeds via a bimolecular mechanism in which the formation of hydrogen-deficient intermediates (carbenium ions and butenes), is necessary and the presence of transition metals such as Pt, Fe, and Mn on sulfated zirconia facilitates the formation/accumulation of these intermediates and increases their stability on the catalyst surface. The presence of H{sub 2} had a strong negative effect on n-butane conversion over PtSFMZ, but had no effect over SFMZ. The negative effect of H{sub 2} on PtSFMZ catalyst in n-butane isomerization reaction was attributed to the decreased concentration of butenes in the presence of hydrogen atoms which are formed by the dissociation of H{sub 2} on Pt. The ability of calcined Pt-containing catalysts to activate hydrogen at 35{degrees}C was demonstrated. Reduced SFMZ with or without Pt was not active at 35{degrees}C regardless of the nature of the carrier gas. 42 refs., 5 figs.

  19. Ferromagnetic response of multiferroic TbMnO{sub 3} films mediated by epitaxial strain and chemical pressure

    SciTech Connect (OSTI)

    Izquierdo, J.; Morn, O.; Astudillo, A.; Bolaos, G.; Arnache, O.

    2014-05-07

    High quality Tb{sub 1?x}Al{sub x}MnO{sub 3} (x?=?0, 0.3) films have been grown under different values of compressive/tensile strain using (001)-oriented SrTiO{sub 3} and MgO substrates. The films were grown by means of rf sputtering at substrate temperature of 800??C. X-ray diffraction analysis shows that films are single phase, preferentially oriented in the (111) and (122) directions for films deposited on SrTiO{sub 3} and MgO substrates, respectively. Although the TbMnO{sub 3} target shows antiferromagnetic order, the films deposited on both substrates show weak ferromagnetic phase at low temperature coexisting with the antiferromagnetic phase. The introduction of Al in the films clearly enhances their ferromagnetic behavior, improving the magnetic performance of this material. Indeed, M(H) measurements at 5?K show a well-defined hysteresis for films grown on both substrates. However, a stronger magnetic signal (larger values of remanence and coercive field) is observed for films deposited on MgO substrates. The chemical pressure generated by Al doping together with the substrate-induced strain seem to modify the subtle competition between magnetic interactions in the system. It is speculated that such modification could lead to a non-collinear magnetic state that may be tuned by strain modifications. This may be performed by varying the thickness of the films and/or considering other substrate materials.

  20. Magnetoresistance effects and spin-valve like behavior of an arrangement of two MnAs nanoclusters

    SciTech Connect (OSTI)

    Fischer, M.; Klar, P. J.; Elm, M. T.; Sakita, S.; Hara, S.

    2015-01-19

    We report on magnetotransport measurements on a MnAs nanocluster arrangement consisting of two elongated single-domain clusters connected by a metal spacer. The arrangement was grown on GaAs(111)B-substrates by selective-area metal organic vapor phase epitaxy. Its structural properties were investigated using scanning-electron microscopy and atomic-force microscopy, while its magnetic domain structure was analyzed by magnetic-force microscopy. The magnetoresistance of the arrangement was investigated at 120 K for two measurement geometries with the magnetic field oriented in the sample plane. For both geometries, discrete jumps of the magnetoresistance of the MnAs nanocluster arrangement were observed. These jumps can be explained by magnetic-field induced switching of the relative orientation of the magnetizations of the two clusters which affects the spin-dependent scattering in the interface region between the clusters. For a magnetic field orientation parallel to the nanoclusters' elongation direction a spin-valve like behavior was observed, showing that ferromagnetic nanoclusters may be suitable building blocks for planar magnetoelectronic devices.

  1. Optical and magneto-optical studies of martensitic transformation in Ni-Mn-Ga magnetic shape memory alloys

    SciTech Connect (OSTI)

    Beran, L.; Cejpek, P.; Kulda, M.; Antos, R.; Holy, V.; Veis, M.; Straka, L.; Heczko, O.

    2015-05-07

    Optical and magneto-optical properties of single crystal of Ni{sub 50.1}Mn{sub 28.4}Ga{sub 21.5} magnetic shape memory alloy during its transformation from martensite to austenite phase were systematically studied. Crystal orientation was approximately along (100) planes of parent cubic austenite. X-ray reciprocal mapping confirmed modulated 10?M martensite phase. Temperature depended measurements of saturation magnetization revealed the martensitic transformation at 335?K during heating. Magneto-optical spectroscopy and spectroscopic ellipsometry were measured in the sample temperature range from 297 to 373?K and photon energy range from 1.2 to 6.5?eV. Magneto-optical spectra of polar Kerr rotation as well as the spectra of ellipsometric parameter ? exhibited significant changes when crossing the transformation temperature. These changes were assigned to different optical properties of Ni-Mn-Ga in martensite and austenite phases due to modification of electronic structure near the Fermi energy during martensitic transformation.

  2. Kondo Effect in 3d-host Ferromagnetic Sm1-xCexMn2Ge2

    SciTech Connect (OSTI)

    Liang,G.; Yao, Q.; Xi, H.; Mochizuki, K.; Markert, J.; Croft, M.

    2006-01-01

    Lattice, Ce L{sub 3}-edge, magnetic susceptibility, and electrical resistivity results on polycrystalline Sm{sub 1-x}Ce{sub x}Mn{sub 2}Ge{sub 2} (0 {<=} x {<=} 1) compound series are presented. The lattice parameters a and c increase almost linearly with the increase of Ce concentration x. The Ce-L{sub 3} X-ray absorption spectra indicate that the Ce in this series is nearly trivalent, and Ce valence decreases slightly with the increase of Ce concentration x. Magnetic susceptibility results indicate that the antiferromagnetic (AF) phase in the re-entrant ferromagnetic compound, SmMn{sub 2}Ge{sub 2}, is completely destroyed by merely 1.1% Ce for Sm substitution. For x > 0.011, only ferromagnetic (FM) phases exist below room temperature. It is found that in these materials Ce Kondo scattering coexists with the 3d-host FM fields and is also effectively weakened by such fields.

  3. Magnetooptical study of CdSe/ZnMnSe semimagnetic quantum-dot ensembles with n-type modulation doping

    SciTech Connect (OSTI)

    Reshina, I. I. Ivanov, S. V.

    2014-12-15

    Magnetic and polarization investigations of the photoluminescence and resonant electron spin-flip Raman scattering in ensembles of self-organized CdSe/ZnMnSe semimagnetic quantum dots with n-type modulation doping are carried out. It is demonstrated that exciton transitions contribute to the photoluminescence band intensity, along with the transitions of trions in the singlet state. In the Hanle-effect measurements, negative circular polarization in zero magnetic field is observed, which is related to the optical orientation of a trion heavy hole. The lifetime and spin-relaxation time of a heavy hole are estimated as ?3 and ?1 ps, respectively. Such short times are assumed to be due to Auger recombination with the excitation of an intrinsic transition in a Mn{sup 2+} ion. Investigations of the photoluminescence-maximum intensity and shift in a longitudinal magnetic field at the ?{sup ?}?{sup +} and ?{sup ?}?{sup ?} polarizations reveal the pronounced spin polarization of electrons. Under resonant excitation conditions, a sharp increase in the photoluminescence-band maximum intensity at ?{sup ?} excitation polarization over the ?{sup +} one is observed. The Raman scattering peak at the electron spin-flip transition is observed upon resonant excitation in a transverse magnetic field in crossed linear polarizations. This peak is shown to be a Brillouin function of a magnetic field.

  4. Itinerant Antiferromagnetism in FeMnP0.8Si0.2

    SciTech Connect (OSTI)

    Sales, Brian C.; Susner, Michael A.; Conner, Benjamin S.; Yan, Jiaqiang Q.; May, Andrew F.

    2015-09-25

    Compounds based on the Fe2P structure have continued to attract interest because of the interplay between itinerant and localized magnetism in a noncentrosymmetric crystal structure, and because of the recent developments of these materials for magnetocaloric applications. We report the growth and characterization of millimeter-sized single crystals of FeMnP0.8Si0.2 with the Fe2P structure. Single-crystal x-ray diffraction, magnetization, resistivity, and Hall and heat capacity data are reported. The crystals exhibit itinerant antiferromagnetic order below 158 K with no hint of ferromagnetic behavior in the magnetization curves and with the spins ordered primarily in the ab plane. The room-temperature resistivity is close to the Ioffe-Regel limit for a metal. Single-crystal x-ray diffraction indicates a strong preference for Mn to occupy the larger pyramidal 3g site. The cation site preference in the as-grown crystals and the antiferromagnetism were not changed after high-temperature anneals and a rapid quench to room temperature

  5. Design of Semiconducting Tetrahedral Mn 1 ₋ x Zn x O Alloys and Their Application to Solar Water Splitting

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Peng, Haowei; Ndione, Paul F.; Ginley, David S.; Zakutayev, Andriy; Lany, Stephan

    2015-05-18

    Transition metal oxides play important roles as contact and electrode materials, but their use as active layers in solar energy conversion requires achieving semiconducting properties akin to those of conventional semiconductors like Si or GaAs. In particular, efficient bipolar carrier transport is a challenge in these materials. Based on the prediction that a tetrahedral polymorph of MnO should have such desirable semiconducting properties, and the possibility to overcome thermodynamic solubility limits by nonequilibrium thin-film growth, we exploit both structure-property and composition-structure relationships to design and realize novel wurtzite-structure Mn₁₋xZnxO alloys. At Zn compositions above x ≈ 0.3, thin films ofmore » these alloys assume the tetrahedral wurtzite structure instead of the octahedral rocksalt structure of MnO, thereby enabling semiconductor properties that are unique among transition metal oxides, i.e., a band gap within the visible spectrum, a band-transport mechanism for both electron and hole carriers, electron doping, and a band lineup suitable for solar hydrogen generation. A proof of principle is provided by initial photo-electrocatalytic device measurements, corroborating, in particular, the predicted favorable hole-transport properties of these alloys.« less

  6. Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Benjamin A. Frandsen; Brunelli, Michela; Page, Katharine; Uemura, Yasutomo J.; Staunton, Julie B.; Billinge, Simon J. L.

