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Sample records for log cation geothermometers

  1. Cation Geothermometers | Open Energy Information

    Open Energy Info (EERE)

    prospect the fastest is obtaining attractive chemical confirmation (geothermometry, gas analyses) that a thermal resource exists in that location. As with all geothermal...

  2. Evaluation Of Chemical Geothermometers For Calculating Reservoir...

    Open Energy Info (EERE)

    Geothermometers For Calculating Reservoir Temperatures At Nevada Geothermal Power Plants Jump to: navigation, search OpenEI Reference LibraryAdd to library Conference Paper:...

  3. Multicomponent Geothermometers | Open Energy Information

    Open Energy Info (EERE)

    of using full chemical analyses of water samples to compute the saturation indices (log(QK)) of reservoir minerals over a range of temperatures. The saturation indices are graphed...

  4. Cation Geothermometers At Lightning Dock Geothermal Area (Witcher...

    Open Energy Info (EERE)

    Usefulness useful DOE-funding Unknown Exploration Basis Part of the Geothermal Resource Evaluation and Definition (GRED) Program administered by DOE-AAO under Cooperative...

  5. New Improved Equations For Na-K, Na-Li And Sio2 Geothermometers...

    Open Energy Info (EERE)

    Improved Equations For Na-K, Na-Li And Sio2 Geothermometers By Outlier Detection And Rejection Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article:...

  6. Mud Logging | Open Energy Information

    Open Energy Info (EERE)

    Well Log Techniques Acoustic Logs Cement Bond Log Cross-Dipole Acoustic Log Caliper Log Chemical Logging Density Log Gamma Log Image Logs Mud Logging Neutron Log Pressure...

  7. Change Log

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

    NERSC-8 Trinity Benchmarks Change Log 09032013 Correction applied to MiniDFT web-page ... results spreadsheet (linked on SSP web page); clarification to benchmark run rules ...

  8. Derivation and calibration of semi-empirical gas geothermometers for Mahanagdong Geothermal Project, Philippines

    SciTech Connect (OSTI)

    Sanchez, D.R.

    1996-12-31

    The dissolved CO{sub 2}, H{sub 2}S, and H{sub 2} gases in Mahanagdong aquifer fluids are controlled by specific gas-mineral equilibria. At temperature range of 250 to 310 {degrees}C, CO{sub 2} is buffered by clinozoisite + K-feldspar + calcite + muscovite (illite) + quartz mineral assemblage. For H{sub 2}S and H{sub 2} dissolved gases, they are more likely buffered by pyrrhotite + pyrite + magnetite mineral assemblage at similar temperature range. Calibration of five Mahanagdong (MG) gas geothermometers is presented, three of which used CO{sub 2}, H{sub 2}S, and H{sub 2} concentration in steam. The remaining two use CO{sub 2}/H{sub 2} and H{sub 2}S/H{sub 2} ratios. The calibration is based on the relation between gas content of drillhole discharges and measured aquifer temperatures. After establishing the gas content in the aquifer, gas concentrations were computed in steam after adiabatic boiling to atmospheric condition (100 {degrees}C), to obtain gas geothermometry functions. These functions could also be used in evaluating fraction of steam condensation and temperature of phase separation. A demonstration given the Mahanagdong fumarole data, indicates that there is generally a fair relation between computed temperatures using Mahanagdong gas geothermometers and the actual field trend`s temperatures.

  9. Change Log

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

    Change Log Change Log Crossroads/NERSC-9 Benchmarks Change Log 03/04/2016 Updated PENNANT benchmark. Updated SSI spreadsheet to reflect new PENNANT reference timing. 02/29/2016 Updated MPI Benchmarks section. Added link for SMB multi-threaded MPI benchmarks, which are to be used for message rate and latency measurements called out in the Application Performance section of the RFP. 02/26/2016 New miniPIC distribution: 1) Updated source and README.APEX, 2) FOM is now updates/second, 3) Edison

  10. Change Log

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

    Change Log Change Log NERSC-8 / Trinity Benchmarks Change Log 09/03/2013 Correction applied to MiniDFT web-page (to remove inconsistency with MiniDFT README). Capability Improvement measurements do not require 10,000 MPI ranks per k-point. 08/06/2013 Various pages have changed to remove "draft" status 08/02/2013 Correction added to FLOP Counts for "Small" Single-Node Miniapplication Tests page 07/12/2013 README files updated for IOR benchmark to correct an error in wording

  11. Spontaneous Potential Well Log | Open Energy Information

    Open Energy Info (EERE)

    Log Chemical Logging Density Log Gamma Log Image Logs Mud Logging Neutron Log Pressure Temperature Log Single-Well and Cross-Well Resistivity Spontaneous Potential Well Log...

  12. Well Log ETL tool

    Energy Science and Technology Software Center (OSTI)

    2013-08-01

    This is an executable python script which offers two different conversions for well log data: 1) Conversion from a BoreholeLASLogData.xls model to a LAS version 2.0 formatted XML file. 2) Conversion from a LAS 2.0 formatted XML file to an entry in the WellLog Content Model. Example templates for BoreholeLASLogData.xls and WellLogsTemplate.xls can be found in the package after download.

  13. Caliper Log | Open Energy Information

    Open Energy Info (EERE)

    Information Exploration Group: Downhole Techniques Exploration Sub Group: Well Log Techniques Parent Exploration Technique: Well Log Techniques Information Provided by...

  14. Log-Tool

    Energy Science and Technology Software Center (OSTI)

    2012-05-21

    Log files are typically semi- or un-structured. To be useable for visualization and machine learning, they need to be parsed into a standard, structured format. Log-tool is a tool for facilitating the parsing, structuring, and routing of log files (e.g. intrusion detection long, web server logs, system logs). It consists of three main components: (1) Input – it will input data from files, standard input, and syslog, (2) Parser – it will parse the logmore »file based on regular expressions into structured data (JSNO format), (3) Output – it will output structured data into commonly used formats, including Redis (a database), standard output, and syslog.« less

  15. Logging in to Franklin

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

    Logging in Logging in to Franklin Interactive Access You can log in to Franklin using SSH (Secure Shell) with the following command from any UNIX, Linux, FreeBSD, etc. command shell or terminal: % ssh -l username franklin.nersc.gov There are a number of SSH-capable clients available for Windows, Mac, and UNIX/Linux machines. NERSC does not support or recommend any particular client. Franklin has 10 login nodes; you will be randomly connected to one of those 10 when you ssh to franklin.nersc.gov.

  16. Acoustic Logs | Open Energy Information

    Open Energy Info (EERE)

    different types of acoustic logs are used, based on the frequencies used, the way the signal is recorded, and the purpose of the log. All these logs require fluid in the well to...

  17. Density Log | Open Energy Information

    Open Energy Info (EERE)

    Density Log Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Density Log Details Activities (7) Areas (6) Regions (0) NEPA(0) Exploration...

  18. NMR logging apparatus

    DOE Patents [OSTI]

    Walsh, David O; Turner, Peter

    2014-05-27

    Technologies including NMR logging apparatus and methods are disclosed. Example NMR logging apparatus may include surface instrumentation and one or more downhole probes configured to fit within an earth borehole. The surface instrumentation may comprise a power amplifier, which may be coupled to the downhole probes via one or more transmission lines, and a controller configured to cause the power amplifier to generate a NMR activating pulse or sequence of pulses. Impedance matching means may be configured to match an output impedance of the power amplifier through a transmission line to a load impedance of a downhole probe. Methods may include deploying the various elements of disclosed NMR logging apparatus and using the apparatus to perform NMR measurements.

  19. Logs Perl Module

    Energy Science and Technology Software Center (OSTI)

    2007-04-04

    A perl module designed to read and parse the voluminous set of event or accounting log files produced by a Portable Batch System (PBS) server. This module can filter on date-time and/or record type. The data can be returned in a variety of formats.

  20. Log in | The Ames Laboratory

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

    Error message Access denied. You must log in to view this page.

  1. Neutron Log | Open Energy Information

    Open Energy Info (EERE)

    Dictionary.png Neutron Log: The neutron log responds primarily to the amount of hydrogen in the formation which is contained in oil, natural gas, and water. The amount of...

  2. Geotech Logging Services | Open Energy Information

    Open Energy Info (EERE)

    Logging Services Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Geotech Logging Services Author Geotech Logging Servces LLC Published Publisher...

  3. Category:Chemical Logging | Open Energy Information

    Open Energy Info (EERE)

    Chemical Logging Jump to: navigation, search Geothermalpower.jpg Looking for the Chemical Logging page? For detailed information on Chemical Logging, click here. Category:Chemical...

  4. Coiled-tubing logging system

    SciTech Connect (OSTI)

    Howell, E.P.; Smith, L.J.; Blount, C.G.

    1988-03-01

    Techniques have been developed to use coiled tubing containing a seven-conductor wireline to facilitate logging operations. Equipment has been designed to permit the connection of conventional logging tools to the tubing and the recording of logs. Operating techniques have been developed and applied under various wellbore conditions. The system allows traditional log measurements in a well while wellbore conditions are controlled. Advantages of the system include reduced wellbore pressure during peroration to maximize perforation performance; lubrication during pulling or pushing a logging tool through a borehole so that a more uniform velocity can be maintained with a logging sonde; continued circulation and thus borehole stability during logging; temperature reduction for improved reliability of logging sonde electronics in hot holes; and more stable positioning of perforation equipment. The ability of coiled tubing to push tools down highly deviated or horizontal wellbores makes logging or perforating feasible in these wells. Expenses can often be reduced with coiled-tubing logging because a rig is unnecessary during many operations.

  5. Coiled-tubing logging system

    SciTech Connect (OSTI)

    Howell, E.P.; Smith, L.J.; Blount, C.G.

    1986-01-01

    Techniques have been developed which use coiled tubing containing a seven-conductor wireline to facilitate logging operations. Equipment has been designed which permits the connection of conventional logging tools to the tubing and the recording of logs. Also, operating techniques have been developed and applied under various wellbore conditions. The system allows traditional log measurements in a well while controlling wellbore conditions. Advantages of the system include: reduced wellbore pressure during perforation to minimize formation damage: lubrication while pulling or pushing a logging tool through a borehole so that a more uniform velocity can be maintained with a logging sonde; continued circulation and thus borehole stability while logging; temperature reduction for improved reliability of logging sonde electronics in hot holes; and more stable positioning of perforation equipment. The ability of coiled tubing to push tools down highly deviated, or even horizontal wellbores, makes logging or perforating feasible in these wells. Expenses can often be reduced with coiled-tubing logging, since a rig is unnecessary during many operations.

  6. Acoustic paramagnetic logging tool

    DOE Patents [OSTI]

    Vail, III, William B. (Bothell, WA)

    1988-01-01

    New methods and apparatus are disclosed which allow measurement of the presence of oil and water in geological formations using a new physical effect called the Acoustic Paramagnetic Logging Effect (APLE). The presence of petroleum in formation causes a slight increase in the earth's magnetic field in the vicinity of the reservoir. This is the phenomena of paramagnetism. Application of an acoustic source to a geological formation at the Larmor frequency of the nucleons present causes the paramagnetism of the formation to disappear. This results in a decrease in the earth3 s magnetic field in the vicinity of the oil bearing formation. Repetitively frequency sweeping the acoustic source through the Larmor frequency of the nucleons present (approx. 2 kHz) causes an amplitude modulation of the earth's magnetic field which is a consequence of the APLE. The amplitude modulation of the earth's magnetic field is measured with an induction coil gradiometer and provides a direct measure of the amount of oil and water in the excitation zone of the formation . The phase of the signal is used to infer the longitudinal relaxation times of the fluids present, which results in the ability in general to separate oil and water and to measure the viscosity of the oil present. Such measurements may be preformed in open boreholes and in cased well bores.

  7. Chemical Logging | Open Energy Information

    Open Energy Info (EERE)

    concentrations.1 Use in Geothermal Exploration During a chemical logging study at the Raft River Geothermal Test Site, returned drilling fluid samples were collected every...

  8. Category:Neutron Log | Open Energy Information

    Open Energy Info (EERE)

    Looking for the Neutron Log page? For detailed information on Neutron Log, click here. Category:Neutron Log Add.png Add a new Neutron Log Technique Pages in category...

  9. A new approach for deriving pseudovelocity logs from resistivity logs

    SciTech Connect (OSTI)

    Dos Santos, W.L.B.; Ulrych, T.J.; De Lima, O.A.L.

    1988-01-01

    This paper describes a method of generating pseudovelocity logs using measurements of electrical resistivity. A theoretical relation between electrical resistivity and transit time, which is applicable to a wide range of lithologies, has been developed. The application of this relation using a method which defines lithoresistivity zones as lithological intervals related to the same formation and showing small resistivity variations, has been tested in the Reconcavo sedimentary basin in Bahia, Brazil. A comparison of derived pseudovelocity logs with actual sonic logs for five wells shows the validity of the present approach.

  10. Category:Well Log Techniques | Open Energy Information

    Open Energy Info (EERE)

    1 pages C Caliper Log 1 pages Chemical Logging 1 pages D Density Log 1 pages G Gamma Log 1 pages I Image Logs 1 pages M Mud...

  11. Vertical Flowmeter Logging | Open Energy Information

    Open Energy Info (EERE)

    Logging Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Vertical Flowmeter Logging Author U.S. Geological Survey Published USGS Groundwater...

  12. Well Log Techniques | Open Energy Information

    Open Energy Info (EERE)

    formation properties versus depth in a borehole. Other definitions:Wikipedia Reegle Introduction Well logging, also known as wireline logging, is a method of data collection in the...

  13. Silica Geothermometers | Open Energy Information

    Open Energy Info (EERE)

    in the Past 20 Years: Geochemistry in Geothermal Exploration, Resource Evaluation and Reservoir Management 2.0 2.1 Lectures on Geochemical Interpretation of Hydrothermal...

  14. Well Log Techniques At Raft River Geothermal Area (1977) | Open...

    Open Energy Info (EERE)

    the rock using well log data. Notes Information is given on the following logs: dual-induction focused log, including resistivity, sp, and conductivity; acoustic log; compensated...

  15. Chemical logging of geothermal wells

    DOE Patents [OSTI]

    Allen, Charles A. (Idaho Falls, ID); McAtee, Richard E. (Idaho Falls, ID)

    1981-01-01

    The presence of geothermal aquifers can be detected while drilling in geothermal formations by maintaining a chemical log of the ratio of the concentrations of calcium to carbonate and bicarbonate ions in the return drilling fluid. A continuous increase in the ratio of the concentrations of calcium to carbonate and bicarbonate ions is indicative of the existence of a warm or hot geothermal aquifer at some increased depth.

  16. Borehole Geophysical Logging | Open Energy Information

    Open Energy Info (EERE)

    Logging Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Borehole Geophysical Logging Authors Hager-Richter Geoscience and Inc. Published Publisher Not...

  17. Energy Citations Database (ECD) - Alerts Log On

    Office of Scientific and Technical Information (OSTI)

    Log On You must Log On to use the ECD Alerts. Alerts provide users with e-mail notification of updates to the ECD in specific areas of interest. If you wish to receive an Alert and...

  18. Leak checker data logging system

    DOE Patents [OSTI]

    Gannon, J.C.; Payne, J.J.

    1996-09-03

    A portable, high speed, computer-based data logging system for field testing systems or components located some distance apart employs a plurality of spaced mass spectrometers and is particularly adapted for monitoring the vacuum integrity of a long string of a superconducting magnets such as used in high energy particle accelerators. The system provides precise tracking of a gas such as helium through the magnet string when the helium is released into the vacuum by monitoring the spaced mass spectrometers allowing for control, display and storage of various parameters involved with leak detection and localization. A system user can observe the flow of helium through the magnet string on a real-time basis hour the exact moment of opening of the helium input valve. Graph reading can be normalized to compensate for magnet sections that deplete vacuum faster than other sections between testing to permit repetitive testing of vacuum integrity in reduced time. 18 figs.

  19. Leak checker data logging system

    DOE Patents [OSTI]

    Gannon, Jeffrey C. (Arlington, TX); Payne, John J. (Waterman, IL)

    1996-01-01

    A portable, high speed, computer-based data logging system for field testing systems or components located some distance apart employs a plurality of spaced mass spectrometers and is particularly adapted for monitoring the vacuum integrity of a long string of a superconducting magnets such as used in high energy particle accelerators. The system provides precise tracking of a gas such as helium through the magnet string when the helium is released into the vacuum by monitoring the spaced mass spectrometers allowing for control, display and storage of various parameters involved with leak detection and localization. A system user can observe the flow of helium through the magnet string on a real-time basis hour the exact moment of opening of the helium input valve. Graph reading can be normalized to compensate for magnet sections that deplete vacuum faster than other sections between testing to permit repetitive testing of vacuum integrity in reduced time.

  20. Cationic phospholipids: structure transfection activity relationships

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Cationic phospholipids: structure transfection activity relationships Citation Details In-Document Search Title: Cationic phospholipids: structure transfection activity relationships Synthetic cationic lipids are presently the most widely used non-viral gene carriers. Examined here is a particularly attractive cationic lipid class, triester phosphatidylcholines (PCs) exhibiting low toxicities and good transfection efficiency. Similarly to other cationic

  1. Logging in to Cori P1

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

    Logging in Logging in to Cori P1 Interactive Access You can log in to Cori using SSH (Secure Shell) with the following command from any UNIX, Mac OS X, Linux, FreeBSD, etc. command shell or terminal: ssh -l username cori.nersc.gov There are several SSH-capable clients available for Windows, Mac, and UNIX/Linux machines. NERSC does not support or recommend any particular client. More information on connecting to NERSC with SSH, including how to generate SSH keys for passworless logins, can be

  2. Cationic Phospholipids Forming Cubic Phases: Lipoplex Structure...

    Office of Scientific and Technical Information (OSTI)

    Cationic Phospholipids Forming Cubic Phases: Lipoplex Structure and Transfection Efficiency Citation Details In-Document Search Title: Cationic Phospholipids Forming Cubic Phases: ...