    2016-05-11

    Here, we present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominatedmore » by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. Furthermore, the Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.« less

  7. Spin and orbital Ti magnetism at LaMnO3/SrTiO3 interfaces

    SciTech Connect (OSTI)

    Garcial-Barriocanal, J; Cezar, J. C.; Bruno, F. Y.; Thakur, P.; Brookes, N. B.; Utfeld, C.; Riviera-Calzada, A.; Giblin, S. R.; Taylor, J. W.; Duffy, J. A.; Dugdale, S. B.; Nakamura, T.; Kodama, K.; Leon, C.; Okamoto, Satoshi; Santamaria, J.

    2010-01-01

    In systems with strong electron-lattice coupling, such as manganites, orbital degeneracy is lifted, what causes a null expectation value of the orbital moment. Magnetic structure is thus determined by spin-spin superexchange. In titanates, however, with much smaller Jahn-Teller distortions, orbital degeneracy might allow non-zero values of the orbital magnetic moment. Accordingly, novel forms of ferromagnetic superexchange interaction unique to t2g electrons systems have been theoretically predicted, although their experimental observation has remained elusive. Here we report a new kind of Ti3+ ferromagnetism at LaMnO3/SrTiO3 epitaxial interfaces. It results from charge transfer to the empty conduction band of the titanate and has spin and orbital contributions evidencing the role played by orbital degeneracy. The possibility of tuning magnetic alignment (ferromagnetic or antiferromagnetic) of Ti and Mn moments by structural parameters is demonstrated. This result will provide important clues for the understanding of the effects of orbital degeneracy in superexchange coupling.

  8. Heat capacity of the site-diluted spin dimer system Ba₃(Mn1-xVx)₂O₈

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Samulon, E. C.; Shapiro, M. C.; Fisher, I. R.

    2011-08-05

    Heat-capacity and susceptibility measurements have been performed on the diluted spin dimer compound Ba₃(Mn1-xVx)₂O₈. The parent compound Ba₃Mn₂O₈ is a spin dimer system based on pairs of antiferromagnetically coupled S=1, 3d² Mn⁵⁺ ions such that the zero-field ground state is a product of singlets. Substitution of nonmagnetic S=0, 3d⁰ V⁵⁺ ions leads to an interacting network of unpaired Mn moments, the low-temperature properties of which are explored in the limit of small concentrations 0≤x≤0.05. The zero-field heat capacity of this diluted system reveals a progressive removal of magnetic entropy over an extended range of temperatures, with no evidence for amore » phase transition. The concentration dependence does not conform to expectations for a spin-glass state. Rather, the data suggest a low-temperature random singlet phase, reflecting the hierarchy of exchange energies found in this system.« less

  9. Large magnetic entropy change and magnetoresistance in a Ni41Co9Mn40Sn10 magnetic shape memory alloy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Huang, L.; Cong, D. Y.; Ma, L.; Nie, Z. H.; Wang, M. G.; Wang, Z. L.; Suo, H. L.; Ren, Y.; Wang, Y. D.

    2015-07-02

    A polycrystalline Ni41Co9Mn40Sn10 (at. %) magnetic shape memory alloy was prepared by arc melting and characterized mainly by magnetic measurements, in-situ high-energy X-ray diffraction (HEXRD), and mechanical testing. A large magnetoresistance of 53.8% (under 5 T) and a large magnetic entropy change of 31.9 J/(kg K) (under 5 T) were simultaneously achieved. Both of these values are among the highest values reported so far in Ni-Mn-Sn-based Heusler alloys. The large magnetic entropy change, closely related to the structural entropy change, is attributed to the large unit cell volume change across martensitic transformation as revealed by our in-situ HEXRD experiment. Furthermore,more » good compressive properties were also obtained. Lastly, the combination of large magnetoresistance, large magnetic entropy change, and good compressive properties, as well as low cost makes this alloy a promising candidate for multifunctional applications.« less

  10. Nano-twin Mediated Plasticity in Carbon-containing FeNiCoCrMn High Entropy Alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wu, Zhenggang; Bei, Hongbin; Parish, Chad M

    2015-06-14

    Equiatomic FeNiCoCrMn alloy has been reported to exhibit promising strength and ductility at cryogenic temperature and deformation mediated by nano-twining appeared to be one of the main reasons. We use the FeNiCoCrMn alloy as a base alloy to seek further improvement of its mechanical properties by alloying additional elements, i.e., interstitial carbon. Moreover, the effects of carbon on microstructures, mechanical properties and twinning activities were investigated in two different temperatures (77 and 293 K). With addition of 0.5 at% C, the high entropy alloy still remains entirely single phase face-centered cubic (FCC) crystal structure. We found that these materials canmore » be cold rolled and recrystallized to produce a microstructure with equiaxed grains. Both strain hardening rate and strength are enhanced while high uniform elongations to fracture (~70% at 77 K and ~40% at 293 K) are still maintained. The increased strain hardening and strength could be caused by the promptness of deformation twinning in C-containing high entropy alloys.« less

  11. Synthesis and electrochemical performance of high-capacity 0.34Li{sub 2}MnO{sub 3}0.66LiMn{sub 0.63}Ni{sub 0.24}Co{sub 0.13}O{sub 2} cathode materials using a CouetteTaylor reactor

    SciTech Connect (OSTI)

    Choi, Mansoo; Kim, Hyun-Soo; Kim, Jik-Soo; Park, Suk-Joon; Lee, Young Moo; Jin, Bong-Soo

    2014-10-15

    Highlights: The cathode material synthesized by co-precipitation using a CouetteTaylor reactor. The first and second discharge capacities were measured to be 311 and 307 mA h g{sup ?1}. The material has an excellent rate capability. - Abstract: The 0.34Li{sub 2}MnO{sub 3}0.66LiMn{sub 0.63}Ni{sub 0.24}Co{sub 0.13}O{sub 2} cathode material for the Li-ion battery is synthesized by co-precipitation using a CouetteTaylor reactor. Particle size analysis (PSA) and a field emission-scanning electron microscopy (FE-SEM) images show that the obtained precursor and cathode material exhibit a narrow particle size distribution and spherical shape. The structure and composition of the 0.34Li{sub 2}MnO{sub 3}0.66LiMn{sub 0.63}Ni{sub 0.24}Co{sub 0.13}O{sub 2} are confirmed by X-ray diffraction (XRD) and inductively coupled plasma atomic emission spectroscopy (ICP-AES). The first and second discharge capacities of 0.34Li{sub 2}MnO{sub 3}0.66LiMn{sub 0.63}Ni{sub 0.24}Co{sub 0.13}O{sub 2} are measured to be 311 and 307 mA h g{sup ?1}, respectively. The material also has an excellent rate capability (250 and 180 mA h g{sup ?1} at 1 C and 5 C, respectively). In the rate capability test at 60 C, 0.34Li{sub 2}MnO{sub 3}0.66LiMn{sub 0.63}Ni{sub 0.24}Co{sub 0.13}O{sub 2} has a higher capacity of over 210 mA h g{sup ?1} in the range 0.110 C. In the cyclic performance test, the capacity retention at high temperature is over 85% after 50 cycles, which is similar to that at room temperature. The 0.34Li{sub 2}MnO{sub 3}0.66LiMn{sub 0.63}Ni{sub 0.24}Co{sub 0.13}O{sub 2} is therefore a high-capacity material with potential for use as an electrode in Li-ion batteries.

  12. Direct observation of the structural and electronic changes of Li{sub 2}MnO{sub 3} during electron irradiation

    SciTech Connect (OSTI)

    Phillips, Patrick J.; Klie, Robert F. [Department of Physics, University of Illinois at Chicago, Chicago, Illinois 60607 (United States); Iddir, Hakim [Materials Science Division, Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, Illinois 60439 (United States); Abraham, Daniel P. [Argonne National Laboratory, Chemical Sciences and Engineering, 9700 S. Cass Avenue, Argonne, Illinois 60439 (United States)

    2014-09-15

    This study focuses on the effects of electron beam induced irradiation to the layered oxide Li{sub 2}MnO{sub 3}. Aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy are used to characterize structural and electronic transitions in the material during irradiation, with a focus on changes in Mn valence and O content. This truly in situ irradiation allows for specific particle tracking, dose quantification, and real-time observation, while demonstrating many parallels to the oxide's structure evolution observed during electrochemical cycling. Furthermore, it is demonstrated that typical imaging conditions are not severe enough to induce damage to the pristine oxide.

  13. Magnetic hardening of Ce1+xFe11-yCoyTi with ThMn12 structure by melt

    Office of Scientific and Technical Information (OSTI)

    spinning (Journal Article) | SciTech Connect hardening of Ce1+xFe11-yCoyTi with ThMn12 structure by melt spinning Citation Details In-Document Search Title: Magnetic hardening of Ce1+xFe11-yCoyTi with ThMn12 structure by melt spinning A recent study on the intrinsic magnetic properties of CeFe11-yCoyTi has revealed that substituting one Co for Fe retains the favorable magnetocrystalline anisotropy Ha found in the ternary Fe end member, while enhancing the Curie temperature Tc and saturation

  14. Spintronic properties of Li1.5Mn0.5Z (Z=As, Sb) compounds in the Cu2Sb

    Office of Scientific and Technical Information (OSTI)

    structure (Journal Article) | DOE PAGES Publisher's Accepted Manuscript: Spintronic properties of Li1.5Mn0.5Z (Z=As, Sb) compounds in the Cu2Sb structure This content will become publicly available on January 26, 2017 « Prev Next » Title: Spintronic properties of Li1.5Mn0.5Z (Z=As, Sb) compounds in the Cu2Sb structure Authors: Damewood, L. ; Fong, C. Y. ; Klein, B. M. ; Yang, L. H. ; Felser, C. Publication Date: 2015-03-01 OSTI Identifier: 1249897 Grant/Contract Number: AC52-07NA27344

  15. Spintronic properties of Li1.5Mn0.5Z (Z=As, Sb) compounds in the Cu2Sb

    Office of Scientific and Technical Information (OSTI)

    structure (Journal Article) | SciTech Connect Spintronic properties of Li1.5Mn0.5Z (Z=As, Sb) compounds in the Cu2Sb structure Citation Details In-Document Search This content will become publicly available on January 26, 2017 Title: Spintronic properties of Li1.5Mn0.5Z (Z=As, Sb) compounds in the Cu2Sb structure Authors: Damewood, L. ; Fong, C. Y. ; Klein, B. M. ; Yang, L. H. ; Felser, C. Publication Date: 2015-03-01 OSTI Identifier: 1249897 Grant/Contract Number: AC52-07NA27344 Type:

  16. Direct evidence on magnetic-field-induced phase transition in a NiCoMnIn ferromagnetic shape memory alloy under a stress field.

    SciTech Connect (OSTI)

    Wang, Y. D.; Ren, Y.; Huang, E. W.; Nie, Z. H.; Wang, G.; Liu, Y. D.; Deng, J. N.; Zuo, L.; Choo, H.; Liaw, P .K.; Brown, D. E.; Univ. of Tennessee; Northeastern Univ.; Northern Illinois Univ.

    2007-01-01

    The magnetoelasticity and magnetoplasticity behaviors of a Ni-Co-Mn-In ferromagnetic shape memory alloy (FSMA) induced by the reverse phase transformation interplayed under multiple (temperature, magnetic, and stress) fields were captured directly by high-energy synchrotron x-ray diffraction technique. The experiments showed the direct experimental evidence of that a stress ({approx}50 MPa) applied to this material made a complete recovery of the original orientations of the martensite variants, showing a full shape memory effect. This finding offers the in-depth understanding the fundamental properties and applications of the Ni-Co-Mn-In FSMA with the magnetic-field-induced reverse transformation.

  17. Direct evidence on magnetic-field-induced phase transition in a NiCoMnIn ferromagnetic shape memory alloy under a stress field

    SciTech Connect (OSTI)

    Wang, Y. D.; Ren Yang; Huang, E. W.; Nie, Z. H.; Wang, G.; Liu, Y. D.; Deng, J. N.; Zuo, L.; Choo, H.; Liaw, P. K.; Brown, D. E.

    2007-03-05

    The magnetoelasticity and magnetoplasticity behaviors of a Ni-Co-Mn-In ferromagnetic shape memory alloy (FSMA) induced by the reverse phase transformation interplayed under multiple (temperature, magnetic, and stress) fields were captured directly by high-energy synchrotron x-ray diffraction technique. The experiments showed the direct experimental evidence of that a stress ({approx}50 MPa) applied to this material made a complete recovery of the original orientations of the martensite variants, showing a full shape memory effect. This finding offers the in-depth understanding the fundamental properties and applications of the Ni-Co-Mn-In FSMA with the magnetic-field-induced reverse transformation.

  18. Thermal Variation of Ce Valence in Mixed ValenceKondo Lattice Systems CeT2(Si1-xGex)2 with T= Mn and Ni

    SciTech Connect (OSTI)

    Liang,G.; Croft, M.

    2008-01-01

    The results on the thermal variation of Ce L3-valence in CeT2(Si1-xGex)2 series with 0{le}x{le}1 and T=Mn and Ni are reported. It is observed that for both series, the Ce valence increases with decreasing temperature and has little thermal variation for samples in the nearly trivalent regime. The magnitude of this thermal variation in the T=Mn series is much greater than in the T=Ni series. The results are explained by the degenerate Anderson model and correlated with the specific heat data.

  19. A Comparison of the ?-Radiolysis of TODGA and T(EH)DGA Using UHPLC-ESI-MS Analysis

    SciTech Connect (OSTI)

    Chris A. Zarzana; Gary S. Groenewold; Bruce J. Mincher; Stephen P. Mezyk; Giuseppe Modolo; Andreas Wildens; Holgar Schmidt; James F. Wishart; Andrew R. Cook

    2015-03-01

    Solutions of TODGA and T(EH)DGA in n-dodecane were subjected to ?-irradiation in the presence and absence of an aqueous nitric acid phase and analyzed using UHPLC-ESI-MS to determine the rates of radiolytic decay of the two extractants, as well as to identify radiolysis products. The DGA concentrations decreased exponentially with increasing dose, and the measured degradation rate constants were uninfluenced by the presence or absence of an acidic aqueous phase, or by chemical variations in the alkyl side-chains. The DGA degradation was attributed to reactions of the dodecane radical cation, whose kinetics were measured for TODGA using picosecond electron pulse radiolysis to be k2 = (9.72 1.10) 109 M-1 s-1. The identified radiolysis products suggest that the bonds most vulnerable to radiolytic attack are those in the diglycolamide center of these molecules and not on the side-chains.

  20. Study of organic compounds evolved during the co-firing of coal and refuse derived fuel using TG/MS

    SciTech Connect (OSTI)

    Puroshothama, Shobha; Lu, R.; Yang, Xiaodong

    1996-10-01

    The evolution of organic compounds during the combustion of carbonaceous fuel coupled with solid waste disposal and limited landfill space has been a cause for concern. Co-firing high sulfur coal with refuse derived fuel seems an attractive alternative technique to tackle the dual problem of controlling SO{sub x} emissions as well as those of the chlorinated organic toxins. The TG serves to emulate the conditions of the fluidized bed combustor and the MS serves as the detector for evolved gases. This versatile combination is used to study the decomposition pathway as well as predict the conditions at which various compounds are formed and may serve as a means of reducing the formation of these chlorinated organic compounds.

  1. Identification and decay of the 0.48 ms 13/2{sup +} isomer in {sup 181}Hg

    SciTech Connect (OSTI)

    Andreyev, A. N.; Antalic, S.; Saro, S.; Ackermann, D.; Comas, V. F.; Heinz, S.; Heredia, J. A.; Hessberger, F. P.; Khuyagbaatar, J.; Kojouharov, I.; Kindler, B.; Lommel, B.; Mann, R.; Cocolios, T. E.; Elseviers, J.; Huyse, M.; Duppen, P. Van; Venhart, M.; Franchoo, S.; Hofmann, S.

    2009-10-15

    A new isomer with a half-life of 0.48(2) ms was identified in the nuclide {sup 181}Hg, which was produced in the complete fusion reaction {sup 40}Ca+{sup 144}Sm{yields}{sup 184}Pb* at the velocity filter SHIP (GSI, Darmstadt). The isomeric state was tentatively assigned a spin-parity of 13/2{sup +}. We propose that this isomer de-excites by a yet unobserved low-energy, strongly converted {gamma}-ray transition, followed by a newly identified cascade composed of a 90.3 keV M1 and a 71.4 keV E2 {gamma}-ray transition.