  3. Logging-while-coring method and apparatus

    DOE Patents [OSTI]

    Goldberg, David S.; Myers, Gregory J.

    2007-01-30

    A method and apparatus for downhole coring while receiving logging-while-drilling tool data. The apparatus includes core collar and a retrievable core barrel. The retrievable core barrel receives core from a borehole which is sent to the surface for analysis via wireline and latching tool The core collar includes logging-while-drilling tools for the simultaneous measurement of formation properties during the core excavation process. Examples of logging-while-drilling tools include nuclear sensors, resistivity sensors, gamma ray sensors, and bit resistivity sensors. The disclosed method allows for precise core-log depth calibration and core orientation within a single borehole, and without at pipe trip, providing both time saving and unique scientific advantages.

  4. Logs Wood Chips Straw Corn Switchgrass

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

    in wind can make electricity. Bioenergy comes from plants we can turn into fuel. Logs Wood Chips Straw Corn Switchgrass We can use energy from the earth to heat and cool our...

  5. Formation mechanical properties and the sonic log

    SciTech Connect (OSTI)

    Elphick, R.Y.

    1988-11-01

    A program is presented that calculates the mechanical properties of reservoir rocks from sonic logs. The program was written in Microsoft BASIC and the source code for MS-DOS, Apple Macintosh, and Amiga personal computers is given.

  6. Sisyphus - An Event Log Analysis Toolset

    Energy Science and Technology Software Center (OSTI)

    2004-09-01

    Event logs are a ubiquitous source of system feedback from computer systems, but have widely ranging format and can be extremely numerous, particularly from systems with many logging components. Inspection of these logs is fundamental to system debugging; increased capability to quickly extract meaningful information will impact MTTR (mean time to repair) and may impact MTBF (mean time between failure). Sisyphus is a machine-leanring analysis system whose goal is to enable content-novice analysts to efficieniiymore » understand evolving trends, identify anomalies, and investigate cause-effect hypotheses in large multiple-souce log sets. The toolkit is comprised a framework for utilizing third-party frequentitemset data mining tools Teiresias and SLCT. and software to cluster messages according to time statistics, and an interactive results viewer.« less

  7. CMLOG: A common message logging system

    SciTech Connect (OSTI)

    Chen, J.; Akers, W.; Bickley, M.; Wu, D.; Watson, W. III

    1997-12-01

    The Common Message Logging (CMLOG) system is an object-oriented and distributed system that not only allows applications and systems to log data (messages) of any type into a centralized database but also lets applications view incoming messages in real-time or retrieve stored data from the database according to selection rules. It consists of a concurrent Unix server that handles incoming logging or searching messages, a Motif browser that can view incoming messages in real-time or display stored data in the database, a client daemon that buffers and sends logging messages to the server, and libraries that can be used by applications to send data to or retrieve data from the database via the server. This paper presents the design and implementation of the CMLOG system meanwhile it will also address the issue of integration of CMLOG into existing control systems.

  8. Energy Citations Database (ECD) - Alerts Log On

    Office of Scientific and Technical Information (OSTI)

    ECD Alerts Log On Alerts provide users with e-mail notification of updates to the ECD in specific areas of interest. If you wish to receive an Alert and are not registered, please...

  9. Logging-while-coring method and apparatus

    DOE Patents [OSTI]

    Goldberg, David S. (New York, NY); Myers, Gregory J. (Cornwall, NY)

    2007-11-13

    A method and apparatus for downhole coring while receiving logging-while-drilling tool data. The apparatus includes core collar and a retrievable core barrel. The retrievable core barrel receives core from a borehole which is sent to the surface for analysis via wireline and latching tool The core collar includes logging-while-drilling tools for the simultaneous measurement of formation properties during the core excavation process. Examples of logging-while-drilling tools include nuclear sensors, resistivity sensors, gamma ray sensors, and bit resistivity sensors. The disclosed method allows for precise core-log depth calibration and core orientation within a single borehole, and without at pipe trip, providing both time saving and unique scientific advantages.

  10. Cement Bond Log | Open Energy Information

    Open Energy Info (EERE)

    casing and cement and between cement and borehole wall. Most cement-bond logs are a measurement only of the amplitude of the early arriving casing signal. Although a small...

  11. Category:Cross-Dipole Acoustic Log | Open Energy Information

    Open Energy Info (EERE)

    Cross-Dipole Acoustic Log Jump to: navigation, search Geothermalpower.jpg Looking for the Cross-Dipole Acoustic Log page? For detailed information on Cross-Dipole Acoustic Log,...

  12. Property:FirstWellLog | Open Energy Information

    Open Energy Info (EERE)

    FirstWellLog Jump to: navigation, search Property Name FirstWellLog Property Type Page Retrieved from "http:en.openei.orgwindex.php?titleProperty:FirstWellLog&oldid598766...

  13. Category:Pressure Temperature Log | Open Energy Information

    Open Energy Info (EERE)

    Geothermalpower.jpg Looking for the Pressure Temperature Log page? For detailed information on Pressure Temperature Log, click here. Category:Pressure Temperature Log Add.png Add a...

  14. Gamma-Ray Logging Workshop (February 1981) | Department of Energy

    Office of Environmental Management (EM)

    Gamma-Ray Logging Workshop (February 1981) Gamma-Ray Logging Workshop (February 1981) Gamma-Ray Logging Workshop (February 1981) PDF icon Gamma-Ray Logging Workshop (February 1981) More Documents & Publications Borehole Logging Methods for Exploration and Evaluation of Uranium Deposits (1967) Grade Assignments for Models Used for Calibration of Gross-Count Gamma-Ray Logging Systems (December 1983) Parameter Assignments for Spectral Gamma-Ray Borehole Calibration Models (April 1984)

  15. Green Energy Resources Inc formerly New York International Log...

    Open Energy Info (EERE)

    Inc formerly New York International Log Lumber Company Jump to: navigation, search Name: Green Energy Resources Inc (formerly New York International Log & Lumber Company) Place:...

  16. Chemical Logging At North Brawley Geothermal Area (Department...

    Open Energy Info (EERE)

    Chemical logs were made from well fluids for analysis when designing the first experimental power plant Notes Detailed logs of well fluids were recorded. Non-condensable gases...

  17. Energy Efficiency in Log Homes | Department of Energy

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

    energy efficiency when designing or purchasing a log home. | Photo courtesy of iStockphoto.comtinabelle Consider energy efficiency when designing or purchasing a log home. |...

  18. Method for determining formation quality factor from well log...

    Office of Scientific and Technical Information (OSTI)

    well log data and its application to seismic reservoir characterization Citation Details In-Document Search Title: Method for determining formation quality factor from well log ...

  19. COMPARISON OF ACOUSTIC AND ELECTRICAL IMAGE LOGS FROM THE COSO...

    Open Energy Info (EERE)

    image log, but locally approach 100%. This fabric is unlikely to contribute to permeability in the reservoir. Acoustic image logs reveal a similar natural fracture population,...

  20. Pressure Temperature Log At Vale Hot Springs Area (Combs, Et...

    Open Energy Info (EERE)

    Unknown Notes Numerous temperature logs were taken with Sandia's platinum-resistance-thermometer (PRT) tool which along with a Sandia logging truck remained on-site for...

  1. Logjam: A scalable unified log file archiver

    Energy Science and Technology Software Center (OSTI)

    2001-08-01

    Log files are a necessary record of events on any system. However, as systems scale, so does the volume of data captured. To complicate matters, this data can be distributed across all nodes within the system. This creates challenges in ways to obtain these files as well as archiving them in a consistent manner. It has become commonplace to develop a custom written utility for each system that is tailored specifically to that system. Formore » computer centers that contain multiple systems, each system would have their own respective utility for gathering and archiving log files. Each time a new log file is produced, a modification to the utility is necessary. With each modification, risks of errors could be introduced as well as spending time to introduce that change. This is precisely the purpose of logjam. Once installed, the code only requires modification when new features are required. A configuration file is used to identify each log file as well as where to harvest it and how to archive it. Adding a new log file is as simple as defining it in a configuration file and testing can be performed in the production environment.« less

  2. Development of pulsed neutron uranium logging instrument

    SciTech Connect (OSTI)

    Wang, Xin-guang; Liu, Dan; Zhang, Feng

    2015-03-15

    This article introduces a development of pulsed neutron uranium logging instrument. By analyzing the temporal distribution of epithermal neutrons generated from the thermal fission of {sup 235}U, we propose a new method with a uranium-bearing index to calculate the uranium content in the formation. An instrument employing a D-T neutron generator and two epithermal neutron detectors has been developed. The logging response is studied using Monte Carlo simulation and experiments in calibration wells. The simulation and experimental results show that the uranium-bearing index is linearly correlated with the uranium content, and the porosity and thermal neutron lifetime of the formation can be acquired simultaneously.

  3. Logging of subterranean wells using coiled tubing

    SciTech Connect (OSTI)

    Pilla, J.

    1991-01-15

    This patent describes an apparatus for production logging of a well utilizing artificial lift in a wellbore. It comprises: coiled tubing extending into the wellbore having wireline electrical cable passing through a central bore thereof and having a remote end within the wellbore which end is connected to gas injector means. The wireline cable passing through the gas injector means to a flexible electrically conductive support spacer having an end portion remote from the gas injector means and logging means connected to the end portion of the support spacer.

  4. The Role of Cation-Water Disorder during Cation Exchange in Small...

    Office of Scientific and Technical Information (OSTI)

    The Role of Cation-Water Disorder during Cation Exchange in Small-Pore Zeolite Sodium Natrolite Citation Details In-Document Search Title: The Role of Cation-Water Disorder during ...

  5. Borehole Logging Methods for Exploration and Evaluation of Uranium Deposits

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

    (1967) | Department of Energy Borehole Logging Methods for Exploration and Evaluation of Uranium Deposits (1967) Borehole Logging Methods for Exploration and Evaluation of Uranium Deposits (1967) Borehole Logging Methods for Exploration and Evaluation of Uranium Deposits (1967) PDF icon Borehole Logging Methods for Exploration and Evaluation of Uranium Deposits (1967) More Documents & Publications Gamma-Ray Logging Workshop (February 1981) Grade Assignments for Models Used for

  6. Logging Calibration Models for Fission Neutron Sondes (September 1981) |

    Office of Environmental Management (EM)

    Department of Energy Logging Calibration Models for Fission Neutron Sondes (September 1981) Logging Calibration Models for Fission Neutron Sondes (September 1981) Logging Calibration Models for Fission Neutron Sondes (September 1981) PDF icon Logging Calibration Models for Fission Neutron Sondes (September 1981) More Documents & Publications A Model for Water Factor Measurements With Fission-Neutron Logging Tools (May 1983) Field Calibration Facilities for Environmental Measurement of

  7. Cationic electrodepositable coating composition comprising lignin

    DOE Patents [OSTI]

    Fenn, David; Bowman, Mark P; Zawacky, Steven R; Van Buskirk, Ellor J; Kamarchik, Peter

    2013-07-30

    A cationic electrodepositable coating composition is disclosed. The present invention in directed to a cationic electrodepositable coating composition comprising a lignin-containing cationic salt resin, that comprises (A) the reaction product of: lignin, an amine, and a carbonyl compound; (B) the reaction product of lignin, epichlorohydrin, and an amine; or (C) combinations thereof.

  8. INSPIRE and SPIRES Log File Analysis

    SciTech Connect (OSTI)

    Adams, Cole; /Wheaton Coll. /SLAC

    2012-08-31

    SPIRES, an aging high-energy physics publication data base, is in the process of being replaced by INSPIRE. In order to ease the transition from SPIRES to INSPIRE it is important to understand user behavior and the drivers for adoption. The goal of this project was to address some questions in regards to the presumed two-thirds of the users still using SPIRES. These questions are answered through analysis of the log files from both websites. A series of scripts were developed to collect and interpret the data contained in the log files. The common search patterns and usage comparisons are made between INSPIRE and SPIRES, and a method for detecting user frustration is presented. The analysis reveals a more even split than originally thought as well as the expected trend of user transition to INSPIRE.

  9. Energy Efficiency in Log Homes | Department of Energy

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

    Design » Types of Homes » Energy Efficiency in Log Homes Energy Efficiency in Log Homes Consider energy efficiency when designing or purchasing a log home. | Photo courtesy of ©iStockphoto.com/tinabelle Consider energy efficiency when designing or purchasing a log home. | Photo courtesy of ©iStockphoto.com/tinabelle Log homes may be site-built or pre-cut in a factory for delivery to the site. Some log home manufacturers can also customize their designs. Before designing or purchasing a

  10. Formation Micro-Imager Logs (FMI) | Open Energy Information

    Open Energy Info (EERE)

    Logs (FMI) Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: Formation Micro-Imager Logs (FMI) Author Shakeel Ahmed Published Publisher Not...

  11. Geophysical logging case history of the Raft River geothermal...

    Open Energy Info (EERE)

    logging case history of the Raft River geothermal system, Idaho Jump to: navigation, search OpenEI Reference LibraryAdd to library Report: Geophysical logging case history of the...

  12. Log amplifier with pole-zero compensation

    DOE Patents [OSTI]

    Brookshier, William

    1987-01-01

    A logarithmic amplifier circuit provides pole-zero compensation for improved stability and response time over 6-8 decades of input signal frequency. The amplifier circuit includes a first operational amplifier with a first feedback loop which includes a second, inverting operational amplifier in a second feedback loop. The compensated output signal is provided by the second operational amplifier with the log elements, i.e., resistors, and the compensating capacitors in each of the feedback loops having equal values so that each break point or pole is offset by a compensating break point or zero.

  13. Microsoft Word - FOIA Log FY 2001.doc

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

    1 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Yes/ 3/29/01 001 02/01/01 02/01/01 01-0021C Transfer AL Copies of all documents including studies and memoranda, which may identify or consider WIPP site in Carlsbad, NM as a potential site for storage or disposal of spent reactor fuel or high-level radioactive wastes 2. All documents including studies, memoranda, hypothesizing, considering, recommending, or suggesting the WIPP site in NM as an alternative site to the

  14. Microsoft Word - FOIA Log FY 2002.doc

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

    2 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Yes/ 1/30/02 001 12/3/02 12/21/02 Richland Transfer Richland Operation Office search for records they located documents originated by the DOE Carlsbad Field Office that may be responsive to Mr. Hongs request. By transfer of this letter they forwarded Mr. Hong request, along with the documents located at Richland to the Carlsbad FOIA Office. CBFO will respond directly to Mr. Hong with a release determination Yes/ 2/13/02

  15. Microsoft Word - FOIA Log FY 2004.doc

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

    4 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Yes 02/20/04 001 02/02/04 02/02/04 Direct Copies of my personnel records that are maintained at 401 N. Canal Street in Carlsbad, New Mexico Yes 03/29/04 002 03/24/04 03/29/04 Direct Transferred to HQ Asking for information regarding Gary K. King during DOE Secretary Bill Richardson's administration from 08//18/1998 through 02/20/2001, including: 1. Travel vouchers and official expenditures made by the United States

  16. Microsoft Word - FOIA Log FY 2007.doc

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

    7 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Finalized 02/08/07 001 10/05/06 01/08/07 Transfer from DOE- EM-CBC Copies of contract modifications, performance evaluations, task orders and task order proposals related to contract AT30-05EW03000 with Navarro Research and Engineering, Inc. Finalized 01/31/07 002 01/11/07 01/11/07 Direct For a copy of contract DE-AC04-95AL89446 for the period of September 1995 through the end of the contract. Also, if not included in

  17. Log amplifier with pole-zero compensation

    DOE Patents [OSTI]

    Brookshier, W.

    1985-02-08

    A logarithmic amplifier circuit provides pole-zero compensation for improved stability and response time over 6-8 decades of input signal frequency. The amplifer circuit includes a first operational amplifier with a first feedback loop which includes a second, inverting operational amplifier in a second feedstock loop. The compensated output signal is provided by the second operational amplifier with the log elements, i.e., resistors, and the compensating capacitors in each of the feedback loops having equal values so that each break point is offset by a compensating break point or zero.

  18. Manager's Signature Log Privacy Impact Assessment, Office of Science

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

    Chicago Office | Department of Energy Manager's Signature Log Privacy Impact Assessment, Office of Science Chicago Office Manager's Signature Log Privacy Impact Assessment, Office of Science Chicago Office Manager's Signature Log Privacy Impact Assessment, Office of Science Chicago Office PDF icon Manager's Signature Log Privacy Impact Assessment, Office of Science Chicago Office More Documents & Publications Integrated Safety Management Workshop Registration, PIA, Idaho National

  19. Well Logging Security Initiatives | Y-12 National Security Complex

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

    Well Logging Security ... Well Logging Security Initiatives The mp4 video format is not supported by this browser. Download video Captions: On Watch as GTRI demonstrates the threat to the security of (oil) well logging systems and outlines the initiatives that are enhancing the security of these sources worldwide

  20. Dual excitation acoustic paramagnetic logging tool

    DOE Patents [OSTI]

    Vail, W.B. III.