  2. Absolute calibration of Kodak Biomax-MS film response to x rays in the 1.5- to 8-keV energy range

    SciTech Connect (OSTI)

    Marshall, F. J.; Knauer, J. P.; Anderson, D.; Schmitt, B. L

    2006-10-15

    The absolute response of Kodak Biomax-MS film to x rays in the range from 1.5- to 8-keV has been measured using a laboratory electron-beam generated x-ray source. The measurements were taken at specific line energies by using Bragg diffraction to produce monochromatic beams of x rays. Multiple exposures were taken on Biomax MS film up to levels exceeding optical densities of 2 as measured by a microdensitometer. The absolute beam intensity for each exposure was measured with a Si(Li) detector. Additional response measurements were taken with Kodak direct exposure film (DEF) so as to compare the results of this technique to previously published calibrations. The Biomax-MS results have been fitted to a semiempirical mathematical model (Knauer et al., these proceedings). Users of the model can infer absolute fluences from observed exposure levels at either interpolated or extrapolated energies. To summarize the results: Biomax MS has comparable sensitivity to DEF film below 3 keV but has reduced sensitivity above 3 keV ({approx}50%). The lower exposure results from thinner emulsion layers, designed for use with phosphor screens. The ease with which Biomax-MS can be used in place of DEF (same format film, same developing process, and comparable sensitivity) makes it a good replacement.

  3. Investigation of A-site La substituted BaTi{sub 0.96}Mn{sub 0.04}O{sub 3} ceramics: Searching for ferromagnetic origin

    SciTech Connect (OSTI)

    Gong, Gaoshang; Fang, Yujiao; Zerihun, Gebru; Yin, Chongyang; Huang, Shuai; Yuan, Songliu

    2014-06-28

    Ba{sub 1-x}La{sub x}Ti{sub 0.96}Mn{sub 0.04}O{sub 3} ceramics (x?=?0, 3%, 7%) were prepared by a modified Pechini method and the structure, morphology, magnetic and electric properties have been investigated. X-ray diffraction analysis reveals La{sup 3+} ions could suppress the formation of hexagonal phase effectively. The cell parameter c decreases firstly and then increases with the increase of La content, which indicates that La ions have been incorporated into the lattice of BaTi{sub 0.96}Mn{sub 0.04}O{sub 3}, and that Mn ions transform from high valence to low valence. The magnetization, polarization and leakage currents are also influenced by La doping greatly. Detailed analysis of magnetic variation with structural change attributes the room temperature ferromagnetism to double exchange interactions between Mn{sup 3+} and Mn{sup 4+} ions.

  4. Demonstration Assessment of Light-Emitting Diode (LED) Roadway Lighting at the I-35W Bridge, Minneapolis, MN

    SciTech Connect (OSTI)

    Kinzey, Bruce R.; Myer, Michael

    2009-08-31

    This report describes the process and results of a demonstration of solid-state lighting (SSL) technology conducted in 2009 at the recently reconstructed I-35W bridge in Minneapolis, MN. The project was supported under the U.S. Department of Energy (DOE) Solid-State Lighting GATEWAY Technology Demonstration Program. Other participants in the demonstration project included the Minnesota Department of Transportation (Mn/DOT), Federal Highways Administration (FHWA), and BetaLED™ (a division of Ruud Lighting). Pacific Northwest National Laboratory (PNNL) conducted the measurements and analysis of the results. DOE has implemented a three-year evaluation of the LED luminaires in this installation in order to develop new longitudinal field data on LED performance in a challenging, real-world environment. This document provides information through the initial phase of the I-35W bridge project, up to and including the opening of the bridge to the public and the initial feedback received on the LED lighting installation from bridge users. Initial findings of the evaluation are favorable, with minimum energy savings level of 13% for the LED installation relative to the simulated base case using 250W high-pressure sodium (HPS) fixtures. The LEDs had an average illuminance level of 0.91 foot candles compared to 1.29 fc for the HPS lamps. The LED luminaires cost $38,000 more than HPS lamps, yielding a lengthy payback period, however the bridge contractor had offered to include the LED luminaires as part of the construction package at no additional cost. One potentially significant benefit of the LEDs in this installation is avoiding rolling lane closures on the heavily-traveled interstate bridge for the purpose of relamping the HPS fixtures. Rolling lane closures involve multiple crew members and various maintenance and safety vehicles, diversion of traffic, as well as related administrative tasks (e.g., approvals, scheduling, etc.). Mn/DOT records show an average cost of relamping fixtures along interstate roadways of between $130-150 per pole. The previous bridge saw a lamp mortality rate of approximately 50% every two years, though the new bridge was designed to minimize many of the vibration issues. A voluntary Web-based feedback survey of nearly 500 self-described bridge users showed strong preference for the LED lighting - positive comments outnumbered negative ones by about five-to-one.

  5. Electric-field-induced strain effects on the magnetization of a Pr0.67Sr0.33MnO3 film

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, B.; Sun, C. -J.; Lu, W.; Venkatesan, T.; Han, M. -G.; Zhu, Y.; Chen, J.; Chow, G. M.

    2015-05-26

    The electric-field control of magnetic properties of Pr0.67Sr0.33MnO3 (PSMO) film on piezoelectric Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMNT) substrate was investigated. The piezoelectric response of the PMNT substrate to the electric field produced strain that was coupled to the PSMO film. The in-plane compressive (tensile) strain increased (decreased) the magnetization. The change of magnetic moment was associated with the Mn ions. First principle simulations showed that the strain-induced electronic redistribution of the two eg orbitals (3dz2 and 3dx2-y2) of Mn ions was responsible for the change of magnetic moment. This work demonstrates that the magnetoelectric effect in manganite/piezoelectric hetero-structures originates from the change inmore » eg orbital occupancy of Mn ions induced by strain rather than the interfacial effect.« less

  6. Conversion of CH4 into H2 at 300 C using Pd/MnO2 catalyst made with an effect of water oxidation

    SciTech Connect (OSTI)

    Koyanaka, Hideki; Takeuchi, K; Kolesnikov, Alexander I

    2014-01-01

    A novel electricity-free deposition of palladium on the surface of manganese dioxide, which has a crystal structure of ramsdellite, was studied. Using the Pd deposition, a nano-particle of Pd/MnO2 was prepared, and it was used for a catalytic performance for reforming methane into hydrogen at 300 C.

  7. Ti-substituted tunnel-type Na0.44MnO2 oxide as a negative electrode for aqueous sodium-ion batteries

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Yuesheng; Liu, Jue; Lee, Byungju; Qiao, Ruimin; Yang, Zhenzhong; Xu, Shuyin; Yu, Xiqian; Gu, Lin; Hu, Yong-Sheng; Yang, Wanli; et al

    2015-03-25

    The aqueous sodium-ion battery system is a safe and low-cost solution for large-scale energy storage, due to the abundance of sodium and inexpensive aqueous electrolytes. Although several positive electrode materials, e.g., Na0.44MnO2, were proposed, few negative electrode materials, e.g., activated carbon and NaTi2(PO4)3, are available. Here we show that Ti-substituted Na0.44MnO2 (Na0.44[Mn1-xTix]O2) with tunnel structure can be used as a negative electrode material for aqueous sodium-ion batteries. This material exhibits superior cyclability even without the special treatment of oxygen removal from the aqueous solution. Atomic-scale characterizations based on spherical aberration-corrected electron microscopy and ab initio calculations are utilized to accuratelymore » identify the Ti substitution sites and sodium storage mechanism. Ti substitution tunes the charge ordering property and reaction pathway, significantly smoothing the discharge/charge profiles and lowering the storage voltage. Both the fundamental understanding and practical demonstrations suggest that Na0.44[Mn1-xTix]O2 is a promising negative electrode material for aqueous sodium-ion batteries.« less

  8. Study of the Mn-binding sites in photosystem II using antibodies raised against lumenal regions of the D1 and D2 reaction center proteins

    SciTech Connect (OSTI)

    Dalmasso, E.A.

    1992-04-01

    The experiments discussed in this thesis focus on identifying the protein segments or specific amino acids which provide ligands to the Mn cluster of photosystem II (PS II). This Mn cluster plays a central role in the oxygen-evolving complex (OEC) of PS II. The Mn cluster is thought to be bound by lumenal regions of the PS II reaction center proteins known as D1 and D2. First, several peptides were synthesized which correspond to specific lumenal segments of the D1 and D2 proteins. Next, polyclonal antibodies were successfully elicited using three of these peptides. The peptides recognized by these antibodies correspond to protein segments of the spinach reaction center proteins: Ile-321 to Ala-344 of D1 (D1-a), Asp-319 to Arg-334 of D1 (D1-b), and Val-300 to Asn-319 of D2 (D2-a). These antibodies were then used in assays which were developed to structurally or functionally probe the potential Mn-binding regions of the D1 and D2 proteins.

  9. Heat capacity of the site-diluted spin dimer system Ba?(Mn1-xVx)?O?

    SciTech Connect (OSTI)

    Samulon, E. C.; Shapiro, M. C.; Fisher, I. R.

    2011-08-05

    Heat-capacity and susceptibility measurements have been performed on the diluted spin dimer compound Ba?(Mn1-xVx)?O?. The parent compound Ba?Mn?O? is a spin dimer system based on pairs of antiferromagnetically coupled S=1, 3d Mn?? ions such that the zero-field ground state is a product of singlets. Substitution of nonmagnetic S=0, 3d? V?? ions leads to an interacting network of unpaired Mn moments, the low-temperature properties of which are explored in the limit of small concentrations 0?x?0.05. The zero-field heat capacity of this diluted system reveals a progressive removal of magnetic entropy over an extended range of temperatures, with no evidence for a phase transition. The concentration dependence does not conform to expectations for a spin-glass state. Rather, the data suggest a low-temperature random singlet phase, reflecting the hierarchy of exchange energies found in this system.

  10. Effect of calcination temperature on electrical properties of Nd{sub 0.7}Ba{sub 0.3}MnO{sub 3}

    SciTech Connect (OSTI)

    Lim, K. P.; Halim, S. A.; Chen, S. K.; Ng, S. W.; Chew, Z. Y.

    2015-04-24

    In this work, Nd{sub 0.7}Ba{sub 0.3}MnO{sub 3} was synthesized via cryo-milling method to investigate the effect of calcination temperature on the structure, microstructure, magnetic and electrical properties. XRD analysis revealed all samples can be indexed to orthorhombic structure systems with Imma space group accompany with some minor phases of Mn{sub 2}O{sub 4} and BaMnO{sub 3}. FESEM analysis confirmed that a slight increase in the grain size from 117.4 nm (600C), 119.5 nm (700C), 121.0 nm (800C), 123.1 nm (900C) to 138.4 nm (1000C) was observed when different calcination temperature was applied. Four Point Probe measurements showed that all samples are in paramagnetic insulating region and T{sub MIT} is lower than 20K. Resistivity increase when grain size reduces due to increase of effective grain boundary that weakens the electron hopping process via double exchange mechanism. Beside, a drastic increase of resistivity also observed due to present of minor secondary phase (BaMnO{sub 3}) in sample C9.

  11. Point defects and p-type conductivity in Zn{sub 1x}Mn{sub x}GeAs{sub 2}

    SciTech Connect (OSTI)

    Kilanski, L.; Podgrni, A.; Dynowska, E.; Dobrowolski, W.

    2014-07-14

    Positron annihilation spectroscopy is used to study point defects in Zn{sub 1x}Mn{sub x}GeAs{sub 2} crystals with low Mn content 0?x?0.042 with disordered zincblende and chalcopyrite structure. The role of negatively charged vacancies and non-open-volume defects is discussed with respect to the high p-type conductivity with carrier concentration 10{sup 19}?p?10{sup 21}cm{sup ?3} in our samples. Neutral As vacancies, together with negatively charged Zn vacancies and non-open-volume defects with concentrations around 10{sup 16}?10{sup 18}cm{sup ?3}, are observed to increase with increasing Mn content in the alloy. The observed concentrations of defects are not sufficient to be responsible for the strong p-type conductivity of our crystals. Therefore, we suggest that other types of defects, such as extended defects, have a strong influence on the conductivity of Zn{sub 1x}Mn{sub x}GeAs{sub 2} crystals.

  12. Design of Semiconducting Tetrahedral Mn1-xZnxO Alloys and Their Application to Solar Water Splitting

    SciTech Connect (OSTI)

    Peng, Haowei; Ndione, Paul F.; Ginley, David S.; Zakutayev, A.; Lany, Stephen

    2015-05-18

    Both structure-property and composition-structure relationships are exploited to design and realize novel wurtzite-structure Mn1-xZnxO alloys. A proof of principle is provided that corroborates, in particular, the predicted favorable hole-transport properties of these alloys.

  13. Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe{sub 4}Si{sub 3}

    SciTech Connect (OSTI)

    Gourdon, Olivier; Gottschlich, Michael; Persson, Joerg; Cruz, Clarina de la; Petricek, Vaclav; McGuire, Michael A.; Brückel, Thomas

    2014-08-15

    The intermetallic compound MnFe{sub 4}Si{sub 3} has been studied by high-resolution Time of Flight (TOF) neutron powder diffraction. MnFe{sub 4}Si{sub 3} crystallizes in the hexagonal space group P6{sub 3}/mcm with lattice constants of a=b=6.8043(4) Å and c=4.7254(2) Å at 310 K. Magnetic susceptibility measurements show clearly the magnetic transition from paramagnetism to ferromagnetism at about 302(2) K. Magnetic structure refinements based on neutron powder diffraction data with and without external magnetic field reveal strong evidence on the origin of the large magnetocaloric effect (MCE) in this material as a partial reordering of the spins between ∼270 K and 300 K. In addition, electronic structure calculations using the self-consistent, spin-polarized Tight Binding-Linear MuffinTin Orbital (TB-LMTO) method were also accomplished to address the “coloring problem” (Mn/Fe site preference) as well as the unique ferromagnetic behavior of this intermetallic compound. - Graphical abstract: Theoretical and experimental reinvestigation of the magnetic structure of MnFe{sub 4}Si{sub 3} for a better understanding of its large magnetocaloric effect (MCE). - Highlights: • Strong magnetic transition from paramagnetism to ferromagnetism at about 302(2) K. • MCE associated to a partial reordering of the spins between ∼270 K and 300 K. • DFT calculations show strong relation between MCE and spintronic materials.

  14. Microstructural, magnetic, and optical properties of the self-assembled (III{sub 1-x}Mn{sub x})V quantum structure

    SciTech Connect (OSTI)

    Jeon, H. C.; Lee, S. J.; Kang, T. W.

    2010-01-04

    Diluted magnetic semiconductor (DMS) materials have attracted much attention because of the interest in both investigations of fundamental physical properties and promising applications for various spintronic devices. Among many DMS structures, (III{sub 1-x}Mn{sub x})V ferromagnetic semiconductor quantum structures have been particularly attractive due to their potential applications in spintronic devices and they have combined properties of both III-V semiconductors and Mn ferromagnetic compounds, and the excellent advantages derived by utilizing mature III-V based heterostructure technology. Even though not many papers have been reported on the formation of one layer of (III{sub 1-x}Mn{sub x})V Quantum structure-Quantum Dots(QDs) and Quantum Wires(Q-Wire), systematic studies concerning microstructural, magnetic, and optical properties of the (III{sub 1-x}Mn{sub x})V quantum structure have been more attractive because of the interest in promising applications in optoelectronic devices, such as spin injection lasers and spin switching devices.

  15. Preparation of LiMn{sub 2}O{sub 4} cathode thin films for thin film lithium secondary batteries by a mist CVD process

    SciTech Connect (OSTI)

    Tadanaga, Kiyoharu; Yamaguchi, Akihiro; Sakuda, Atsushi; Hayashi, Akitoshi; Tatsumisago, Masahiro; Duran, Alicia; Aparacio, Mario

    2014-05-01

    Highlights: LiMn{sub 2}O{sub 4} thin films were prepared by using the mist CVD process. An aqueous solution of lithium and manganese acetates is used for the precursor solution. The cell with the LiMn{sub 2}O{sub 4} thin films exhibited a capacity of about 80 mAh/g. The cell showed good cycling performance during 10 cycles. - Abstract: LiMn{sub 2}O{sub 4} cathode thin films for thin film lithium secondary batteries were prepared by using so-called the mist CVD process, employing an aqueous solution of lithium acetate and manganese acetate, as the source of Li and Mn, respectively. The aqueous solution of starting materials was ultrasonically atomized to form mist particles, and mists were transferred by nitrogen gas to silica glass substrate to form thin films. FE-SEM observation revealed that thin films obtained by this process were dense and smooth, and thin films with a thickness of about 750 nm were obtained. The electrochemical cell with the thin films obtained by sintering at 700 C exhibited a capacity of about 80 mAh/g, and the cell showed good cycling performance during 10 cycles.

  16. Thermochemistry of La{sub 0.7}Sr{sub 0.3}Mn{sub 1-x}Fe{sub x}O{sub 3} solid solutions (0

    SciTech Connect (OSTI)

    Kemik, Nihan; Takamura, Yayoi; Navrotsky, Alexandra

    2011-08-15

    The structure, the energetics and the internal redox reactions of La{sub 0.7}Sr{sub 0.3}Fe{sub x}Mn{sub 1-x}O{sub 3} have been studied in the complete solid solution range 0.0Mn) ratio. The balance between different valences of the transition metals, Mn and Fe, is the main factor in determining the energetics of the La{sub 0.70}Sr{sub 0.30}Fe{sub x}Mn{sub 1-x}O{sub 3} solid solution. - Graphical abstract: Enthalpy of mixing ({Delta}H{sub mix}) of La{sub 0.7}Sr{sub 0.3}Mn{sub 1-x}Fe{sub x}O{sub 3-{gamma}} solid solution at room temperature as a function of Fe/(Fe+Mn) ratio, x. Linear fits for the two regions at low and high x are shown as solid lines. The inset shows the content of Mn{sup 3+}, Mn{sup 4+}, Fe{sup 3+} and Fe{sup 4+} as a function of x based on the work by Jonker. The redox reactions between different valence states of Fe and Mn dominate the energetic behavior of the solid solution. Highlights: > Investigated the structure, the energetics and the internal redox reactions of La{sub 0.7}Sr{sub 0.3}Mn{sub 1-x}Fe{sub x}O{sub 3}. > Determined the formation and mixing enthalpy by high temperature oxide melt solution calorimetry. > Symmetry of the perovskite, transition metal valence and energetics are interdependent. > Thermochemical data shows convincing evidence of the interplay between the Mn{sup 4+} and the Fe{sup 4+} ions. > Balance between different valences of Mn and Fe dominates the energetics of La{sub 0.7}Sr{sub 0.3}Fe{sub x}Mn{sub 1-x}O{sub 3}.