    1989-02-14

    New methods and apparatus are disclosed which allow measurement of the presence of oil and water in geological formations using a new physical effect called the Acoustic Paramagnetic Logging Effect (APLE). The presence of petroleum in formation causes a slight increase in the earth's magnetic field in the vicinity of the reservoir. This is the phenomena of paramagnetism. Application of an acoustic source to a geological formation at the Larmor frequency of the nucleons present causes the paramagnetism of the formation to disappear. This results in a decrease in the earth's magnetic field in the vicinity of the oil bearing formation. Repetitively frequency sweeping the acoustic source through the Larmor frequency of the nucleons present (approx. 2 kHz) causes an amplitude modulation of the earth's magnetic field which is a consequence of the APLE. The amplitude modulation of the earth's magnetic field is measured with an induction coil gradiometer and provides a direct measure of the amount of oil and water in the excitation zone of the formation. The phase of the signal is used to infer the longitudinal relaxation times of the fluids present, which results in the ability in general to separate oil and water and to measure the viscosity of the oil present. Such measurements may be performed in open boreholes and in cased well bores. The Dual Excitation Acoustic Paramagnetic Logging Tool employing two acoustic sources is also described. 6 figs.

  1. Dual excitation acoustic paramagnetic logging tool

    DOE Patents [OSTI]

    Vail, III, William B. (Bothell, WA)

    1989-01-01

    New methods and apparatus are disclosed which allow measurement of the presence of oil and water in gelogical formations using a new physical effect called the Acoustic Paramagnetic Logging Effect (APLE). The presence of petroleum in formation causes a slight increase in the earth's magnetic field in the vicinity of the reservoir. This is the phenomena of paramagnetism. Application of an acoustic source to a geological formation at the Larmor frequency of the nucleous present causes the paramagnetism of the formation to disappear. This results in a decrease in the earth's magnetic field in the vicinity of the oil bearing formation. Repetitively frequency sweeping the acoustic source through the Larmor frequency of the nucleons present (approx. 2 kHz) causes an amplitude modulation of the earth's magnetic field which is a consequence of the APLE. The amplitude modulation of the earth's magnetic field is measured with an induction coil gradiometer and provides a direct measure of the amount of oil and water in the excitation zone of the formation. The phase of the signal is used to infer the longitudinal relaxation times of the fluids present, which results in the ability in general to separate oil and water and to measure the viscosity of the oil present. Such measurements may be preformed in open boreholes and in cased well bores. The Dual Excitation Acoustic Paramagnetic Logging Tool employing two acoustic sources is also described.

  2. Microsoft Word - FOIA Log FY 2005.doc

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

    5 FOIA - Request Log 1 Closed/ Date No. Dated Date Rec'd HQ or Dir. Subject Yes 02/23/05 001 02/16/05 02/16/05 Direct Copies of the 2004 Modifications to the Westinghouse TRU Solutions contract (No. DE-AC- 04-01AL66444) for the management and operation of the Waste Isolation Pilot Plant. Yes 04/12/05 002 04/11/05 04/11/05 Direct Copies of the scope of work statement for the EE&G Oversight contract for the Waste Isolation Pilot Plant, dated 1999 or 2000 Yes 04/29/05 003 04/20/05 04/20/05

  3. Role of Cation-Water Disorder during Cation Exchange in Small-Pore Zeolite

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

    Sodium Natrolite | Stanford Synchrotron Radiation Lightsource Role of Cation-Water Disorder during Cation Exchange in Small-Pore Zeolite Sodium Natrolite Thursday, October 31, 2013 Structural changes leading to disordering of the cation-water arrangement within the pores of zeolite natrolite while exchanging sodium (Na+) with potassium (K+) have been investigated using x-ray diffraction (XRD) and oxygen K-edge x-ray absorption spectroscopy (XAS). cation in zeolite sodium natrolite fig1

  4. Evaluation of Emerging Technology for Geothermal Drilling and Logging

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

    Applications | Department of Energy Evaluation of Emerging Technology for Geothermal Drilling and Logging Applications Evaluation of Emerging Technology for Geothermal Drilling and Logging Applications Evaluation of Emerging Technology for Geothermal Drilling and Logging Applications presentation at the April 2013 peer review meeting held in Denver, Colorado. PDF icon sandia_evaluation_drilling_tech_peer2013.pdf More Documents & Publications Evaluation of Emerging Technology for

  5. Western tight gas sands advanced logging workshop proceedings

    SciTech Connect (OSTI)

    Jennings, J B; Carroll, Jr, H B

    1982-04-01

    An advanced logging research program is one major aspect of the Western Tight Sands Program. Purpose of this workshop is to help BETC define critical logging needs for tight gas sands and to allow free interchange of ideas on all aspects of the current logging research program. Sixteen papers and abstracts are included together with discussions. Separate abstracts have been prepared for the 12 papers. (DLC)

  6. Drag reduction in coal log pipelines

    SciTech Connect (OSTI)

    Marrero, T.R.; Liu, H.

    1996-12-31

    It is well-known that solutions of dissolved long-chain macromolecules produce lower friction or drag losses than with the solvent alone. In coal log pipeline (CLP), water is the conveying medium. Synthetic polymers such as poly(ethylene oxide) have been dissolved in water and tested for their extent of drag reduction as a function of concentration and other variables. Lab-scale experimental results for CLP indicate substantial drag reduction at low concentration levels of polymer. But, the macromolecules exhibit degradation under mechanical shear stresses. The large molecules break into smaller units. This degradation effect causes a loss of drag reduction. However, high levels of drag reduction can be maintained as follows: (1) by injecting polymer into the CLP at several locations along the pipeline, (2) by injecting polymer of different particle sizes, (3) by using more robust types of polymers, or (4) by using polymer-fiber mixtures. This report presents the value of drag-reducing agents in terms of pumping power net cost savings. In addition, this report outlines the environmental impact of drag reduction polymers, and end-of-pipeline water treatment processes. For an operating CLP, hundreds of miles in length, the use of poly(ethylene oxide) as a drag reducing agent provides significant pumping power cost savings at a minimal materials cost.

  7. Chemical Logging At Dixie Valley Geothermal Area (Los Alamos...

    Open Energy Info (EERE)

    Dixie Valley Geothermal Area (Los Alamos National Laboratory, NM, 2002) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Chemical Logging At Dixie...

  8. Energy Efficiency in Log Homes | Department of Energy

    Office of Environmental Management (EM)

    or purchasing a manufactured log home, you should consider several factors related to energy efficiency. The R-Value of Wood A material's thermal resistance or resistance to...

  9. Acoustic Logs At Coso Geothermal Area (2005) | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Acoustic Logs At Coso Geothermal Area (2005) Exploration Activity Details Location Coso...

  10. Image Logs At Coso Geothermal Area (2011) | Open Energy Information

    Open Energy Info (EERE)

    Date 2011 Usefulness useful DOE-funding Unknown Exploration Basis Determine crustul stress heterogeneity Notes Borehole induced structures in image logs of wells from the Coso...

  11. Pressure Temperature Log At Fish Lake Valley Area (DOE GTP) ...

    Open Energy Info (EERE)

    Fish Lake Valley Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Fish Lake Valley Area (DOE GTP)...

  12. Density Log At Valles Caldera - Redondo Geothermal Area (Rowley...

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log At Valles Caldera - Redondo Geothermal Area (Rowley, Et Al., 1987) Exploration...

  13. Density Log At Valles Caldera - Redondo Geothermal Area (Wilt...

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log At Valles Caldera - Redondo Geothermal Area (Wilt & Haar, 1986) Exploration...

  14. Gamma Log At Coso Geothermal Area (1977) | Open Energy Information

    Open Energy Info (EERE)

    Coso Geothermal Area (1977) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Gamma Log At Coso Geothermal Area (1977) Exploration Activity Details...

  15. Acoustic Logs At Coso Geothermal Area (1977) | Open Energy Information

    Open Energy Info (EERE)

    1977) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Acoustic Logs At Coso Geothermal Area (1977) Exploration Activity Details Location Coso...

  16. Neutron Log At Coso Geothermal Area (1977) | Open Energy Information

    Open Energy Info (EERE)

    Coso Geothermal Area (1977) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Neutron Log At Coso Geothermal Area (1977) Exploration Activity...

  17. Selecting The Optimal Logging Suite For Geothermal Reservoir...

    Open Energy Info (EERE)

    and tensile wall fractures, and were adequate to detect stratigraphic features. Density, photo-electric factor (PEF), neutron, and gamma ray (GR) logs provided sufficient...

  18. Well Log Techniques At Newberry Caldera Area (DOE GTP) | Open...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Techniques At Newberry Caldera Area (DOE GTP) Exploration Activity Details Location Newberry...

  19. Well Log Techniques At Coso Geothermal Area (1985) | Open Energy...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Techniques At Coso Geothermal Area (1985) Exploration Activity Details Location Coso Geothermal...

  20. Pressure Temperature Log At Fort Bliss Area (DOE GTP) | Open...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Fort Bliss Area (DOE GTP) Exploration Activity Details Location Fort Bliss...

  1. Pressure Temperature Log At Silver Peak Area (DOE GTP) | Open...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Silver Peak Area (DOE GTP) Exploration Activity Details Location Silver Peak...

  2. Pressure Temperature Log At Flint Geothermal Area (DOE GTP) ...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Flint Geothermal Area (DOE GTP) Exploration Activity Details Location Flint...

  3. Pressure Temperature Log At Glass Buttes Area (DOE GTP) | Open...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Glass Buttes Area (DOE GTP) Exploration Activity Details Location Glass...

  4. Well Log Data At North Brawley Geothermal Area (Matlick & Jayne...

    Open Energy Info (EERE)

    to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Data At North Brawley Geothermal Area (Matlick & Jayne, 2008) Exploration Activity Details...

  5. Well Log Data At North Brawley Geothermal Area (Edmunds & W....

    Open Energy Info (EERE)

    to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Data At North Brawley Geothermal Area (Edmunds & W., 1977) Exploration Activity Details...

  6. Well Log Data At Blue Mountain Geothermal Area (Fairbank & Niggemann...

    Open Energy Info (EERE)

    to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Data At Blue Mountain Geothermal Area (Fairbank & Niggemann, 2004) Exploration Activity...

  7. Pressure Temperature Log At Colrado Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Colrado Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Colrado Area (DOE GTP) Exploration Activity...

  8. Pressure Temperature Log At Alum Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Alum Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Alum Area (DOE GTP) Exploration Activity Details...

  9. FMI Log At Maui Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Maui Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: FMI Log At Maui Area (DOE GTP) Exploration Activity Details Location Maui...

  10. Pressure Temperature Log At Mccoy Geothermal Area (DOE GTP) ...

    Open Energy Info (EERE)

    Mccoy Geothermal Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Mccoy Geothermal Area (DOE GTP)...

  11. FMI Log At Wister Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Wister Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: FMI Log At Wister Area (DOE GTP) Exploration Activity Details Location...

  12. Pressure Temperature Log At Wister Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Wister Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Wister Area (DOE GTP) Exploration Activity...

  13. Pressure Temperature Log At Maui Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Maui Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Maui Area (DOE GTP) Exploration Activity Details...

  14. Acoustic Logs At Alum Area (Moos & Ronne, 2010) | Open Energy...

    Open Energy Info (EERE)

    tensile wall fractures, and were adequate to detect stratigraphic features. References Daniel Moos, Joel Ronne (2010) Selecting The Optimal Logging Suite For Geothermal Reservoir...

  15. Chemical logging- a geothermal technique | Open Energy Information

    Open Energy Info (EERE)

    technique Abstract Chemical logging studies conducted at the Department of Energy's Raft River Geothermal Test Site in south central Idaho resulted in the development of a...

  16. Chemical Logging At Raft River Geothermal Area (1979) | Open...

    Open Energy Info (EERE)

    Raft River Geothermal Area (1979) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Chemical Logging At Raft River Geothermal Area (1979)...

  17. Acoustic Logs At Raft River Geothermal Area (1979) | Open Energy...

    Open Energy Info (EERE)

    Raft River Geothermal Area (1979) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Acoustic Logs At Raft River Geothermal Area (1979) Exploration...

  18. Hydrophobic Moiety of Cationic Lipids Strongly Modulates Their...

    Office of Scientific and Technical Information (OSTI)

    Hydrophobic Moiety of Cationic Lipids Strongly Modulates Their Transfection Activity Citation Details In-Document Search Title: Hydrophobic Moiety of Cationic Lipids Strongly ...

  19. Opposite correlations between cation disordering and amorphization

    Office of Scientific and Technical Information (OSTI)

    resistance in spinels versus pyrochlores (Journal Article) | SciTech Connect Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores Citation Details In-Document Search Title: Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores Understanding and predicting radiation damage evolution in complex materials is crucial for developing next-generation nuclear energy sources. Here, using a

  20. Method for encapsulating and isolating hazardous cations, medium for encapsulating and isolating hazardous cations

    DOE Patents [OSTI]

    Wasserman, S.R.; Anderson, K.B.; Song, K.; Yuchs, S.E.; Marshall, C.L.

    1998-04-28

    A method for encapsulating hazardous cations is provided comprising supplying a pretreated substrate containing the cations; contacting the substrate with an organo-silane compound to form a coating on the substrate; and allowing the coating to cure. A medium for containing hazardous cations is also provided, comprising a substrate having ion-exchange capacity and a silane-containing coating on the substrate. 3 figs.

  1. Geothermal well log interpretation state of the art. Final report

    SciTech Connect (OSTI)

    Sanyal, S.K.; Wells, L.E.; Bickham, R.E.

    1980-01-01

    An in-depth study of the state of the art in Geothermal Well Log Interpretation has been made encompassing case histories, technical papers, computerized literature searches, and actual processing of geothermal wells from New Mexico, Idaho, and California. A classification scheme of geothermal reservoir types was defined which distinguishes fluid phase and temperature, lithology, geologic province, pore geometry, salinity, and fluid chemistry. Major deficiencies of Geothermal Well Log Interpretation are defined and discussed with recommendations of possible solutions or research for solutions. The Geothermal Well Log Interpretation study and report has concentrated primarily on Western US reservoirs. Geopressured geothermal reservoirs are not considered.

  2. Proceedings of the second PFN uranium logging seminar

    SciTech Connect (OSTI)

    Not Available

    1983-01-01

    The Prompt Fission Neutron (PFN) uranium logging system developed by Sandia National Laboratories for the US Department of Energy is described in some detail in papers by the staff that was involved in the final phase of the development project, and by others associated with the project as users of the logging probe or builders of some of the probe hardware. Descriptions are provided of the probe's electronic circuits, the uphole instrumentation, the log interpretation technique, field experience, neutron detection hardware, neutron generator design, life-test results, and observations by Bendix Field Engineering Corporation personnel regarding the use of the probe and its results.

  3. Image Logs At Coso Geothermal Area (2004) | Open Energy Information

    Open Energy Info (EERE)

    Coso Geothermal Region Notes During the second year of this project, wellbore logs and stress data were acquired in a new production well drilled in the Coso Geothermal Field,...

  4. Long Valley Caldera Field Trip Log | Open Energy Information

    Open Energy Info (EERE)

    to library Conference Paper: Long Valley Caldera Field Trip Log Abstract NA Authors Gene A. Suemnicht and Bastien Poux Conference NGA Long Valley Field Trip, July 5-7, 2012;...

  5. NMOCD - Form G-105 - Geothermal Resources Well Log | Open Energy...

    Open Energy Info (EERE)

    Jump to: navigation, search OpenEI Reference LibraryAdd to library General: NMOCD - Form G-105 - Geothermal Resources Well Log Author State of New Mexico Energy and Minerals...

  6. Efficiently log and perforate 60 + wells with coiled tubing

    SciTech Connect (OSTI)

    Fertl, W.H.; Hotz, R.F.

    1987-07-01

    In today's petroleum industry, more and more emphasis is being placed on logging and completion techniques for highly deviated (extended-reach) and horizontal boreholes. This is the result of cost-effective development of oil and gas via: a minimum number of production platforms on large structures, incremental but marginal reserves in outlying and/or small fault blocks, shallow reservoirs in deep offshore waters, and significant hydrocarbon accumulations in environmentally sensitive and/or restrictive areas, e.g., perma-frost, urban areas, etc. The major challenge in logging such high-angle, extended-reach, and also horizontal boreholes is guiding the logging tool string to the bottom of the wellbore. In the horizontal portion of a borehole, the use of coiled tubing has proven successful in ''pushing'' the logging instrumentation toward the bottom (end) of the borehole.

  7. JOBAID-LOGGING IN TO THE OLC LEARNING SYSTEM

    Broader source: Energy.gov [DOE]

    In this job aid you will Log In to the system, Retrieve Forgotten Password and/or User ID, and Use the LMS Help System built into the application.

  8. Fluid-Rock Characterization and Interactions in NMR Well Logging

    SciTech Connect (OSTI)

    Hirasaki, George J.; Mohanty, Kishore K.

    2003-02-10

    The objective of this project was to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. The advances made in the understanding of NMR fluid properties are summarized in a chapter written for an AAPG book on NMR well logging. This includes live oils, viscous oils, natural gas mixtures, and the relation between relaxation time and diffusivity.

  9. Fluid-Rock Characterization and Interactions in NMR Well Logging

    SciTech Connect (OSTI)

    Hirasaki, George J.; Mohanty, Kishore K.

    2003-02-10

    The objective of this project was to characterize the fluid properties and fluid-rock interactions which are needed for formation evaluation by NMR well logging. NMR well logging is finding wide use in formation evaluation. The formation parameters commonly estimated were porosity, permeability, and capillary bound water. Special cases include estimation of oil viscosity, residual oil saturation, location of oil/water contact, and interpretation on whether the hydrocarbon is oil or gas.

  10. Interaction of the cesium cation with calix[4]arene-bis(t-octylbenzo-18-crown-6): Extraction and DFT study

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Toman, Petr; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and c-activity measurements, the extraction constant corresponding to the equilibrium Cs+ (aq) + I (aq) + 1 (org),1Cs+ (org) + I (org) taking place in the two-phase water-phenyltrifluoromethyl sulfone (abbrev. FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as logKex (1Cs+, I) = 2.1 0.1. Further, the stability constant of the 1Cs+ complex in FS 13 saturated with water was calculated for a temperature of 25 C: log borg (1Cs+) = 9.9 0.1. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1Cs+ was derived. In the resulting 1Cs+ complex, the central cation Cs+ is bound by eight bond interactions to six oxygen atoms of the respective 18-crown-6 moiety and to two carbons of the corresponding two benzene rings of the parent ligand 1 via cation p interaction.

  11. Geothermometry At Coso Geothermal Area (1980) | Open Energy Informatio...

    Open Energy Info (EERE)

    DOE-funding Unknown Exploration Basis Fluid temperature of feed water Notes Cation and sulfate isotope geothermometers indicate that the reservoir feeding water to the Coso Hot...

  12. Process and apparatus for the production of BI-213 cations

    DOE Patents [OSTI]

    Horwitz, E. Philip (Naperville, IL); Hines, John J. (Newark, IL); Chiarizia, Renato (Elmhurst, IL); Dietz, Mark (Elmhurst, IL)

    1998-01-01

    A process for producing substantially impurity-free Bi-213 cations is disclosed. An aqueous acid feed solution containing Ac-225 cations is contacted with an ion exchange medium to bind the Ac-225 cations and form an Ac-225-laden ion exchange medium. The bound Ac-225 incubates on the ion exchange medium to form Bi-213 cations by radioactive decay. The Bi-213 cations are then recovered from the Ac-225-laden ion exchange medium to form a substantially impurity-free aqueous Bi-213 cation acid solution. An apparatus for carrying out this process is also disclosed.

  13. Process and apparatus for the production of Bi-213 cations

    DOE Patents [OSTI]

    Horwitz, E.P.; Hines, J.J.; Chiarizia, R.; Dietz, M.

    1998-12-29

    A process for producing substantially impurity-free Bi-213 cations is disclosed. An aqueous acid feed solution containing Ac-225 cations is contacted with an ion exchange medium to bind the Ac-225 cations and form an Ac-225-laden ion exchange medium. The bound Ac-225 incubates on the ion exchange medium to form Bi-213 cations by radioactive decay. The Bi-213 cations are then recovered from the Ac-225-laden ion exchange medium to form a substantially impurity-free aqueous Bi-213 cation acid solution. An apparatus for carrying out this process is also disclosed. 7 figs.

  14. Gamma Log At Alum Area (Moos & Ronne, 2010) | Open Energy Information

    Open Energy Info (EERE)

    Technique Gamma Log Activity Date Usefulness useful DOE-funding Unknown Notes Density, photo-electric factor (PEF), neutron, and gamma ray (GR) logs provided sufficient...

  15. Neutron Log At Alum Area (Moos & Ronne, 2010) | Open Energy Informatio...

    Open Energy Info (EERE)

    Technique Neutron Log Activity Date Usefulness useful DOE-funding Unknown Notes Density, photo-electric factor (PEF), neutron, and gamma ray (GR) logs provided sufficient...

  16. Technical evaluation of software for gamma-ray logging system

    SciTech Connect (OSTI)

    Stromswold, D.C.

    1994-05-01

    This report contains results of a technical review of software, identified as LGCALC, that processes data collected by a high-resolution gamma-ray borehole logging system. The software presently operates within Westinghouse Hanford Company, Department of Geosciences, to process data collected by the Radionuclide Logging System. The software has been reviewed for its suitability for processing data to be collected by new high-resolution gamma-ray logging trucks scheduled to begin operational tests within Westinghouse Tank Waste Remediation Systems during 1994. Examination of the program code and hands-on operational tests have shown that this software is suitable for its intended use of processing high-resolution gamma-ray data obtained from borehole logging. Most of the code requires no changes, but in a few limited cases, suggestions have been made to correct errors or improve operation. Section 4 describes these changes. The technical review has confirmed the appropriateness, correctness, completeness, and coding accuracy of algorithms used to process spectral gamma-ray data, leading to a calculation of subsurface radionuclide contaminants. Running the program with test data from calibration models has confirmed that the program operates correctly. Comparisons with hand calculations have shown the correctness of the output from the program, based on known input data. Section 3 describes these tests. The recommended action is to make the near term programming changes suggested in Section 4.1 and then use the LGCALC analysis program with the new high-resolution logging systems once they have been properly calibrated.

  17. Logging with coiled tubing less effective than with drill pipe

    SciTech Connect (OSTI)

    Van Den Bosch, R. )

    1994-01-31

    Coiled tubing offered neither economic nor operational advantages over drill pipe for conveying logging tools in open hole shallow horizontal wells in Germany. In the past 2 years, Mobil Erdgas-Erdoel GMbH (MEEG) participated in completing eight shallow horizontal wells. These were medium-to-short radius wells at measured depths of between 850 and 2,000 m. The average horizontal section was 350 m. The logging tools were conveyed by coiled tubing or drill pipe. MEEG attempted to log five wells with coiled tubing-conveyed tools, four with 1 1/2-in. tubing. Total depth was reached reliably in only one well, the shallowest and with the shortest horizontal section. Simulation programs were unreliable for calculating the downhole forces of the coil/tool combination or predicting possible helical lockups. In wells with drill pipe-conveyed logs, the tool combination could always be pushed to total depth, and the operations were generally faster and cost less than logging with coiled tubing. Also, drill pipe allowed longer and heavier tool strings. For reliable operations, coiled tubing needs to be more rigid, rig-up/rig-down times need to be improved, and the simulation programs must be more reliable for predicting downhole lock-up.

  18. Role of Cation-Water Disorder during Cation Exchange in Small...

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

    while exchanging sodium (Na+) with potassium (K+) have been investigated using x-ray diffraction (XRD) and oxygen K-edge x-ray absorption spectroscopy (XAS). cation in zeolite...

  19. Appendix A Lithologic and Monitor Well Completion Logs

    Office of Legacy Management (LM)

    A Lithologic and Monitor Well Completion Logs This page intentionally left blank WELL INSTALLATION BLANK CASING: 1.25 in. Stainless Steel 0.0 to 0.35 METHOD WELL SCREEN: 1.25 in. Stainless Steel 0.35 to 3.27 DATE DEVELOPED SUMPIEND CAP: 1.25 in. Stainless Steel 3.27 to 3.58 WATER LEVEL (FT BGS) SURFACE SEAL: LOGGED BY P. McKenzie REMARKS Drillers hit water at 5 fl: well point removed. LITHOLOGIC DESCRIPTION LOCATION SHIPROCK, NM SURFACE ELEV. ( FT NGVD) 4890.00 SITE SHIPROCK TOP OF CASING (FT)

  20. Alkaline earth cation extraction from acid solution

    DOE Patents [OSTI]

    Dietz, Mark (Elmhurst, IL); Horwitz, E. Philip (Naperville, IL)

    2003-01-01

    An extractant medium for extracting alkaline earth cations from an aqueous acidic sample solution is described as are a method and apparatus for using the same. The separation medium is free of diluent, free-flowing and particulate, and comprises a Crown ether that is a 4,4'(5')[C.sub.4 -C.sub.8 -alkylcyclohexano]18-Crown-6 dispersed on an inert substrate material.

  1. Fluid-Rock Characterization and Interactions in NMR Well Logging

    SciTech Connect (OSTI)

    George J. Hirasaki; Kishore K. Mohanty

    2005-09-05

    The objective of this report is to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. The advances made in the understanding of NMR fluid properties are summarized in a chapter written for an AAPG book on NMR well logging. This includes live oils, viscous oils, natural gas mixtures, and the relation between relaxation time and diffusivity. Oil based drilling fluids can have an adverse effect on NMR well logging if it alters the wettability of the formation. The effect of various surfactants on wettability and surface relaxivity are evaluated for silica sand. The relation between the relaxation time and diffusivity distinguishes the response of brine, oil, and gas in a NMR well log. A new NMR pulse sequence in the presence of a field gradient and a new inversion technique enables the T{sub 2} and diffusivity distributions to be displayed as a two-dimensional map. The objectives of pore morphology and rock characterization are to identify vug connectivity by using X-ray CT scan, and to improve NMR permeability correlation. Improved estimation of permeability from NMR response is possible by using estimated tortuosity as a parameter to interpolate between two existing permeability models.

  2. Dual-cone double-helical downhole logging device

    DOE Patents [OSTI]

    Yu, Jiunn S. (Albuquerque, NM)

    1984-01-01

    A broadband downhole logging device includes a double-helix coil wrapped over a dielectric support and surrounded by a dielectric shield. The device may also include a second coil longitudinally aligned with a first coil and enclosed within the same shield for measuring magnetic permeability of downhole formations and six additional coils for accurately determining downhole parameters.

  3. NREL: National Residential Efficiency Measures Database - Change Log

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

    History Change Log History Here you can view a list of changes to the National Residential Efficiency Measures Database. Version Date Description v3.0.0 3/21/13 Public Release v2.0.0 11/1/10 Public Release v1.0.0 2/26/10 Public Release v1.0.0Beta 2/18/10 DOE Lab Review

  4. Nanoheterostructure Cation Exchange: Anionic Framework Conservation

    SciTech Connect (OSTI)

    Jain, Prashant K.; Amirav, Lilac; Aloni, Shaul; Alivisatos, A. Paul

    2010-05-11

    In ionic nanocrystals the cationic sub-lattice can be replaced with a different metal ion via a fast, simple, and reversible place-exchange, allowing post-synthetic modification of the composition of the nanocrystal, while preserving its size and shape. Here, we demonstrate for the first time that during such an exchange, the anionic framework of the crystal is preserved. When applied to nanoheterostructures, this phenomenon ensures that compositional interfaces within the heterostructure are conserved throughout the transformation. For instance, a morphology composed of a CdSe nanocrystal embedded in a CdS rod (CdSe/CdS) was exchanged to a PbSe/PbS nanorod via a Cu2Se/Cu2S structure. During every exchange cycle, the seed size and position within the nanorod were preserved, as evident by excitonic features, Z-contrast imaging, and elemental line-scans. Anionic framework conservation extends the domain of cation exchange to the design of more complex and unique nanostructures.

  5. Plant rhamnogalacturonan II complexation of heavy metal cations

    DOE Patents [OSTI]

    O`Neill, M.A.; Pellerin, P.J.M.; Warrenfeltz, D.; Vidal, S.; Darvill, A.G.; Albersheim, P.

    1999-03-02

    The present invention provides rhamnogalacturonan-II (RG-II) and relates to its ability to complex specific multivalent heavy metal cations. In the presence of boric acid, RG-II monomers form dimers that are cross-linked by a borate ester. The yield of such borate ester cross-linked dimers of RG-II is enhanced in the presence of specific heavy metal cations. The present invention further relates to the utility of RG-II in assays for the detection of specific heavy metal contamination; as a reagent useful in the removal of specific heavy metal cations contaminating foods and liquids, for example, fish, wines, etc.; as a pharmaceutical composition useful as an antidote in specific heavy metal cation poisoning; as a treatment for the detoxification of specific heavy metal cations from blood and/or tissues; and in a method of remediation of waters and soils contaminated with specific heavy metal cations. 15 figs.

  6. Plant rhamnogalacturonan II complexation of heavy metal cations

    DOE Patents [OSTI]

    O'Neill, Malcolm A.; Pellerin, Patrice J. M.; Warrenfeltz, Dennis; Vidal, Stephane; Darvill, Alan G.; Albersheim, Peter

    1999-01-01

    The present invention provides rhamnogalacturonan-II (RG-II) and relates to its ability to complex specific multivalent heavy metal cations. In the presence of boric acid, RG-II monomers form dimers that are cross-linked by a borate ester. The yield of such borate ester cross-linked dimers of RG-II is enhanced in the presence of specific heavy metal cations. The present invention further relates to the utility of RG-II in assays for the detection of specific heavy metal contamination; as a reagent useful in the removal of specific heavy metal cations contaminating foods and liquids, for example, fish, wines, etc.; as a pharmaceutical composition useful as an antidote in specific heavy metal cation poisoning; as a treatment for the detoxification of specific heavy metal cations from blood and/or tissues; and in a method of remediation of waters and soils contaminated with specific heavy metal cations.

  7. Cationic Phospholipids Forming Cubic Phases: Lipoplex Structure and

    Office of Scientific and Technical Information (OSTI)

    Transfection Efficiency (Journal Article) | SciTech Connect Cationic Phospholipids Forming Cubic Phases: Lipoplex Structure and Transfection Efficiency Citation Details In-Document Search Title: Cationic Phospholipids Forming Cubic Phases: Lipoplex Structure and Transfection Efficiency The transfection activity and the phase behavior of two novel cationic O-alkyl-phosphatidylcholines, 1,2-dioleoyl-sn-glycero-3-hexylphosphocholine (C6-DOPC) and 1,2-dierucoyl-sn-glycero-3-ethylphosphocholine

  8. Hydrophobic Moiety of Cationic Lipids Strongly Modulates Their Transfection

    Office of Scientific and Technical Information (OSTI)

    Activity (Journal Article) | SciTech Connect Hydrophobic Moiety of Cationic Lipids Strongly Modulates Their Transfection Activity Citation Details In-Document Search Title: Hydrophobic Moiety of Cationic Lipids Strongly Modulates Their Transfection Activity Synthetic cationic lipids are widely used components of nonviral gene carriers, and the factors regulating their transfection efficiency are the subject of considerable interest. In view of the important role that electrostatic

  9. Enhancing Cation-Exchange Capacity of Biochar for Soil Amendment...

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

    Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search Enhancing Cation-Exchange Capacity of Biochar for Soil Amendment and Global Carbon Sequestration Oak...

  10. High voltage supply for neutron tubes in well logging applications

    DOE Patents [OSTI]

    Humphreys, D. Russell

    1989-01-01

    A high voltage supply is provided for a neutron tube used in well logging. The "biased pulse" supply of the invention combines DC and "full pulse" techniques and produces a target voltage comprising a substantial negative DC bias component on which is superimposed a pulse whose negative peak provides the desired negative voltage level for the neutron tube. The target voltage is preferably generated using voltage doubling techniques and employing a voltage source which generates bipolar pulse pairs having an amplitude corresponding to the DC bias level.

  11. A Model for Water Factor Measurements With Fission-Neutron Logging Tools

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

    (May 1983) | Department of Energy A Model for Water Factor Measurements With Fission-Neutron Logging Tools (May 1983) A Model for Water Factor Measurements With Fission-Neutron Logging Tools (May 1983) A Model for Water Factor Measurements With Fission-Neutron Logging Tools (May 1983) PDF icon A Model for Water Factor Measurements With Fission-Neutron Logging Tools (May 1983) More Documents & Publications Field Calibration Facilities for Environmental Measurement of Radium, Thorium, and

  12. Abbreviated Total-Count Logging Procedures for Use in Remedial Action

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

    (December 1982) | Department of Energy Abbreviated Total-Count Logging Procedures for Use in Remedial Action (December 1982) Abbreviated Total-Count Logging Procedures for Use in Remedial Action (December 1982) Abbreviated Total-Count Logging Procedures for Use in Remedial Action (December 1982) PDF icon Abbreviated Total-Count Logging Procedures for Use in Remedial Action (December 1982) More Documents & Publications Field Calibration Facilities for Environmental Measurement of Radium,

  13. Logging into Deltek Time & Expense (T&E) | The Ames Laboratory

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

    Logging into Deltek Time & Expense (T&E) Document Number: NA Effective Date: 07/2014

  14. Data Compendium for the Logging Test Pits at the ERDA Grand Junction

    Office of Environmental Management (EM)

    Compound (December 1975) | Department of Energy Data Compendium for the Logging Test Pits at the ERDA Grand Junction Compound (December 1975) Data Compendium for the Logging Test Pits at the ERDA Grand Junction Compound (December 1975) Data Compendium for the Logging Test Pits at the ERDA Grand Junction Compound (December 1975) PDF icon Data Compendium for the Logging Test Pits at the ERDA Grand Junction Compound (December 1975) More Documents & Publications Field Calibration Facilities

  15. Calix[4]arene-bis(t-octylbenzo-18-crown-6) as an extraordinarily effective macrocyclic receptor for the univalent thallium cation

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Toman, Petr; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and -activity measurements, the exchange extraction constant corresponding to the equilibrium Tl+ (aq) + 1 Cs+ (org) 1 Tl+ (org) + Cs+ (aq) taking place in the two-phase water phenyltrifluoromethyl sulfone (abbrev. FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as log Kex (Tl+, 1 Cs+) = 1.7 0.1. Further, the extraordinarily high stability constant of the 1 Tl+ complex in FS 13 saturated with water was calculated for a temperature of 25 C: log org(1 Tl+) = 13.1 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1 Tl+ was derived. In the resulting 1 Tl+ complex, the central cation Tl+ is bound by eight bond interactions to six oxygen atoms from the respective 18-crown-6 moiety and to two carbons of the corresponding two benzene rings of the parent receptor 1 via cation interaction.

  16. Chemical Geothermometers And Mixing Models For Geothermal Systems...

    Open Energy Info (EERE)

    to outline favorable places to explore for geothermal energy. Some of the qualitative methods, such as the delineation of mercury and helium anomalies in soil gases, do not...