  17. High power all-metal spin torque oscillator using full Heusler Co{sub 2}(Fe,Mn)Si

    SciTech Connect (OSTI)

    Seki, Takeshi Sakuraba, Yuya; Ueda, Masaki; Okura, Ryo; Takanashi, Koki; Arai, Hiroko; Imamura, Hiroshi

    2014-09-01

    We showed the high rf power (P{sub out}) emission from an all-metal spin torque oscillator (STO) with a Co{sub 2}Fe{sub 0.4}Mn{sub 0.6}Si (CFMS)/Ag/CFMS giant magnetoresistance (GMR) stack, which was attributable to the large GMR effect thanks to the highly spin-polarized CFMS. The oscillation spectra were measured by varying the magnetic field direction, and the perpendicular magnetic field was effective to increase P{sub out} and the Q factor. We simultaneously achieved a high output efficiency of 0.013%, a high Q of 1124, and large frequency tunability. CFMS-based all-metal STO is promising for overcoming the difficulties that conventional STOs are confronted with.

  18. Pulsed high-magnetic-field experiments: New insights into the magnetocaloric effect in Ni-Mn-In Heusler alloys

    SciTech Connect (OSTI)

    Salazar Mejía, C. Nayak, A. K.; Felser, C.; Nicklas, M.; Ghorbani Zavareh, M.; Wosnitza, J.; Skourski, Y.

    2015-05-07

    The present pulsed high-magnetic-field study on Ni{sub 50}Mn{sub 35}In{sub 15} gives an extra insight into the thermodynamics of the martensitic transformation in Heusler shape-memory alloys. The transformation-entropy change, ΔS, was estimated from field-dependent magnetization experiments in pulsed high magnetic fields and by heat-capacity measurements in static fields. We found a decrease of ΔS with decreasing temperature. This behavior can be understood by considering the different signs of the lattice and magnetic contributions to the total entropy. Our results further imply that the magnetocaloric effect will decrease with decreasing temperature and, furthermore, the martensitic transition is not induced anymore by changing the temperature in high magnetic fields.

  19. 4D STUDY OF STRAIN GRADIENTS EVOLUTION IN TWINNED NiMnGa SINGLE CRYSTALS UNDER MAGNETIC FIELD

    SciTech Connect (OSTI)

    Barabash, Rozaliya; Xu, Ruqing; Barabash, Oleg M; Sozinov, Alexei

    2014-01-01

    Time-resolved 3D X-ray microscopy with a submicron beam size was used to follow the evolution of strains in off-stoichiometric NiMnGa twinned crystals near type I (hard) twin boundary under magnetic field. Laminate A/B microstructure was revealed near the twin boundaries in A variant. Large strain gradients are observed in the C variant in the immediate vicinity of the type I twin boundary: the lattice is under large tensile strains ~0.4% along the c- axes within first micron. Distinct a and b lattice parameter evolution with temperature and magnetic field is demonstrated. In an applied magnetic field the strain field was observed at larger distances from the twin boundary and becomes more complex. Stochastic twin boundary motion was observed after the magnetic field reaches a certain critical value.

  20. Experimental evidence of stress-field-induced selection of variants in Ni-Mn-Ga ferromagnetic shape-memory alloys

    SciTech Connect (OSTI)

    Wang, Y. D.; Brown, D. W.; Choo, H.; Liaw, P. K.; Benson, M. L.; Cong, D. Y.; Zuo, L.

    2007-05-01

    The in situ time-of-flight neutron-diffraction measurements captured well the martensitic transformation behavior of the Ni-Mn-Ga ferromagnetic shape-memory alloys under uniaxial stress fields. We found that a small uniaxial stress applied during phase transformation dramatically disturbed the distribution of variants in the product phase. The observed changes in the distributions of variants may be explained by considering the role of the minimum distortion energy of the Bain transformation in the effective partition among the variants belonging to the same orientation of parent phase. It was also found that transformation kinetics under various stress fields follows the scale law. The present investigations provide the fundamental approach for scaling the evolution of microstructures in martensitic transitions, which is of general interest to the condensed matter community.

  1. Experimental and Numerical Analysis on the Distortion of Parts Made of 20MnCr5 by Hot Metal Forming

    SciTech Connect (OSTI)

    Rentsch, Ruediger; Brinksmeier, Ekkard [Stiftung Institut fuer Werkstofftechnik, Badgasteiner Strasse 3, 28359 Bremen (Germany)

    2011-05-04

    For high performance applications, shafts and gears made of 20MnCr5 (AISI 5120) are manufactured in large numbers every year. Inhomogeneities in the material properties, process perturbations and asymmetries in shape and operation setups provide a potential for the distortion of parts, often released by heat treatment. In this contribution experimental results on the distortion of shafts and the dishing of disk-like gear wheel blanks are presented. The numerical analysis of the hot-rolling process allowed to trace a peculiar segregation distribution at the cross-section of the bars back to the casting process, and to identify an asymmetric strain distribution which may be the main cause for shaft distortion. For the dishing of the disks a correlation to the resulting distribution of the material flow was found and, a process perturbation parameter identified which is assumed to be responsible for the observed material flow variation.

  2. Neutron diffraction study of the magnetic-field-induced transition in Mn{sub 3}GaC

    SciTech Connect (OSTI)

    akir, .; Acet, M.; Farle, M.; Senyshyn, A.

    2014-01-28

    The antiperovskite Mn{sub 3}GaC undergoes an isostructural cubiccubic first order transition from a low-temperature, large-cell-volume antiferromagnetic state to a high-temperature, small-cell-volume ferromagnetic state at around 160?K. The transition can also be induced by applying a magnetic field. We study here the isothermal magnetic-field-evolution of the transition as ferromagnetism is stabilized at the expense of antiferromagnetism. We make use of the presence of the two distinct cell volumes of the two magnetic states as a probe to observe by neutron diffraction the evolution of the transition, as the external magnetic field carries the system from the antiferromagnetic to the ferromagnetic state. We show that the large-volume antiferromagnetic and the small-volume ferromagnetic states coexist in the temperature range of the transition. The ferromagnetic state is progressively stabilized as the field increases.

  3. Zero-field spin torque oscillation in Co{sub 2}(Fe, Mn)Si with a point contact geometry

    SciTech Connect (OSTI)

    Yamamoto, T. Kubota, T.; Yako, H.; Takanashi, K.; Seki, T.

    2015-03-02

    We show spin torque oscillation at zero external magnetic field using a point-contact giant magnetoresistance device with a highly spin-polarized Co{sub 2}Fe{sub 0.4}Mn{sub 0.6}Si (CFMS) Heusler alloy. The device emitted a high rf power (P{sub rf}) signal with a narrow spectral linewidth of 3?MHz without external magnetic field. Depending on the applied current, mode changes were clearly observed, and a large P{sub rf} of 25.7 nW was achieved. The large P{sub rf} and the high coherency of oscillation are attributable to the combination of the high spin-polarization of CFMS and the advantages of point-contact geometry.

  4. Influence of copper substitution on the magnetic and magnetocaloric properties of NiMnInB alloys

    SciTech Connect (OSTI)

    Pandey, Sudip Quetz, Abdiel; Aryal, Anil; Dubenko, Igor; Ali, Naushad; Samanta, Tapas; Stadler, Shane

    2015-05-07

    The structural, magnetocaloric, and thermomagnetic properties of Ni{sub 50.51}Mn{sub 34.34−x}Cu{sub x}In{sub 14.14}B{sub 1.01} with x = (0, 1.26, and 2.02) have been studied using room-temperature x-ray diffraction, differential scanning calorimetry (DSC), and magnetization measurements. The partial substitution of Cu for Mn was found to shift both the martensitic transition temperature (T{sub M}) and the Curie temperature (T{sub C}) to lower temperatures. The values of the latent heat (L = 9.4 J/g) and corresponding magnetic (ΔS{sub M}) and total entropy (ΔS{sub T}) changes (ΔS{sub M} = 22.60 J/kg K for ΔH = 5 T and ΔS{sub T} = 29.7 J/kg K) have been evaluated using magnetic and DSC measurements, respectively, for the sample with x = 1.26. Large negative values of ΔS{sub M} of −7.27 and −5.98 J/kg K for ΔH = 5 T in the vicinity of T{sub C} were observed for x = 1.26 and 2.02, respectively. It has been found that the application of hydrostatic pressure changes the magnetic ground state of the martensitic phase and increases the temperature stability of the martensitic phase. The roles of the magnetic and structural changes on the transition temperatures are discussed.

  5. Structural and magnetic properties of Sm{sub 2?x}Mn{sub x}O{sub 3} nanoparticles

    SciTech Connect (OSTI)

    Heiba, Zein K.; Mohamed, Mohamed Bakr; Fuess, H.

    2013-10-15

    Graphical abstract: - Highlights: C-type Sm{sub 2?x}Mn{sub x}O{sub 3} (0.0 ? x ?0.20) is prepared by solgel method. A maximum solubility of x = 0.15 is confirmed by X-ray diffraction, Raman and infrared techniques. Samples with x > 0.05 exhibit weak ferromagnetic properties; for x ? 0.05 antiferromagnetic behaviors is obtained. Correlation between magnetic behaviors and structural and microstructural parameters is discussed. - Abstract: Mixed oxide Sm{sub 2?x}Mn{sub x}O{sub 3} (SMO), x = 0.0, 0.05, 0.10, 0.15 and 0.20 were synthesized by a solgel process. A single phase solid solution is formed up to x = 0.15 which confirmed by using X-ray diffraction, Raman spectroscopy and infrared techniques. Crystal structure and microstructure analyses were performed by Rietveld refinement. Preferential cationic distribution, over the two crystallographic sites 8b and 24d of space group Ia3{sup }, is found for doped samples but with different extent. The r.m.s. microstrain ??{sub L}{sup 2}?{sup 1/2} depends on composition x in a systematic way emphasizing the preferential distribution. Magnetization measurements show that samples with x ? 0.05 have antiferromagnetic behavior, while samples with x > 0.05 exhibit a weak ferromagnetic behavior with magnetic phase transformation at 15 and 16 K for x = 0.1 and x = 0.15, respectively.

  6. Nuclear and magnetic supercells in the multiferroic candidate: Pb{sub 3}TeMn{sub 3}P{sub 2}O{sub 14}

    SciTech Connect (OSTI)

    Silverstein, Harlyn J.; Huq, Ashfia; Lee, Minseong; Choi, Eun Sang; Zhou, Haidong; Wiebe, Christopher R.

    2015-01-15

    The dugganites, Te{sup 6+}-containing members of the langasite series, have attracted recent interest due to their complex low-temperature magnetic unit cells, magnetodielectric, and potentially multiferroic properties. For Pb{sup 2+}-containing dugganites, a large monoclinic supercell was reported and was found to have a profound effect on the low temperature magnetism and spin excitation spectra. Pb{sub 3}TeMn{sub 3}P{sub 2}O{sub 14} is another dugganite previously shown to distort away from the canonical P321 langasite unit cell, although this supercell was never fully solved. Here we report the full crystal and magnetic structure solution of Pb{sub 3}TeMn{sub 3}P{sub 2}O{sub 14} using synchrotron x-ray and neutron diffraction data: a large trigonal supercell is observed in this material, which is believed to be the first supercell of its kind in the langasite family. Here, the magnetic structure, high-magnetic field behavior, and dielectric properties of Pb{sub 3}TeMn{sub 3}P{sub 2}O{sub 14} are presented. In addition to showing weak magnetoelectric behavior similar to other langasites, it was found that a phase transition occurs at 3 T near the antiferromagnetic transition temperature. - Graphical abstract: The nuclear supercell of Pb{sub 3}TeMn{sub 3}P{sub 2}O{sub 14}, found through joint refinements using high resolution synchrotron X-ray and neutron powder diffraction, retains the trigonal symmetry of the subcell. - Highlights: • Large P3 supercell found in Pb{sub 3}TeMn{sub 3}P{sub 2}O{sub 14}. • Complex helical spin structures below T{sub N}=6.6 K. • Phase transition at 3 T found using through dielectric and DC susceptibility measurements. • Moment saturation near 25 T at 1.4 K.

  7. Electronic and optical properties of ScN and (Sc,Mn)N thin films deposited by reactive DC-magnetron sputtering

    SciTech Connect (OSTI)

    Saha, Bivas; Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 ; Naik, Gururaj; Boltasseva, Alexandra; School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 ; Drachev, Vladimir P.; School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907; Department of Physics, University of North Texas, Denton, Texas 76203 ; Marinero, Ernesto E.; Sands, Timothy D.; Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907; School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907

    2013-08-14

    Scandium nitride (ScN) is a rocksalt semiconductor that has attracted significant attention from various researchers for a diverse range of applications. Motivated by the prospect of using its interesting electronic structure for optoelectronic and dilute magnetic semiconductor applications, we present detailed studies of the electronic transport and optical properties of ScN and its alloys with manganese nitride (MnN). Our results suggest (a) dilute manganese doping in ScN compensates for the high n-type carrier concentrations arising due to oxygen impurities and (b) an n-type to p-type carrier type transition occurs at a composition between 5.8% and 11% Mn on Sc sites. In terms of its optical properties, our analysis clearly indicates direct and indirect bandgap absorption edges of ScN located at 2.04 eV and 1.18 eV, respectively. In addition to the direct gap absorption edge, (Sc,Mn)N samples also show Mn-defect induced electronic absorption. Photoluminescence measurements at room temperature from ScN films exhibit a yellowish-green emission corresponding to direct gap radiative recombination. Direct gap recombination is not expected given the smaller indirect gap. A possible role of high excitation intensities in suppressing relaxation and recombination across the indirect bandgap is suspected. Raman spectroscopic and ellipsometric characterization of the dielectric permittivities of ScN and (Sc,Mn)N are also presented to assist in understanding the potential of ScN for optoelectronic applications.

  8. Magnetic field-induced phase transformation in NiMnCoIn magnetic shape memory alloys - a new actuation mechanism with large work output.

    SciTech Connect (OSTI)

    Karaca, H. E.; Karaman, I.; Basaran, B.; Ren, Y.; Chumlyakov, Y. I.; Maier, H. J.; X-Ray Science Division; Texsas A&M Univ.; Univ. of Kentucky; Siberian Physical-Technical Inst.; Univ. of Paderborn

    2009-04-09

    Magnetic shape memory alloys (MSMAs) have recently been developed into a new class of functional materials that are capable of magnetic-field-induced actuation, mechanical sensing, magnetic refrigeration, and energy harvesting. In the present work, the magnetic field-induced martensitic phase transformation (FIPT) in Ni{sub 45}Mn{sub 36.5}Co{sub 5}In{sub 13.5} MSMA single crystals is characterized as a new actuation mechanism with potential to result in ultra-high actuation work outputs. The effects of the applied magnetic field on the transformation temperatures, magnetization, and superelastic response are investigated. The magnetic work output of NiMnCoIn alloys is determined to be more than 1 MJ m{sup -3} per Tesla, which is one order of magnitude higher than that of the most well-known MSMAs, i.e., NiMnGa alloys. In addition, the work output of NiMnCoIn alloys is orientation independent, potentially surpassing the need for single crystals, and not limited by a saturation magnetic field, as opposed to NiMnGa MSMAs. Experimental and theoretical transformation strains and magnetostress levels are determined as a function of crystal orientation. It is found that [111]-oriented crystals can demonstrate a magnetostress level of 140 MPa T{sup -1} with 1.2% axial strain under compression. These field-induced stress and strain levels are significantly higher than those from existing piezoelectric and magnetostrictive actuators. A thermodynamical framework is introduced to comprehend the magnetic energy contributions during FIPT. The present work reveals that the magnetic FIPT mechanism is promising for magnetic actuation applications and provides new opportunities for applications requiring high actuation work-outputs with relatively large actuation frequencies. One potential issue is the requirement for relatively high critical magnetic fields and field intervals (1.5-3 T) for the onset of FIPT and for reversible FIPT, respectively.

  9. Preparation and structural, optical, magnetic, and electrical characterization of Mn{sup 2+}/Co{sup 2+}/Cu{sup 2+} doped hematite nanocrystals

    SciTech Connect (OSTI)

    Srikrishna Ramya, S.I. Mahadevan, C.K.