  17. Method for the chromatographic separation of cations from aqueous samples

    DOE Patents [OSTI]

    Horwitz, E.P.; Chiarizia, R.; Dietz, M.L.

    1998-12-22

    An extraction chromatographic material is described for extracting metal cations from a liquid stream. The extraction chromatographic material is prepared by adsorbing a diesterified methane-diphosphonic acid on an inert particulate support. 7 figs.

  18. Method for the chromatographic separation of cations from aqueous samples

    DOE Patents [OSTI]

    Horwitz, E. Philip (Naperville, IL); Chiarizia, Renato (Elmhurst, IL); Dietz, Mark L. (Evanston, IL)

    1997-01-01

    An extraction chromatographic material for extracting metal cations from a iquid stream. The extraction chromatographic material is prepared by adsorbing a diesterified methanediphosphonic acid on an inert particulate support.

  19. Method for the chromatographic separation of cations from aqueous samples

    DOE Patents [OSTI]

    Horwitz, E.P.; Chiarizia, R.; Dietz, M.L.

    1997-07-29

    An extraction chromatographic material is described for extracting metal cations from a liquid stream. The extraction chromatographic material is prepared by adsorbing a diesterified methanediphosphonic acid on an inert particulate support. 7 figs.

  20. Method for the chromatographic separation of cations from aqueous samples

    DOE Patents [OSTI]

    Horwitz, E. Philip (Naperville, IL); Chiarizia, Renato (Elmhurst, IL); Dietz, Mark L. (Evanston, IL)

    1998-12-22

    An extraction chromatographic material for extracting metal cations from a liquid stream. The extraction chromatographic material is prepared by adsorbing a diesterified methanediphosphonic acid on an inert particulate support.

  1. Combined Quantum Chemical/Raman Spectroscopic Analyses of Li+ Cation

    Office of Scientific and Technical Information (OSTI)

    Solvation: Cyclic Carbonate Solvents - Ethylene Carbonate and Propylene Earbonate (Journal Article) | SciTech Connect Combined Quantum Chemical/Raman Spectroscopic Analyses of Li+ Cation Solvation: Cyclic Carbonate Solvents - Ethylene Carbonate and Propylene Earbonate Citation Details In-Document Search Title: Combined Quantum Chemical/Raman Spectroscopic Analyses of Li+ Cation Solvation: Cyclic Carbonate Solvents - Ethylene Carbonate and Propylene Earbonate Combined computational/Raman

  2. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Characterization of Selective Binding of Alkali Cations with Carboxylate Print Wednesday, 24 September 2008 00:00 During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of

  3. Nonprofit Organizations: Have Your Los Alamos Employees/Retirees Log Hours

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

    in VolunteerMatch Nonprofit Organizations: Have Your Los Alamos Employees/Retirees Log Hours in VolunteerMatch Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue:Mar. 2016 all issues All Issues » submit Nonprofit Organizations: Have Your Los Alamos Employees/Retirees Log Hours in VolunteerMatch Lab employees and retirees should log their VolunteerMatch hours to benefit local nonprofits. March 1, 2013 Volunteers help fill sandbags

  4. Calibration models for density borehole logging - construction report

    SciTech Connect (OSTI)

    Engelmann, R.E.; Lewis, R.E.; Stromswold, D.C.

    1995-10-01

    Two machined blocks of magnesium and aluminum alloys form the basis for Hanford`s density models. The blocks provide known densities of 1.780 {plus_minus} 0.002 g/cm{sup 3} and 2.804 {plus_minus} 0.002 g/cm{sup 3} for calibrating borehole logging tools that measure density based on gamma-ray scattering from a source in the tool. Each block is approximately 33 x 58 x 91 cm (13 x 23 x 36 in.) with cylindrical grooves cut into the sides of the blocks to hold steel casings of inner diameter 15 cm (6 in.) and 20 cm (8 in.). Spacers that can be inserted between the blocks and casings can create air gaps of thickness 0.64, 1.3, 1.9, and 2.5 cm (0.25, 0.5, 0.75 and 1.0 in.), simulating air gaps that can occur in actual wells from hole enlargements behind the casing.

  5. Fluid-Rock Characterization and Interactions in NMR Well Logging

    SciTech Connect (OSTI)

    Hirasaki, George J.; Mohanty, Kishore, K.

    2001-07-13

    The objective of this project is to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. This is the first annual progress report submitted to the DOE. It reports on the work completed during the reporting period even if it may have started before this period. This project is a partnership between Professor George J. Hirasaki at Rice University and Professor Kishore Mohanty at University of Houston. In addition to the DOE, this project is supported by a consortium of oil companies and service companies. The fluid properties characterization has emphasized the departure of live oils from correlations based on dead oils. Also, asphaltic components can result in a difference between the T1 and T2 relaxation time distributions as well as reduce the hydrogen index. The fluid rock characterizations that are reported here are the effects of wettability and internal magnetic field gradients. A pore reconstruction method ha s been developed to recreate three-dimensional porous media from two-dimensional images that reproduce some of their key statistical properties. A Monte Carlo simulation technique has been developed to calculate the magnetization decay in fluid saturated porous media given their pore structure.

  6. Resistivity Log At Fort Bliss Area (Combs, Et Al., 1999) | Open...

    Open Energy Info (EERE)

    well. A suite of geophysical logs (gamma ray, neutron, sonic, and resistivity) was also run after completion of drilling. References Jim Combs, John T. Finger, Colin Goranson,...

  7. Gamma Log At Fort Bliss Area (Combs, Et Al., 1999) | Open Energy...

    Open Energy Info (EERE)

    well. A suite of geophysical logs (gamma ray, neutron, sonic, and resistivity) was also run after completion of drilling. References Jim Combs, John T. Finger, Colin Goranson,...

  8. Neutron Log At Fort Bliss Area (Combs, Et Al., 1999) | Open Energy...

    Open Energy Info (EERE)

    well. A suite of geophysical logs (gamma ray, neutron, sonic, and resistivity) was also run after completion of drilling. References Jim Combs, John T. Finger, Colin Goranson,...

  9. Density Log at Fish Lake Valley Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Fish Lake Valley Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Fish Lake Valley Area (DOE GTP) Exploration...

  10. Resistivity Log At Fish Lake Valley Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    Fish Lake Valley Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Resistivity Log At Fish Lake Valley Area (DOE GTP) Exploration...

  11. FMI Log At New River Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: FMI Log At New River Area (DOE GTP) Exploration Activity Details Location New River Area...

  12. Density Log at Gabbs Valley Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Gabbs Valley Area (DOE GTP) Exploration Activity Details Location Gabbs Valley...

  13. Density Log at Fort Bliss Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Fort Bliss Area (DOE GTP) Exploration Activity Details Location Fort Bliss...

  14. Density Log at Silver Peak Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Silver Peak Area (DOE GTP) Exploration Activity Details Location Silver Peak...

  15. Density Log at Alum Area (Moos & Ronne, 2010) | Open Energy Informatio...

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Density Log at Alum Area (Moos & Ronne, 2010) Exploration Activity Details Location Alum...

  16. Well Log Techniques At Snake River Plain Region (DOE GTP) | Open...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Well Log Techniques At Snake River Plain Region (DOE GTP) Exploration Activity Details Location Snake...

  17. Pressure Temperature Log At Soda Lake Area (DOE GTP) | Open Energy...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Pressure Temperature Log At Soda Lake Area (DOE GTP) Exploration Activity Details Location Soda Lake...

  18. FMI Log At Glass Buttes Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Glass Buttes Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: FMI Log At Glass Buttes Area (DOE GTP) Exploration Activity Details...

  19. Gamma Log At Flint Geothermal Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Flint Geothermal Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Gamma Log At Flint Geothermal Area (DOE GTP) Exploration Activity...

  20. Gamma Log At Silver Peak Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Silver Peak Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Gamma Log At Silver Peak Area (DOE GTP) Exploration Activity Details...

  1. Resistivity Log At Fort Bliss Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Resistivity Log At Fort Bliss Area (DOE GTP) Exploration Activity Details Location Fort...

  2. Neutron Log At Silver Peak Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    Silver Peak Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Neutron Log At Silver Peak Area (DOE GTP) Exploration Activity Details...

  3. Acoustic Logs At The Needles Area (DOE GTP) | Open Energy Information

    Open Energy Info (EERE)

    The Needles Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Acoustic Logs At The Needles Area (DOE GTP) Exploration Activity...

  4. Resistivity Log At The Needles Area (DOE GTP) | Open Energy Informatio...

    Open Energy Info (EERE)

    The Needles Area (DOE GTP) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Resistivity Log At The Needles Area (DOE GTP) Exploration Activity...

  5. Well Log Data At Dixie Valley Geothermal Area (Mallan, Et Al...

    Open Energy Info (EERE)

    conducted to help characterize the geothermal reservoir by employing electromagnetic induction logging. The goal was to discern subsurface features that are useful in geothermal...

  6. Well Log Data At Dixie Valley Geothermal Area (Barton, Et Al...

    Open Energy Info (EERE)

    Exploration Basis Well log data was used to investigate the relationship between permeability and the contemporary in situ stress field in the Dixie Valley Geothermal Reservoir....

  7. Cross-Dipole Acoustic Log At Alum Area (Moos & Ronne, 2010) ...

    Open Energy Info (EERE)

    oriented in the strike direction of the fault and of the dipping sediments. References Daniel Moos, Joel Ronne (2010) Selecting The Optimal Logging Suite For Geothermal Reservoir...

  8. Cation Uptake and Allocation by Red Pine Seedlings under Cation-Nutrient Stress in a Column Growth Experiment

    SciTech Connect (OSTI)

    Shi, Zhenqing; Balogh-Brunstad, Zsuzsanna; Grant, Michael R.; Harsh, James B.; Gill, Richard; Thomashow, Linda; Dohnalkova, Alice; Stacks, Daryl; Letourneau, Melissa; Keller, Chester K.

    2014-01-10

    Background and Aims Plant nutrient uptake is affected by environmental stress, but how plants respond to cation-nutrient stress is poorly understood. We assessed the impact of varying degrees of cation-nutrient limitation on cation uptake in an experimental plant-mineral system. Methods Column experiments, with red pine (Pinus resinosa Ait.) seedlings growing in sand/mineral mixtures, were conducted for up to nine months under a range of Ca- and K-limited conditions. The Ca and K were supplied from both minerals and nutrient solutions with varying Ca and K concentrations. Results Cation nutrient stress had little impact on carbon allocation after nine months of plant growth and K was the limiting nutrient for biomass production. The Ca/Sr and K/Rb ratio results allowed independent estimation of dissolution incongruency and discrimination against Sr and Rb during cation uptake processes. The fraction of K in biomass from biotite increased with decreasing K supply from nutrient solutions. The mineral anorthite was consistently the major source of Ca, regardless of nutrient treatment. Conclusions Red pine seedlings exploited more mineral K in response to more severe K deficiency. This did not occur for Ca. Plant discrimination factors must be carefully considered to accurately identify nutrient sources using cation tracers.

  9. Organo-Lewis acid as cocatalyst for cationic homogeneous Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, Tobin J. (Evanston, IL); Chen, You-Xian (Chicago, IL)

    1999-01-01

    A cationic metallocene complex with trisperfluorobiphenyl borate for use as a polymerization catalyst.

  10. In situ remediation process using divalent metal cations

    DOE Patents [OSTI]

    Brady, Patrick V.; Khandaker, Nadim R.; Krumhansl, James L.; Teter, David M.

    2004-12-14

    An in situ process for treating ambient solid materials (e.g., soils, aquifer solids, sludges) by adding one or more divalent metal cations to the ambient solid material. The added divalent metal cations, such as Cu.sup.2+ or Zn.sup.2+, combine with metal oxide/hydroxides (e.g., ferric oxide/hydroxide or aluminum oxide/hydroxide) already present in the ambient solid material to form an effective sorbent material having a large number of positively-charged surface complexes that binds and immobilizes anionic contaminant species (e.g., arsenic or chromate). Divalent metal cations can be added, for example, by injecting an aqueous solution of CuSO.sub.4 into an aquifer contaminated with arsenic or chromate. Also, sludges can be stabilized against leaching of anionic contaminants through the addition of divalent metal cations. Also, an inexpensive sorbent material can be easily formed by mixing divalent metal cations with soil that has been removed from the ground.

  11. Geochemical Techniques | Open Energy Information

    Open Energy Info (EERE)

    Geothermometers Multicomponent Geothermometers Silica Geothermometers Thermal Ion Dispersion Thermochronometry References General References Technical References No exploration...

  12. Bistability of Cation Interstitials in II-VI Semiconductors

    SciTech Connect (OSTI)

    Wei, S. H.; Dalpian, G. M.

    2005-11-01

    The stability of cation interstitials in II-VI semiconductors is studied using ab initio methods. We find that interstitials in the neutral charge state are more stable in the tetrahedral interstitial site near the cation, whereas in the (2+) charge state, they are more stable near the anion. The diffusion energy barrier changes when the defect charge state changes. Therefore, if electrons/holes are taken from the defect level by light, changing its charge state, the interstitial atom will be able to diffuse almost spontaneously due to a reduced diffusion barrier.

  13. TMACS test procedure TP005: Sensor configuration, logging, and data conversion. Revision 4

    SciTech Connect (OSTI)

    Washburn, S.J.

    1994-08-25

    The TMACS Software Project Test Procedures translate the project`s acceptance criteria into test steps. Software releases are certified when the affected Test Procedures are successfully performed and the customers authorize installation of these changes. This Test Procedure addresses the sensor configuration, conversion and logging requirements of the TMACS. The features to be tested are as follows: sensor configuration data; conversion of continuous sensor data to engineering units; conversion of digital data to discrete states; discrete sensor data logging; and continuous sensor data logging.

  14. Property:Building/SPPurchasedEngyNrmlYrMwhYrLogs | Open Energy...

    Open Energy Info (EERE)

    Datasets Community Login | Sign Up Search Property Edit with form History Property:BuildingSPPurchasedEngyNrmlYrMwhYrLogs Jump to: navigation, search This is a property of type...

  15. Temperatures and Natural Gamma-Ray Logs Obtained in 1986 from...

    Open Energy Info (EERE)

    of the formation to absorb injected fluid after the well was completed. Changes in temperature logs run in July and September appear to result from fluid loss to the...

  16. Lithology and well log study of Campbell E-2 geothermal test...

    Open Energy Info (EERE)

    well log study of Campbell E-2 geothermal test well, Humboldt House geothermal prospect, Pershing County, Nevada Jump to: navigation, search OpenEI Reference LibraryAdd to library...

  17. Method for determining formation quality factor from well log data and its

    Office of Scientific and Technical Information (OSTI)

    application to seismic reservoir characterization (Patent) | SciTech Connect Patent: Method for determining formation quality factor from well log data and its application to seismic reservoir characterization Citation Details In-Document Search Title: Method for determining formation quality factor from well log data and its application to seismic reservoir characterization A method for seismic characterization of subsurface Earth formations includes determining at least one of

  18. Method for determining formation quality factor from well log data and its

    Office of Scientific and Technical Information (OSTI)

    application to seismic reservoir characterization (Patent) | SciTech Connect Patent: Method for determining formation quality factor from well log data and its application to seismic reservoir characterization Citation Details In-Document Search Title: Method for determining formation quality factor from well log data and its application to seismic reservoir characterization × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's

  19. Organo-Lewis acid as cocatalyst for cationic homogeneous Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, T.J.; Chen, Y.X.

    1999-01-05

    A cationic metallocene complex with trisperfluorobiphenyl borate is described for use as a polymerization catalyst. 7 figs.

  20. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Print During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of selective ion interactions in biology; there are many others also vital to life. The existence of these interactions

  1. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Print During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of selective ion interactions in biology; there are many others also vital to life. The existence of these interactions

  2. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Print During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of selective ion interactions in biology; there are many others also vital to life. The existence of these interactions

  3. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Print During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of selective ion interactions in biology; there are many others also vital to life. The existence of these interactions

  4. Characterization of Selective Binding of Alkali Cations with Carboxylate

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

    Characterization of Selective Binding of Alkali Cations with Carboxylate Print During its lifetime, a cell spends a considerable fraction of its energy pumping sodium and calcium out and potassium in. This balancing process is similar to that found in the coils of the DNA double helix, where specific ions nestle and help stabilize this macromolecule. These are only two examples of selective ion interactions in biology; there are many others also vital to life. The existence of these interactions

  5. Advective (heat sweep) geothermal systems | Open Energy Information

    Open Energy Info (EERE)

    temperatures can be predicted from the unchecked application of cation-based Na-K-Ca geo-thermometers. This study shows that in half of the prospects fully equilibrated...

  6. Evaluation of Simple Causal Message Logging for Large-Scale Fault Tolerant HPC Systems

    SciTech Connect (OSTI)

    Bronevetsky, G; Meneses, E; Kale, L V

    2011-02-25

    The era of petascale computing brought machines with hundreds of thousands of processors. The next generation of exascale supercomputers will make available clusters with millions of processors. In those machines, mean time between failures will range from a few minutes to few tens of minutes, making the crash of a processor the common case, instead of a rarity. Parallel applications running on those large machines will need to simultaneously survive crashes and maintain high productivity. To achieve that, fault tolerance techniques will have to go beyond checkpoint/restart, which requires all processors to roll back in case of a failure. Incorporating some form of message logging will provide a framework where only a subset of processors are rolled back after a crash. In this paper, we discuss why a simple causal message logging protocol seems a promising alternative to provide fault tolerance in large supercomputers. As opposed to pessimistic message logging, it has low latency overhead, especially in collective communication operations. Besides, it saves messages when more than one thread is running per processor. Finally, we demonstrate that a simple causal message logging protocol has a faster recovery and a low performance penalty when compared to checkpoint/restart. Running NAS Parallel Benchmarks (CG, MG and BT) on 1024 processors, simple causal message logging has a latency overhead below 5%.

  7. Calibration models for measuring moisture in unsaturated formations by neutron logging

    SciTech Connect (OSTI)

    Engelman, R.E.; Lewis, R.E.; Stromswold, D.C.

    1995-10-01

    Calibration models containing known amounts of hydrogen have been constructed to simulate unsaturated earth formations for calibrating neutron well logging tools. The models are made of dry mixtures of hydrated alumina (Al(OH){sub 3}) with either silica sand (SiO{sub 2}) or aluminum oxide (Al{sub 2}O{sub 3}). Hydrogen in the hydrated alumina replaces the hydrogen in water for neutron scattering, making it possible to simulate partially saturated formations. The equivalent water contents for the models are 5%, 12%, 20%, and 40% by volume in seven tanks that have a diameter of 1.5 m and a height of 1.8 m. Steel casings of inside diameter 15.4 cm (for three models) and diameter 20.3 cm (for four models) allow logging tool access to simulate logging through cased boreholes.

  8. E-print Network Web Log News: Research Communications for Scientists and

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

    Engineers Website Policies and Important Links E-print Web Log E-print Network News E-print Network About Search Browse by Discipline Find Scientific Societies Receive E-print Alerts Contact Us Help Home OSTI DOE Science.gov Description This Web Log provides the latest information about changes to E-print Network - its content, features, and functionality - as well as news or information of interest regarding e-print information in general. Please provide your comments, questions, concerns

  9. Moab Project Safely Logs 2 Million Work Hours | Department of Energy

    Energy Savers [EERE]

    Safely Logs 2 Million Work Hours Moab Project Safely Logs 2 Million Work Hours March 12, 2014 - 12:00pm Addthis Empty containers on haul trucks are being loaded with mill tailings. Empty containers on haul trucks are being loaded with mill tailings. Media Contacts Donald Metzler, Moab Federal Project Director, (970) 257-2115 Wendee Ryan, S&K Aerospace Public Affairs Manager, (970) 257-2145 (Grand Junction, CO) - The number 1,584 may not mean much to most people, but for the workers on the

  10. Borehole induction logging for the Dynamic Underground Stripping Project LLNL gasoline spill site

    SciTech Connect (OSTI)

    Boyd, S.; Newmark, R.; Wilt, M.

    1994-01-21

    Borehole induction logs were acquired for the purpose of characterizing subsurface physical properties and monitoring steam clean up activities at the Lawrence Livermore National Laboratory. This work was part of the Dynamic Underground Stripping Project`s demonstrated clean up of a gasoline spin. The site is composed of unconsolidated days, sands and gravels which contain gasoline both above and below the water table. Induction logs were used to characterize lithology, to provide ``ground truth`` resistivity values for electrical resistance tomography (ERT), and to monitor the movement of an underground steam plume used to heat the soil and drive volatile organic compounds (VOCs) to the extraction wells.

  11. Spontaneous Superlattice Formation in Nanorods through PartialCation Exchange

    SciTech Connect (OSTI)

    Robinson, Richard D.; Sadtler, Bryce; Demchenko, Denis O.; Erdonmez, Can K.; Wang, Lin-Wang; Alivisatos, A. Paul

    2007-03-14

    Lattice mismatch strains are widely known to controlnanoscale pattern formation in heteroepitaxy, but such effects have notbeen exploited in colloidal nanocrystal growth. We demonstrate acolloidal route to synthesizing CdS-Ag2S nanorod superlattices throughpartial cation exchange. Strain induces the spontaneous formation ofperiodic structures. Ab initio calculations of the interfacial energy andmodeling of strain energies show that these forces drive theself-organization. The nanorod superlattices exhibit high stabilityagainst ripening and phase mixing. These materials are tunablenear-infrared emitters with potential applications as nanometer-scaleoptoelectronic devices.

  12. ENERGY COMMISSION APPL.lCATION FOR SOURCE MATERIAL LICENSE

    Office of Legacy Management (LM)

    COMMISSION APPL.lCATION FOR SOURCE MATERIAL LICENSE Pursuant to the rcgu!ations in Title 10, Code of Federal Regulations, Chapter 1, Part 40, application is hereby made for a license to receive, possess, use, transfer, deliver or import into the United Stat-, source material for the activity or activities described. 1. (check ooa) 2. NAME OF APPLICANT W. R. GRACE 6 Co. 0 (a) New Iicense 0 (b) Amendment to License No.- Davison Chemical Division STA-422 3. Q (c) Renewal of Licensr No. 0 (d)

  13. Outage Log

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

    10:00 - 16:50. No user impact was expected. These switches provide connectivity for the meta-data servers for homes, common, project, syscomm, dna and projectb. 111115 9:00...

  14. Log Summarization

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

    ... analysis 22, financial time series prediction 23, and biological data sampling 24. ... Kelly 34 proposes how to use queuing theory observations to distinguish performance ...

  15. Idaho National Laboratory PCB Annual Document Log and Annual Records Report for calendar year 2014

    SciTech Connect (OSTI)

    Layton, Deborah L.

    2015-06-01

    The requirements for the reporting of polychlorinated biphenyl (PCB)-related activities are found in 40 Code of Federal Regulations (CFR) 761 Subpart J, "General Records and Reports." The PCB Annual Document Log is a detailed record of the PCB waste handling activities at the facility. The facility must prepare it each year by July 1 and maintain it at the facility for at least 3 years after the facility ceases using or storing PCBs and PCB items. While submittal of the PCB Annual Document Log to the U.S. Environmental Protection Agency (EPA) is not required by regulation, EPA has verbally requested in telephone conversations that this report be submitted to them on an annual basis. The Annual Records are not required to be submitted to EPA and are not considered to be part of the Annual Document Log, but are included to provide the complete disposition history or status of all PCB activities during the year. The Annual Document Log section of this report (Section 2.0) meets the requirements of 40 CFR 761.180(a)(2), as applicable, while the Annual Records section (Section 3.0) meets the requirement of 40 CFR 761.180(a)(1).

  16. Nitrogen-doped zirconia: A comparison with cation stabilized zirconia

    SciTech Connect (OSTI)

    Lee, Jong-Sook . E-mail: jong-sook.lee@fkf.mpg.de; Lerch, Martin; Maier, Joachim

    2006-01-15

    The conductivity behavior of nitrogen-doped zirconia is compared with that of zirconia doped with lower-valent cations and discussed in the framework of defect-defect interactions. While nominally introducing the same number of vacancies as yttrium, nitrogen dopants introduced in the anion sublattice of zirconia lead to substantially different defect kinetics and energetics. Compared to the equivalent yttrium doping nitrogen doping in the Y-Zr-O-N system substantially increases the activation energy and correspondingly decreases the conductivity at temperatures below 500{sup -}bar C in the vacancy range below 4mol%. The comparison of N-doped zirconia and zirconia systems doped with size-matched cation stabilizers, such as Sc, Yb and Y, shows that elastically driven vacancy-vacancy ordering interactions can phenomenologically account for the temperature- and composition-dependence. It is striking that materials with superior high-temperature conductivities due to weak dopant-vacancy interactions undergo severe deterioration at low temperature due to the strong vacancy-ordering. The analysis also explains qualitatively similar effects of Y co-doping in Yb-, Sc-, and N-doped zirconia. Small amount of Y in N-doped zirconia as well as in Sc-doped zirconia appears to hinder the formation of the long-range ordered phase and thus enhance the conductivity substantially.

  17. Cation-exchange fiber reduces iron oxide leakage

    SciTech Connect (OSTI)

    MacClure, S.L.

    1993-10-01

    This article describes how addition of new fiber in powdered-resin precoat improves demineralizer crud-retention capability and reduces disposal cost for radioactive spent resin. Various attempts have been made to reduce the concentrations of iron oxide at the outlet of filter/demineralizer (FTD) vessels. Each vessel is fitted with an array of tubular septa that are precoated with powdered ion-exchange resin. The coatings perform filtering and ion-exchange actions on incoming feedwater, removing both suspended and dissolved solids. Experience at Duane Arnold Energy Center (CAED) indicates that use of a powdered-resin precoat containing cation-exchange fibers rather than cellulose fibers can reduce iron oxide levels in FTD effluent significantly.

  18. Separation of certain carboxylic acids utilizing cation exchange membranes

    DOE Patents [OSTI]

    Chum, Helena L. (Arvada, CO); Sopher, David W. (Maarssenbroek, NL)

    1984-01-01

    A method of substantially separating monofunctional lower carboxylic acids from a liquid mixture containing the acids wherein the pH of the mixture is adjusted to a value in the range of from about 1 to about 5 to form protonated acids. The mixture is heated to an elevated temperature not greater than about 100.degree. C. and brought in contact with one side of a perfluorinated cation exchange membrane having sulfonate or carboxylate groups or mixtures thereof with the mixture containing the protonated acids. A pressure gradient can be established across the membrane with the mixture being under higher pressure, so that protonated monofunctional lower carboxylic acids pass through the membrane at a substantially faster rate than the remainder of the mixture thereby substantially separating the acids from the mixture.

  19. Kinetics for Tautomerizations and Dissociations of Triglycine Radical Cations

    SciTech Connect (OSTI)

    Siu, Chi-Kit; Zhao, Junfang; Laskin, Julia; Chu, Ivan K.; Hopkinson, Alan C.; Siu , K W Michael

    2009-06-01

    Fragmentations of tautomers of the α-centered radical triglycine radical cation, [GGG*]+, [GG*G]+, and [G*GG]+, are charge-driven, giving b-type ions; these are processes that are facilitated by a mobile proton, as in the fragmentation of protonated triglycine (Rodriquez, C.F. et al. J. Am. Chem. Soc. 2001, 123, 3006 - 3012). By contrast, radical centers are less mobile. Two mechanisms have been examined theoretically utilizing density functional theory and Rice-Ramsperger-Kassel-Marcus modeling: (1) a direct hydrogen-atom migration between two α-carbons, and (2) a two-step proton migration involving a canonical [GGG]*+ as an intermediate. Predictions employing the latter mechanism are in good agreement with results of recent CID experiments (Chu, I.K. et al. J. Am. Chem. Soc. 2008, 130, 7862 - 7872).

  20. Correction of steel casing effect for density log using numerical and experimental methods in the slim borehole

    SciTech Connect (OSTI)

    Hwang, Seho; Shin, Jehyun; Kim, Jongman; Won, Byeongho

    2015-03-10

    Density log is widely applied for a variety of fields such as the petroleum exploration, mineral exploration, and geotechnical survey. The logging condition of density log is normally open holes but there are frequently cased boreholes. The primary calibration curve by slim hole logging manufacturer is normally the calibration curves for the variation of borehole diameter. In this study, we have performed the correction of steel casing effects using numerical and experimental methods. We have performed numerical modeling using the Monte Carlo N-Particle (MCNP) code based on Monte Carlo method, and field experimental method from open and cased hole log. In this study, we used the FDGS (Formation Density Gamma Sonde) for slim borehole with a 100 mCi 137Cs source, three inch borehole and steel casing. The casing effect between numerical and experimental method is well matched.

  1. Log-ratio signal-processing technique for beam position monitors

    SciTech Connect (OSTI)

    Shafer, R.E.

    1993-01-01

    Two basic signal-processing techniques are presently in wide use for the processing of signals from beam position monitors (BPMs); difference-over-sum, and amplitude-modulation-to-phase-modulation (AM-PM) conversion. Difference-over-sum offers simplicity and low cost, but poor real-time normalized response and amplitude dynamic range. AM-PM offers fast real-time response and large dynamic range, but is costly and difficult to implement. Logarithmic-ratio processing, a technique using newly available inexpensive hybrid circuits, appears to offer the advantages of both, and the disadvantages of neither. This paper reviews the features techniques, and highlights the features of the log-ratio technique. Among the advantages of log-ratio is a beam-displacement response linearity that is superior to either difference-over-sum or AM-PM for circular-aperture BPMs.

  2. Log-ratio signal-processing technique for beam position monitors

    SciTech Connect (OSTI)

    Shafer, R.E.

    1993-02-01

    Two basic signal-processing techniques are presently in wide use for the processing of signals from beam position monitors (BPMs); difference-over-sum, and amplitude-modulation-to-phase-modulation (AM-PM) conversion. Difference-over-sum offers simplicity and low cost, but poor real-time normalized response and amplitude dynamic range. AM-PM offers fast real-time response and large dynamic range, but is costly and difficult to implement. Logarithmic-ratio processing, a technique using newly available inexpensive hybrid circuits, appears to offer the advantages of both, and the disadvantages of neither. This paper reviews the features techniques, and highlights the features of the log-ratio technique. Among the advantages of log-ratio is a beam-displacement response linearity that is superior to either difference-over-sum or AM-PM for circular-aperture BPMs.

  3. Quantification of Wellbore Leakage Risk Using Non-destructive Borehole Logging Techniques

    SciTech Connect (OSTI)

    Duguid, Andrew; Butsch, Robert; Cary, J.; Celia, Michael; Chugunov, Nikita; Gasda, Sarah; Hovorka, Susan; Ramakrishnan, T. S.; Stamp, Vicki; Thingelstad, Rebecca; Wang, James

    2014-08-29

    Well integrity is important at all potential CCS locations and may play a crucial role establishing leakage risk in areas where there is a high density of existing wells that could be impacted by the storage operations including depleted petroleum fields where EOR or CCS will occur. To address a need for risk quantification methods that can be directly applied to individual wells using borehole logging tools a study was conducted using data from five wells in Wyoming. The objectives of the study were: Objective 1: Develop methods to establish the baseline flow parameters (porosity and permeability or mobility) from individual measurements of the material properties and defects in a well. Objective 2: Develop a correlation between field flow-property data and cement logs that can be used to establish the flow-properties of well materials and well features using cement mapping tools. Objective 3: Establish a method that uses the flow-property model (Objective 2) to analyze the statistical uncertainties associated with individual well leakage that can provide basis for uncertainty in risk calculations. The project objectives were met through the logging of five wells in Carbon and Natrona County Wyoming to collect data that was used to estimate individual and average well flow properties and model the results using ultrasonic data collected during the logging. Three of the five wells provided data on point and average flow properties for well annuli. Data from the other two wells were used to create models of cement permeability and test whether information collected in one well could be used to characterize another well. The results of the in-situ point measurements were confirmed by the lab measurements sidewall cores collected near the same depths Objective 1 was met using the data collected through logging, testing, and sampling. The methods were developed that can establish baseline flow parameters of wells by both point and average test methods. The methods to estimate the flow properties modeling of point pressure tests, modeling of vertical interference tests, and laboratory measurement of cased-hole sidewall cores The wells were in sufficiently good shape to allow the development of the characterization methods while still having enough defects to study differences in results as they relate to well integrity. Samples and tests analyzed from three of five wells studied in showed the cements were largely intact and had not degraded from exposure native brines. Log results taken in conjunction with the core measurements indicate that interfaces and/or problems with cement placement due to eccentering provide preferential flow paths for fluids, which can increase the effective permeability of the barrier several orders of magnitude above the permeability of intact cement. The results of the maps created using logging tools indicating that the cement condition and bond are generally good identify a need for more research to understand how logs can be used to predicteffective well permeabilities such as those measured by the VITs in this study.

  4. Evaluation of Non-Nuclear Techniques for Well Logging: Final Report

    SciTech Connect (OSTI)

    Bond, Leonard J.; Griffin, Jeffrey W.; Harris, R. V.; Denslow, Kayte M.; Moran, Traci L.

    2011-08-01

    The focus of this study is the understanding of the technical obstacles that hinder the replacement of and the disadvantages from the loss of extensive interpretation experience based on data accumulated with AmBe. Enhanced acoustic and electromagnetic sensing methods in combination with non-isotope-based well logging techniques have the potential to complement and/or replace existing isotope-based techniques, providing the opportunity to reduce oil industry dependence on isotopic sources such as AmBe.

  5. A Statistical Characterization of School Bus Drive Cycles Collected via Onboard Logging Systems

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

    ____________________________________ 2013-01-2400 Published 09/24/2013 doi:10.4271/2013-01-2400 saecomveh.saejournals.org A Statistical Characterization of School Bus Drive Cycles Collected via Onboard Logging Systems Adam Duran and Kevin Walkowicz National Renewable Energy Laboratory ABSTRACT In an effort to characterize the dynamics typical of school bus operation, National Renewable Energy Laboratory (NREL) researchers set out to gather in-use duty cycle data from school bus fleets operating

  6. U-039: ISC Update: BIND 9 Resolver crashes after logging an error in query.c

    Broader source: Energy.gov [DOE]

    A remote server can cause the target connected client to crash. Organizations across the Internet are reporting crashes interrupting service on BIND 9 nameservers performing recursive queries. Affected servers crash after logging an error in query.c with the following message: "INSIST(! dns_rdataset_isassociated(sigrdataset))" Multiple versions are reported as being affected, including all currently supported release versions of ISC BIND 9. ISC is actively investigating the root cause and working to produce patches which avoid the crash.

  7. U-038: BIND 9 Resolver crashes after logging an error in query.c

    Broader source: Energy.gov [DOE]

    A remote server can cause the target connected client to crash. Organizations across the Internet are reporting crashes interrupting service on BIND 9 nameservers performing recursive queries. Affected servers crash after logging an error in query.c with the following message: "INSIST(! dns_rdataset_isassociated(sigrdataset))" Multiple versions are reported as being affected, including all currently supported release versions of ISC BIND 9. ISC is actively investigating the root cause and working to produce patches which avoid the crash.