    2014-03-15

    Pure and Mn{sup 2+} / Co{sup 2+} / Cu{sup 2+} doped (1 and 2 at.%) spherical hematite (α-Fe{sub 2}O{sub 3})nanocrystals have been synthesized by a simple solvothermal method using a domestic microwave oven. XRD measurements confirm that all the seven nanocrystals prepared consist of nanocrystalline hematite phase without any other phases. The energy dispersive X-ray and Fourier transform infrared spectral analyses confirm the phase purity of the nanocrystals prepared. TEM analysis shows the average particle sizes within the range 33–51 nm. Optical absorption measurements indicate that all the three dopants enhance the optical transmittance and reflectance. A red shift is observed in the bandgap energy values estimated from optical absorption and reflectance spectra. Results of magnetic measurements made at room temperature using a vibrating sample magnetometer indicate significant changes in the magnetic properties (coercivity, retentivity and saturationmagnetization) due to doping. Results of magnetic measurements indicate significant changes in the magnetic properties. Results of AC electrical measurements made at various temperatures in the range 40–130 °C and frequencies in the range 100 Hz –1 MHz indicate low dielectric constants and AC electrical conductivities and consequently show the occurrence of nanoconfined states. -- Graphical abstract: The indexed X-ray diffraction (XRD) patterns of all the seven nanocrystals indicate the rhombohedral structure of hematite (JCPDS card No.13-0534). No impurity phase like oxides of Mn or Co or Cu was detected above equipment limit. The average crystallite (grain) sizes estimated using the Scherrer's formula. Highlights: • Pure and Mn/Co/Cu-doped hematite nanocrystals have been prepared. • The method adopted for the preparation is simple, economical and scalable. • Prepared nanocrystals are spherical in shape with good crystallinity and phase purity. • Mn/Co/Cu-doping enhances the optical transmittance and ferromagnetic order. • Optical, magnetic and electrical properties tuned by Mn/Co/Cu-doping are explained.

  10. Temperature dependent evolution of the electronic and local atomic structure in the cubic colossal magnetoresistive manganite La1-xSrxMnO3

    SciTech Connect (OSTI)

    Arenholz, Elke; Mannella, N.; Booth, C.H.; Rosenhahn, A.; Sell, B.C.; Nambu, A.; Marchesini, S.; Mun, B. S.; Yang, S.-H.; Watanabe, M.; Ibrahim, K.; Arenholz, E.; Young, A.; Guo, J.; Tomioka, Y.; Fadley, C.S.

    2007-12-06

    We have studied the temperature-dependent evolution of the electronic and local atomic structure in the cubic colossal magnetoresistive manganite La{sub 1-x}Sr{sub x}MnO{sub 3} (x= 0.3-0.4) with core and valence level photoemission (PE), x-ray absorption spectroscopy (XAS), x-ray emission spectroscopy (XES), resonant inelastic x-ray scattering (RIXS), extended x-ray absorption fine structure (EXAFS) spectroscopy and magnetometry. As the temperature is varied across the Curie temperature T{sub c}, our PE experiments reveal a dramatic change of the electronic structure involving an increase in the Mn spin moment from {approx} 3 {micro}B to {approx} 4 {micro}B, and a modification of the local chemical environment of the other constituent atoms indicative of electron localization on the Mn atom. These effects are reversible and exhibit a slow-timescale {approx}200 K-wide hysteresis centered at T{sub c}. Based upon the probing depths accessed in our PE measurements, these effects seem to survive for at least 35-50 {angstrom} inward from the surface, while other consistent signatures for this modification of the electronic structure are revealed by more bulk sensitive spectroscopies like XAS and XES/RIXS. We interpret these effects as spectroscopic fingerprints for polaron formation, consistent with the presence of local Jahn-Teller distortions of the MnO{sub 6} octahedra around the Mn atom, as revealed by the EXAFS data. Magnetic susceptibility measurements in addition show typical signatures of ferro-magnetic clusters formation well above the Curie temperature.

  11. A comparison of the γ-radiolysis of TODGA and T(EH)DGA using UHPLC-ESI-MS analysis

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chris A. Zarzana; Cook, Andrew R.; Groenewold, Gary S.; Mincher, Bruce J.; Mezyk, Stephen P.; Wilden, Andreas; Schmidt, Holger; Modolo, Giuseppe; Wishart, James F.

    2015-03-11

    Solutions of TODGA and T(EH)DGA in n-dodecane were subjected to γ-irradiation in the presence and absence of an aqueous nitric acid phase and analyzed using UHPLC-ESI-MS to determine the rates of radiolytic decay of the two extractants, as well as to identify radiolysis products. The DGA concentrations decreased exponentially with increasing dose, and the measured degradation rate constants were uninfluenced by the presence or absence of an acidic aqueous phase, or by chemical variations in the alkyl side-chains. The DGA degradation was attributed to reactions of the dodecane radical cation, whose kinetics were measured for TODGA using picosecond electron pulsemore » radiolysis to be k2 = (9.72 ± 1.10) × 109 M–1 s–1. Furthermore, the identified radiolysis products suggest that the bonds most vulnerable to radiolytic attack are those in the diglycolamide center of these molecules and not on the side-chains.« less

  12. Distributed computing strategies for processing of FT-ICR MS imaging datasets for continuous mode data visualization

    SciTech Connect (OSTI)

    Smith, Donald F.; Schulz, Carl; Konijnenburg, Marco; Kilic, Mehmet; Heeren, Ronald M.

    2015-03-01

    High-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry imaging enables the spatial mapping and identification of biomolecules from complex surfaces. The need for long time-domain transients, and thus large raw file sizes, results in a large amount of raw data (“big data”) that must be processed efficiently and rapidly. This can be compounded by largearea imaging and/or high spatial resolution imaging. For FT-ICR, data processing and data reduction must not compromise the high mass resolution afforded by the mass spectrometer. The continuous mode “Mosaic Datacube” approach allows high mass resolution visualization (0.001 Da) of mass spectrometry imaging data, but requires additional processing as compared to featurebased processing. We describe the use of distributed computing for processing of FT-ICR MS imaging datasets with generation of continuous mode Mosaic Datacubes for high mass resolution visualization. An eight-fold improvement in processing time is demonstrated using a Dutch nationally available cloud service.

  13. LA-23336-MS

    Office of Scientific and Technical Information (OSTI)

    Materials for Liquid-Lead and Lead-Bismuth Eutectic Spallation Neutron Source John ... Oxide scales were formed on the surface of the sample. Figure 2 shows the weight changes ...

  14. Ms. Maggie Owen, Chair

    Office of Environmental Management (EM)

    Myron Iwanski, Anderson County Mayor Mark Watson, Oak Ridge city Mayor Ron Woody, Roan ... FORS David Adler, EM-92 Melyssa Noe, EM-95 Joy Sager, EM-91 Susan M.Cange, Acting Manager ...

  15. LA-23336-MS

    Office of Scientific and Technical Information (OSTI)

    ... Hours to Severe Corrosion Temperature Range ("C)

  16. LA-5052-MS

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2271 CHEMISTRY-GENERAL TID-4500, 14th Ed. LOS ALAMOS SCIENTIFIC LABORATORY OF THE UNIVERSITY OF CALIFORNIA LOS ALAMOS NEW MEXICO REPORT WRITTEN: August 1958 REPORT DISTRIBUTED: March 17, 1959 COMPRESSIBILITY FACTORS AND FUGACITY COEFFICIENTS CALCULATED FROM THE BEATTIE-BRIDGEMAN EQUATION OF STATE FOR HYDROGEN, NITROGEN, OXYGEN, CARBON DIOXIDE, AMMONIA, METHANE, AND HELIUM by C. E. Holley, J r . W. J. Worlton R. K. Zeigler » * This report expresses the opinions of the author or authors and does

  17. MS FORTRAN Extended Libraries

    Energy Science and Technology Software Center (OSTI)

    1986-09-01

    DISPPAK is a set of routines for use with Microsoft FORTRAN programs that allows the flexible display of information on the screen of an IBM PC in both text and graphics modes. The text mode routines allow the cursor to be placed at an arbitrary point on the screen and text to be displayed at the cursor location, making it possible to create menus and other structured displays. A routine to set the color ofmore » the characters that these routines display is also provided. A set of line drawing routines is included for use with IBM''s Color Graphics Adapter or an equivalent board (such as the Enhanced Graphics Adapter in CGA emulation mode). These routines support both pixel coordinates and a user-specified set of real number coordinates. SUBPAK is a function library which allows Microsoft FORTRAN programs to calculate random numbers, issue calls to the operating system, read individual characters from the keyboard, perform Boolean and shift operations, and communicate with the I/O ports of the IBM PC. In addition, peek and poke routines, a routine that returns the address of any variable, and routines that can access the system time and date are included.« less

  18. Is LA-12152-MS

    Office of Scientific and Technical Information (OSTI)

    ... Treaty Organization Advisory Group for Aerospace Research and Development (December ... B. Hildebrand, Advanced Calculus for Applications (Prentice-Hall, Inc., Englewood ...

  19. LA-11224-MS

    Office of Scientific and Technical Information (OSTI)

    FEHM: FINITE ELEMENT HEAT AND MASS TRANSFER CODE George l y v o l o s k i , Zora Dash, and Sharad K e l k a r ABSTRACT The f i n i t e element heat and mass (FEHM) t r a n s f e r ...

  20. LA-11224-MS

    Office of Scientific and Technical Information (OSTI)

    i m u l a t e geothermal and h o t d r y r o c k r e s e r v o i r s . I t i s a l s o a p p l i c a b l e t o n a t u r a l - s t a t e s t u d i e s o f geothermal systems and ...