  8. Influence of rubidium cations on hydrogen and deuterium electrosorption in palladium

    SciTech Connect (OSTI)

    Czerwinski, A.; Frydrych, J.; Kiersztyn, I.

    1996-11-01

    A comparative cyclic voltammetric study of the hydrogen and deuterium sorptions into a thin layer palladium electrode has been performed in acidic and basic solutions containing rubidium cations. As in the case of other alkali cations, rubidium appears to clearly influence the {alpha}- to {beta}- phase transition only in basic solution.

  9. Method of separating and recovering uranium and related cations from spent Purex-type systems

    DOE Patents [OSTI]

    Mailen, J.C.; Tallent, O.K.

    1987-02-25

    A process for separating uranium and related cations from a spent Purex-type solvent extraction system which contains degradation complexes of tributylphosphate wherein the system is subjected to an ion-exchange process prior to a sodium carbonate scrubbing step. A further embodiment comprises recovery of the separated uranium and related cations. 5 figs.

  10. Ionic Liquids with Ammonium Cations as Lubricants or Additives

    SciTech Connect (OSTI)

    Qu, Jun; Blau, Peter Julian; Dai, Sheng; Luo, Huimin; Truhan, Jr., John J

    2006-01-01

    Friction and wear are estimated to cost 6% of the US gross national product, or around $700 billion annually. A new class of more effective lubricants could lead to huge energy savings. Limited recent literature has suggested potential for using room-temperature ionic liquids as lubricants, however only a few out of millions (or more) of species have been evaluated. Recent ORNL work discovered a new category of ionic liquids with ammonium cations that have demonstrated promising lubricating properties as net lubricants or lubricant additives, particularly in lubricating difficult-to-lubricate metals like aluminum. More than 30% friction reduction has been observed on ammonium-based ionic liquids compared to conventional hydrocarbon oils. The inherent polarity of ionic liquids is believed to provide strong adhesion to contact surfaces and form a boundary lubricating film leading to friction and wear reductions. Other advantages of ionic liquids include (1) negligible volatility, (2) high thermal stability, (3) non-flammability, and (4) better intrinsic properties that eliminate the necessity of many expensive lubricant additives. With very flexible molecular structures, this new class of lubricants, particularly ammonium-based ionic liquids, can be tailored to fit a big variety of applications including but not limited to bearings, combustion engines, MEMS, and metal forming.

  11. Organic cation secretion by Cancer borealis urinary bladder

    SciTech Connect (OSTI)

    Miller, D.S.; Holliday, C.W.

    1987-01-01

    In the crab, Cancer borealis, initial clearance studies showed a potent renal excretory system for the model organic cation, tetraethylammonium (TEA). (/sup 14/C)-TEA clearance averaged 145 +/- 32 ml/day, which was 18 times the paired polyethylene glycol clearance. TEA uptake by slices of urinary bladder was concentrative, saturable, inhibitable by N/sup 1/-methylnicotinamide chloride, and dependent on glycolytic, but not oxidative, metabolism. When mounted in flux chambers, bladders exhibited a large net secretory flux. For 0.1 mM TEA, the ratio of secretory to reabsorptive fluxes was 65. Urinary bladders from another crab, Cancer irroratus, and a lobster, Homarus americanus, also exhibited net TEA secretion. In C. borealis bladder, secretory transport was concentrative, saturable, and nearly abolished by addition of 1 mM quinine to the serosol bath. Reabsorptive transport was not concentrative and was not reduced by luminal quinine. The data are consistent with a secretory pathway that is transcellular and mediated by carriers at both the serosal and luminal membranes.

  12. Insights into dynamic processes of cations in pyrochlores and other complex oxides

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

    Uberuaga, Blas Pedro; Perriot, Romain

    2015-08-26

    Complex oxides are critical components of many key technologies, from solid oxide fuel cells and superionics to inert matrix fuels and nuclear waste forms. In many cases, understanding mass transport is important for predicting performance and, thus, extensive effort has been devoted to understanding mass transport in these materials. However, most work has focused on the behavior of oxygen while cation transport has received relatively little attention, even though cation diffusion is responsible for many phenomena, including sintering, radiation damage evolution, and deformation processes. Here, we use accelerated molecular dynamics simulations to examine the kinetics of cation defects in onemore » class of complex oxides, A₂B₂O₇ pyrochlore. In some pyrochlore chemistries, B cation defects are kinetically unstable, transforming to A cation defects and antisites at rates faster than they can diffuse. When this occurs, transport of B cations occurs through defect processes on the A sublattice. Further, these A cation defects, either interstitials or vacancies, can interact with antisite disorder, reordering the material locally, though this process is much more efficient for interstitials than vacancies. Whether this behavior occurs in a given pyrochlore depends on the A and B chemistry. Pyrochlores with a smaller ratio of cation radii exhibit this complex behavior, while those with larger ratios exhibit direct migration of B interstitials. Similar behavior has been reported in other complex oxides such as spinels and perovskites, suggesting that this coupling of transport between the A and B cation sublattices, while not universal, occurs in many complex oxide.« less

  13. High-voltage supply for neutron tubes in well-logging applications

    DOE Patents [OSTI]

    Humphreys, D.R.

    1982-09-15

    A high voltage supply is provided for a neutron tube used in well logging. The biased pulse supply of the invention combines DC and full pulse techniques and produces a target voltage comprising a substantial negative DC bias component on which is superimposed a pulse whose negative peak provides the desired negative voltage level for the neutron tube. The target voltage is preferably generated using voltage doubling techniques and employing a voltage source which generates bipolar pulse pairs having an amplitude corresponding to the DC bias level.

  14. Method of assaying uranium with prompt fission and thermal neutron borehole logging adjusted by borehole physical characteristics. [Patient application

    DOE Patents [OSTI]

    Barnard, R.W.; Jensen, D.H.

    1980-11-05

    Uranium formations are assayed by prompt fission neutron logging techniques. The uranium in the formation is proportional to the ratio of epithermal counts to thermal or epithermal dieaway. Various calibration factors enhance the accuracy of the measurement.

  15. Method of assaying uranium with prompt fission and thermal neutron borehole logging adjusted by borehole physical characteristics

    DOE Patents [OSTI]

    Barnard, Ralston W. (Albuquerque, NM); Jensen, Dal H. (Albuquerque, NM)

    1982-01-01

    Uranium formations are assayed by prompt fission neutron logging techniques. The uranium in the formation is proportional to the ratio of epithermal counts to thermal or eqithermal dieaway. Various calibration factors enhance the accuracy of the measurement.

  16. Calibration of NMR well logs from carbonate reservoirs with laboratory NMR measurements and μXRCT

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

    Mason, Harris E.; Smith, Megan M.; Hao, Yue; Carroll, Susan A.

    2014-12-31

    The use of nuclear magnetic resonance (NMR) well log data has the potential to provide in-situ porosity, pore size distributions, and permeability of target carbonate CO₂ storage reservoirs. However, these methods which have been successfully applied to sandstones have yet to be completely validated for carbonate reservoirs. Here, we have taken an approach to validate NMR measurements of carbonate rock cores with independent measurements of permeability and pore surface area to volume (S/V) distributions using differential pressure measurements and micro X-ray computed tomography (μXRCT) imaging methods, respectively. We observe that using standard methods for determining permeability from NMR data incorrectlymore » predicts these values by orders of magnitude. However, we do observe promise that NMR measurements provide reasonable estimates of pore S/V distributions, and with further independent measurements of the carbonate rock properties that universally applicable relationships between NMR measured properties may be developed for in-situ well logging applications of carbonate reservoirs.« less

  17. Evaluation of Non-Nuclear Techniques for Well Logging: Technology Evaluation

    SciTech Connect (OSTI)

    Bond, Leonard J.; Denslow, Kayte M.; Griffin, Jeffrey W.; Dale, Gregory E.; Harris, Robert V.; Moran, Traci L.; Sheen, David M.; Schenkel, Thomas

    2010-11-01

    This report presents an initial review of the state-of-the-art nuclear and non-nuclear well logging methods and seeks to understand the technical and economic issues if AmBe, and potentially other isotope sources, are reduced or even eliminated in the oil-field services industry. Prior to considering alternative logging technologies, there is a definite need to open up discussions with industry regarding the feasibility and acceptability of source replacement. Industry views appear to range from those who see AmBe as vital and irreplaceable to those who believe that, with research and investment, it may be possible to transition to electronic neutron sources and employ combinations of non-nuclear technologies to acquire the desired petro-physical parameters. In one sense, the simple answer to the question as to whether petro-physical parameters can be sensed with technologies other than AmBe is probably "Yes". The challenges come when attention turns to record interpretation. The many decades of existing records form a very valuable proprietary resource, and the interpretation of subtle features contained in these records are of significant value to the oil-gas exploration community to correctly characterize a well. The demonstration of equivalence and correspondence/correlation between established and any new sensing modality, and correlations with historic records is critical to ensuring accurate data interpretation. Establishing the technical basis for such a demonstration represents a significant effort.

  18. Colloid-Facilitated Transport of Cations in an Unsaturated Fractured Soil

    Office of Scientific and Technical Information (OSTI)

    Under Transient Conditions (Technical Report) | SciTech Connect Colloid-Facilitated Transport of Cations in an Unsaturated Fractured Soil Under Transient Conditions Citation Details In-Document Search Title: Colloid-Facilitated Transport of Cations in an Unsaturated Fractured Soil Under Transient Conditions Rainfall experiments were conducted using intact soil cores and an instrumented soil pedon to examine the effect of physical heterogeneity and rainfall characteristics on the mobilization

  19. Novel Fluorescent Cationic Phospholipid, O-4-Napthylimido-1-Butyl-DOPC,

    Office of Scientific and Technical Information (OSTI)

    Exhibits Unusual Foam Morphology, Forms Hexagonal and Cubic Phases in Mixtures, and Transfects DNA (Journal Article) | SciTech Connect Novel Fluorescent Cationic Phospholipid, O-4-Napthylimido-1-Butyl-DOPC, Exhibits Unusual Foam Morphology, Forms Hexagonal and Cubic Phases in Mixtures, and Transfects DNA Citation Details In-Document Search Title: Novel Fluorescent Cationic Phospholipid, O-4-Napthylimido-1-Butyl-DOPC, Exhibits Unusual Foam Morphology, Forms Hexagonal and Cubic Phases in

  20. Cationic Liposome-Microtuble Complexes: Lipid-Protein Bio-Nanotubles with

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

    Open or Closed Ends Cationic Liposome-Microtubule Complexes: Lipid-Protein Bio-Nanotubes with Open or Closed Ends Uri Raviv,*,+ Daniel J. Needleman,*,+ Youli Li,*,+ Herbert P. Miller,+ Leslie Wilson,+ and Cyrus R. Safinya *,+ *Materials Department, Physics Department +Molecular, Cellular, and Developmental Biology Department, Biomolecular Science and Engineering Program, University of California, Santa Barbara, CA 93106 In this work we explored the structured that form when cationic

  1. Infrared spectroscopy of the methanol cation and its methylene-oxonium isomer

    SciTech Connect (OSTI)

    Mosley, J. D.; Young, J. W.; Duncan, M. A. E-mail: maduncan@uga.edu; Huang, M.; McCoy, A. B. E-mail: maduncan@uga.edu

    2015-03-21

    The carbenium ion with nominal formula [C,H{sub 4},O]{sup +} is produced from methanol or ethylene glycol in a pulsed-discharge supersonic expansion source. The ion is mass selected, and its infrared spectrum is measured from 2000 to 4000 cm{sup ?1} using laser photodissociation spectroscopy and the method of rare gas atom tagging. Computational chemistry predicts two isomers, the methanol and methylene-oxonium cations. Predicted vibrational spectra based on scaled harmonic and reduced dimensional treatments are compared to the experimental spectra. The methanol cation is the only isomer produced when methanol is used as a precursor. When ethylene glycol is used as the precursor, methylene-oxonium is produced in addition to the methanol cation. Theoretical results at the CCSD(T)/cc-pVTZ level show that methylene-oxonium is lower in energy than methanol cation by 6.4 kcal/mol, and is in fact the global minimum isomer on the [C,H{sub 4},O]{sup +} potential surface. Methanol cation is trapped behind an isomerization barrier in our source, providing a convenient method to produce and characterize this transient species. Analysis of the spectrum of the methanol cation provides evidence for strong CH stretch vibration/torsion coupling in this molecular ion.

  2. SU-C-BRD-03: Analysis of Accelerator Generated Text Logs for Preemptive Maintenance

    SciTech Connect (OSTI)

    Able, CM; Baydush, AH; Nguyen, C; Munley, MT; Gersh, J; Ndlovu, A; Rebo, I; Booth, J; Perez, M; Sintay, B

    2014-06-15

    Purpose: To develop a model to analyze medical accelerator generated parameter and performance data that will provide an early warning of performance degradation and impending component failure. Methods: A robust 6 MV VMAT quality assurance treatment delivery was used to test the constancy of accelerator performance. The generated text log files were decoded and analyzed using statistical process control (SPC) methodology. The text file data is a single snapshot of energy specific and overall systems parameters. A total of 36 system parameters were monitored which include RF generation, electron gun control, energy control, beam uniformity control, DC voltage generation, and cooling systems. The parameters were analyzed using Individual and Moving Range (I/MR) charts. The chart limits were calculated using a hybrid technique that included the use of the standard 3? limits and the parameter/system specification. Synthetic errors/changes were introduced to determine the initial effectiveness of I/MR charts in detecting relevant changes in operating parameters. The magnitude of the synthetic errors/changes was based on: the value of 1 standard deviation from the mean operating parameter of 483 TB systems, a small fraction (? 5%) of the operating range, or a fraction of the minor fault deviation. Results: There were 34 parameters in which synthetic errors were introduced. There were 2 parameters (radial position steering coil, and positive 24V DC) in which the errors did not exceed the limit of the I/MR chart. The I chart limit was exceeded for all of the remaining parameters (94.2%). The MR chart limit was exceeded in 29 of the 32 parameters (85.3%) in which the I chart limit was exceeded. Conclusion: Statistical process control I/MR evaluation of text log file parameters may be effective in providing an early warning of performance degradation or component failure for digital medical accelerator systems. Research is Supported by Varian Medical Systems, Inc.

  3. A New Improved Na-K Geothermometer By Artificial Neural Networks...

    Open Energy Info (EERE)

    567-577), Truesdell (1975; Proc. 2nd UN Symposium), Tonani (1980; Proc. Adv. Eur. Geoth. Research, 2nd Symposium), Fournier (1979a; J. Volcanol. Geotherm. Res. 5, 1-16), Nieva and...

  4. An Empirical Na-K-Ca Geothermometer For Natural Waters | Open...

    Open Energy Info (EERE)

    temperature environments ranging from 4 to 340C. The data for most geothermal waters cluster near a straight line when plotted as the function vs reciprocal of absolute...

  5. Log analysis of six boreholes in conjunction with geologic characterization above and on top of the Weeks Island salt dome

    SciTech Connect (OSTI)

    Sattler, A.R.

    1996-04-01

    Six boreholes were drilled during the geologic characterization and diagnostics of the Weeks Island sinkhole that is over the two-tiered salt mine which was converted for oil storage by the US Strategic Petroleum Reserve. These holes were drilled to provide for geologic characterization of the Weeks Island Salt Dome and its overburden in the immediate vicinity of the sinkhole (mainly through logs and core); to establish a crosswell configuration for seismic tomography; to establish locations for hydrocarbon detection and tracer injection; and to Provide direct observations of sinkhole geometry and material properties. Specific objectives of the logging program were to: (1) identify the top of and the physical state of the salt dome; (2) identify the water table; (3) obtain a relative salinity profile in the aquifer within the alluvium, which ranges from the water table directly to the top of the Weeks Island salt dome; and (4) identify a reflecting horizon seen on seismic profiles over this salt dome. Natural gamma, neutron, density, sonic, resistivity and caliper logs were run. Neutron and density logs were run from inside the well casing because of the extremely unstable condition of the deltaic alluvium overburden above the salt dome. The logging program provided important information about the salt dome and the overburden in that (1) the top of the salt dome was identified at {approximately}189 ft bgl (103 ft msl), and the top of the dome contains relatively few fractures; (2) the water table is approximately 1 ft msl, (3) this aquifer appears to become steadily more saline with depth; and (4) the water saturation of much of the alluvium over the salt dome is shown to be influenced by the prevalent heavy rainfall. This logging program, a part of the sinkhole diagnostics, provides unique information about this salt dome and the overburden.

  6. Effect of cation ordering on oxygen vacancy diffusion pathways in double perovskites

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

    Uberuaga, Blas Pedro; Pilania, Ghanshyam

    2015-07-08

    Perovskite structured oxides (ABO3) are attractive for a number of technological applications, including as superionics because of the high oxygen conductivities they exhibit. Double perovskites (AA’BB’O6) provide even more flexibility for tailoring properties. Using accelerated molecular dynamics, we examine the role of cation ordering on oxygen vacancy mobility in one model double perovskite SrLaTiAlO6. We find that the mobility of the vacancy is very sensitive to the cation ordering, with a migration energy that varies from 0.6 to 2.7 eV. In the extreme cases, the mobility is both higher and lower than either of the two end member single perovskites.more » Further, the nature of oxygen vacancy diffusion, whether one-dimensional, two-dimensional, or three-dimensional, also varies with cation ordering. We correlate the dependence of oxygen mobility on cation structure to the distribution of Ti4+ cations, which provide unfavorable environments for the positively charged oxygen vacancy. The results demonstrate the potential of using tailored double perovskite structures to precisely control the behavior of oxygen vacancies in these materials.« less

  7. Mesophase stabilization in ionic liquid crystals through pairing equally shaped mesogenic cations and anions

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

    Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; Spielberg, Eike T.; Mudring, Anja -Verena

    2015-07-23

    The synthesis and properties of a set of novel ionic liquid crystals with congruently shaped cations and anions are reported to check whether pairing mesogenic cations with mesogenic anions leads to a stabilization of a liquid crystalline phase. To that avail 1-alkyl-3-methyl-triazolium cations with an alkyl chain length of 10, 12, and 14 carbon atoms have been combined with p-alkyloxy-benzenesulfonate anions with different alkyl chain lengths (n = 10, 12, and 14). The corresponding triazolium iodides have been synthesized as reference compounds where the cation and anion have strong size and shape mismatch. The mesomorphic behavior of all compounds ismore » studied by differential scanning calorimetry and polarizing optical microscopy. All compounds except 1-methyl-3-decyltriazolium iodide, which qualifies as an ionic liquid, are thermotropic ionic liquid crystals. All other compounds adopt smectic A phases. As a result, a comparison of the thermal phase behavior of the 1-methyl-3-decyltriazolium bromides to the corresponding p-alkoxy-benzensulfonates reveals that definitely the mesophase is stabilized by pairing the rod-shaped 1-alkyl-3-methyltriazolium cation with a rod-like anion of similar size.« less

  8. Colloid Facilitated Transport of Radioactive Cations in the Vadose Zone: Field Experiments Oak Ridge

    SciTech Connect (OSTI)

    James E. Saiers

    2012-09-20

    The overarching goal of this study was to improve understanding of colloid-facilitated transport of radioactive cations through unsaturated soils and sediments. We conducted a suite of laboratory experiments and field experiments on the vadose-zone transport of colloids, organic matter, and associated contaminants of interest to the U.S. Department of Energy (DOE). The laboratory and field experiments, together with transport modeling, were designed to accomplish the following detailed objectives: 1. Evaluation of the relative importance of inorganic colloids and organic matter to the facilitation of radioactive cation transport in the vadose zone; 2. Assessment of the role of adsorption and desorption kinetics in the facilitated transport of radioactive cations in the vadose zone; 3. Examination of the effects of rainfall and infiltration dynamics and in the facilitated transport of radioactive cations through the vadose zone; 4. Exploration of the role of soil heterogeneity and preferential flow paths (e.g., macropores) on the facilitated transport of radioactive cations in the vadose zone; 5. Development of a mathematical model of facilitated transport of contaminants in the vadose zone that accurately incorporates pore-scale and column-scale processes with the practicality of predicting transport with readily available parameters.

  9. Properties of some ionic liquids based on1-methyl-3-octylimidazolium and 4-methyl-N-butylpyridinium cations.

    SciTech Connect (OSTI)

    Papaiconomou, Nicolas; Yakelis, Neal; Salminen, Justin; Bergman,Robert; Prausnitz, John M.

    2005-09-29

    Syntheses are reported for ionic liquids containing 1-methyl-3octylimidazolium and 4-methyl-N-butylpyridinium cations, and trifluoromethansulfonate, dicyanamide, bis(trifluoromethylsulfonyl)imide, and nonafluorobutanesulfonate anions. Densities, melting points and glass transition points, solubility in water as well as polarities have been measured. Ionic liquids based on pyridinium cations exhibit higher melting points, lower solubility in water, and higher polarity than those based on imidazolium cations.

  10. Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds

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

    Kim, M. J.; Zoerb, M. C.; Campbell, N. R.; Zimmermann, K. J.; Blomquist, B. W.; Huebert, B. J.; Bertram, T. H.

    2015-10-01

    Benzene cluster cations were revisited as a sensitive and selective reagent ion for the chemical ionization of dimethyl sulfide (DMS) and a select group of volatile organic compounds (VOCs). Laboratory characterization was performed using both a new set of compounds (i.e. DMS, ?-caryophyllene) as well as previously studied VOCs (i.e., isoprene, ?-pinene). Using a field deployable chemical ionization time-of-flight mass spectrometer (CI-ToFMS), benzene cluster cations demonstrated high sensitivity (> 1 ncps ppt?1) to DMS, isoprene, and ?-pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a weaker electric field, demonstrated that ion-molecule reactions likely proceed through amorecombination of ligand-switching and direct charge transfer mechanisms. Laboratory tests suggest that benzene cluster cations may be suitable for the selective ionization of sesquiterpenes, where minimal fragmentation (R2=0.80) over a wide range of sampling conditions.less

  11. Differential inhibition of organic cations by the renal tubule of the chicken: relationship to Tm

    SciTech Connect (OSTI)

    Springate, J.; Hasan, M.; Rennick, B.; Acara, M.

    1986-03-01

    The ability of organic cations to differentially inhibit the renal excretion of two prototypical organic cations, tetraethylammonium (TEA) and N/sup 1/-methylnicotinamide (NMN), was investigated using the Sperber technique in chickens. /sup 3/H-TEA and /sup 14/C-NMN were infused simultaneously into the renal portal circulation and their transport efficiencies (TE) determined to be 106 +/- 11% and 81 +/- 13% respectively. Quinine, unlabelled NMN or TEA, added in increasing amounts, produced differential inhibition of TEA, NMN, or cimetidine (infused in separate experiments). Data using other competing organic cations (guinidine, ranitidine, triethylcholine) indicated that TEA was never more susceptible to inhibition than NMN. These results suggest that the magnitude of T/sub m/ is directly related to susceptibility to inhibition and indirectly to inhibitory potency.

  12. Shallow infiltration processes at Yucca Mountain, Nevada: Neutron logging data 1984--1993

    SciTech Connect (OSTI)

    Flint, L.E.; Flint, A.L.

    1995-12-31

    To determine site suitability of Yucca Mountain, Nevada, as a potential high-level radioactive waste repository, a study was devised to characterize net infiltration. This study involves a detailed data set produced from 99 neutron boreholes that consisted of volumetric water-content readings with depth from 1984 through 1993 at Yucca Mountain. Boreholes were drilled with minimal disturbance to the surrounding soil or rock in order to best represent field conditions. Boreholes were located in topographic positions representing infiltration zones identified as ridgetops, sideslopes, terraces, and active channels. Through careful field calibration, neutron moisture logs, collected on a monthly basis and representing most of the areal locations at Yucca Mountain, illustrated that the depth of penetration of seasonal moisture, important for escaping loss to evapotranspiration, was influenced by several factors. It was increased (1) by thin soil cover, especially in locations where thin soil is underlain by fractured bedrock; (2) on ridgetops; and (3) during the winter when evapotranspiration is low and runoff is less frequent. This data set helps to provide a seasonal and areal distribution of changes in volumetric water content with which to assess hydrologic processes contributing to net infiltration.

  13. Shallow infiltration processes at Yucca Mountain, Nevada - neutron logging data 1984-93

    SciTech Connect (OSTI)

    Flint, L.E.; Flint, A.L.

    1995-11-01

    To determine site suitability of Yucca Mountain, Nevada, as a potential high-level radioactive waste repository, a study was devised to characterize net infiltration. This study involves a detailed data set produced from 99 neutron boreholes that consisted of volumetric water-content readings with depth from 1984 through 1993 at Yucca Mountain. Boreholes were drilled with minimal disturbance to the surrounding soil or rock in order to best represent field conditions. Boreholes were located in topographic positions representing infiltration zones identified as ridge-tops, sideslopes, terraces, and active channels. Through careful field calibration, neutron moisture logs, collected on a monthly basis and representing most of the areal locations at Yucca Mountain, illustrated that the depth of penetration of seasonal moisture, important for escaping loss to evapotranspiration, was influenced by several factors. It was increased (1) by thin soil cover, especially in locations where thin soil is underlain by fractured bedrock; (2) on ridgetops; and (3) during the winter when evapotranspiration is low and runoff is less frequent. This data set helps to provide a seasonal and areal distribution of changes in volumetric water content with which to assess hydrologic processes contributing to net infiltration.

  14. Parameter estimation from flowing fluid temperature logging data in unsaturated fractured rock using multiphase inverse modeling

    SciTech Connect (OSTI)

    Mukhopadhyay, S.; Tsang, Y.; Finsterle, S.

    2009-01-15

    A simple conceptual model has been recently developed for analyzing pressure and temperature data from flowing fluid temperature logging (FFTL) in unsaturated fractured rock. Using this conceptual model, we developed an analytical solution for FFTL pressure response, and a semianalytical solution for FFTL temperature response. We also proposed a method for estimating fracture permeability from FFTL temperature data. The conceptual model was based on some simplifying assumptions, particularly that a single-phase airflow model was used. In this paper, we develop a more comprehensive numerical model of multiphase flow and heat transfer associated with FFTL. Using this numerical model, we perform a number of forward simulations to determine the parameters that have the strongest influence on the pressure and temperature response from FFTL. We then use the iTOUGH2 optimization code to estimate these most sensitive parameters through inverse modeling and to quantify the uncertainties associated with these estimated parameters. We conclude that FFTL can be utilized to determine permeability, porosity, and thermal conductivity of the fracture rock. Two other parameters, which are not properties of the fractured rock, have strong influence on FFTL response. These are pressure and temperature in the borehole that were at equilibrium with the fractured rock formation at the beginning of FFTL. We illustrate how these parameters can also be estimated from FFTL data.

  15. Posterior propriety for hierarchical models with log-likelihoods that have norm bounds

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

    Michalak, Sarah E.; Morris, Carl N.

    2015-07-17

    Statisticians often use improper priors to express ignorance or to provide good frequency properties, requiring that posterior propriety be verified. Our paper addresses generalized linear mixed models, GLMMs, when Level I parameters have Normal distributions, with many commonly-used hyperpriors. It provides easy-to-verify sufficient posterior propriety conditions based on dimensions, matrix ranks, and exponentiated norm bounds, ENBs, for the Level I likelihood. Since many familiar likelihoods have ENBs, which is often verifiable via log-concavity and MLE finiteness, our novel use of ENBs permits unification of posterior propriety results and posterior MGF/moment results for many useful Level I distributions, including those commonlymore » used with multilevel generalized linear models, e.g., GLMMs and hierarchical generalized linear models, HGLMs. Furthermore, those who need to verify existence of posterior distributions or of posterior MGFs/moments for a multilevel generalized linear model given a proper or improper multivariate F prior as in Section 1 should find the required results in Sections 1 and 2 and Theorem 3 (GLMMs), Theorem 4 (HGLMs), or Theorem 5 (posterior MGFs/moments).« less

  16. A Brief Review of the Basis for, and the Procedures Currently Utilized in, Gross Gamma-Ray Log Calibration (October 1976)

    Broader source: Energy.gov [DOE]

    A Brief Review of the Basis for, and the Procedures Currently Utilized in, Gross Gamma-Ray Log Calibration (October 1976)

  17. Non-immunogenic, hydrophilic/cationic block copolymers and uses thereof

    DOE Patents [OSTI]

    Scales, Charles W.; Huang, Faqing; McCormick, Charles L.

    2010-05-18

    The present invention provides novel non-immunogenic, hydrophilic/cationic block copolymers comprising a neutral-hydrophilic polymer and a cationic polymer, wherein both polymers have well-defined chain-end functionality. A representative example of such a block copolymer comprises poly(N-(2-hydroxypropyl)methacrylamide) (PHPMA) and poly(N-[3-(dimethylamino)propyl]methacrylamide) (PDMAPMA). Also provided is a synthesis method thereof in aqueous media via reversible addition fragmentation chain transfer (RAFT) polymerization. Further provided are uses of these block copolymers as drug delivery vehicles and protection agents.

  18. Preferential solvation of lithium cations and impacts on oxygen reduction in lithiumair batteries

    SciTech Connect (OSTI)

    Zheng, Dong; Qu, Deyu; Yang, Xiao -Qing; Lee, Hung -Sui; Qu, Deyang

    2015-09-16

    The solvation of Li? with eleven non-aqueous solvents commonly used as the electrolytes for Li batteries were studied. The solvation preferences of different solvents were compared by means of electrospray mass spectrometry and collision-induced dissociation. The relative strength of the solvent for the solvation of Li? was determined. The Lewis acidity of the solvated Li? cations was determined by the preferential solvation of the solvent in the solvation shell. The kinetics of the catalytic disproportionation of the O?? depends on the relative Lewis acidity of the solvated Li? ion. The impact of the solvated Li? cation on the O? redox reaction was also investigated.

  19. DFT studies of all fluorothiophenes and their cations as candidate monomers for conductive polymers

    SciTech Connect (OSTI)

    Shirani, Hossein; Jameh-Bozorghi, Saeed; Yousefi, Ali

    2015-01-22

    In this paper, electronic, structural, and properties of mono-, di-, tri-, and tetrafluorothiophenes and their radical cations are studied using the density functional theory and B3LYP method with 6-311++G** basis set. Also, the effects of the number and position of the substituent of fluorine atoms on the properties of the thiophene ring have been studied using optimized structures obtained for these molecules and their radical cations; vibrational frequencies, spin-density distribution, size and direction of the dipole moment vector, ionization potential, electric Polarizabilities, HOMOLUMO gaps and NICS values of these compounds have been calculated and analyzed.

  20. Misfit strain driven cation inter-diffusion across an epitaxial multiferroic thin film interface

    SciTech Connect (OSTI)

    Sankara Rama Krishnan, P. S.; Munroe, Paul; Nagarajan, V.; Morozovska, Anna N.; Eliseev, Eugene A.; Ramasse, Quentin M.; Kepaptsoglou, Demie; Liang, Wen-I.; Chu, Ying-Hao

    2014-02-07

    Cation intermixing at functional oxide interfaces remains a highly controversial area directly relevant to interface-driven nanoelectronic device properties. Here, we systematically explore the cation intermixing in epitaxial (001) oriented multiferroic bismuth ferrite (BFO) grown on a (001) lanthanum aluminate (LAO) substrate. Aberration corrected dedicated scanning transmission electron microscopy and electron energy loss spectroscopy reveal that the interface is not chemically sharp, but with an intermixing of ?2?nm. The driving force for this process is identified as misfit-driven elastic strain. Landau-Ginzburg-Devonshire-based phenomenological theory was combined with the Sheldon and Shenoy formula in order to understand the influence of boundary conditions and depolarizing fields arising from misfit strain between the LAO substrate and BFO film. The theory predicts the presence of a strong potential gradient at the interface, which decays on moving into the bulk of the film. This potential gradient is significant enough to drive the cation migration across the interface, thereby mitigating the misfit strain. Our results offer new insights on how chemical roughening at oxide interfaces can be effective in stabilizing the structural integrity of the interface without the need for misfit dislocations. These findings offer a general formalism for understanding cation intermixing at highly strained oxide interfaces that are used in nanoelectronic devices.

  1. Organo-Lewis acid as cocatalyst for cationic homogeneous Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, Tobin J.; Chen, You-Xian

    2001-01-01

    Organo-Lewis acids of the formula BR'R".sub.2 wherein B is boron, R' is fluorinated biphenyl, and R" is a fluorinated phenyl, fluorinated biphenyl, or fluorinated polycyclic fused ring group, and cationic metallocene complexes formed therewith. Such complexes are useful as polymerization catalysts.

  2. Organo-Lewis acid as cocatalyst for cationic homogeneous Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, Tobin J.; Chen, You-Xian

    2002-01-01

    Organo-Lewis acids of the formula BR'R".sub.2 wherein B is boron, R' is fluorinated biphenyl, and R" is a fluorinated phenyl, fluorinated biphenyl, or fluorinated polycyclic fused ring group, and cationic metallocene complexes formed therewith. Such complexes are useful as polymerization catalysts.

  3. High energy electron beam curing of epoxy resin systems incorporating cationic photoinitiators

    DOE Patents [OSTI]

    Janke, C.J.; Lopata, V.J.; Havens, S.J.; Dorsey, G.F.; Moulton, R.J.

    1999-03-02

    A mixture of epoxy resins such as a semi-solid triglycidyl ether of tris (hydroxyphenyl) methane and a low viscosity bisphenol A glycidyl ether and a cationic photoinitiator such as a diaryliodonium salt is cured by irradiating with a dosage of electron beams from about 50 to about 150 kGy, forming a cross-linked epoxy resin polymer.

  4. High energy electron beam curing of epoxy resin systems incorporating cationic photoinitiators

    DOE Patents [OSTI]

    Janke, Christopher J. (Powell, TN); Lopata, Vincent J. (Manitoba, CA); Havens, Stephen J. (Knoxville, TN); Dorsey, George F. (Farragut, TN); Moulton, Richard J. (Lafayette, CA)

    1999-01-01

    A mixture of epoxy resins such as a semi-solid triglycidyl ether of tris (hydroxyphenyl) methane and a low viscosity bisphenol A glycidyl ether and a cationic photoinitiator such as a diaryliodonium salt is cured by irradiating with a dosage of electron beams from about 50 to about 150 kGy, forming a cross-linked epoxy resin polymer.

  5. Effect of Divalent Cation Removal on the Structure of Gram-Negative Bacterial Outer Membrane Models

    SciTech Connect (OSTI)

    Clifton, Luke A.; Skoda, Maximilian W. A.; Le Brun, Anton P.; Ciesielski, Filip; Kuzmenko, Ivan; Holt, Stephen A.; Lakey, Jeremy H.

    2014-12-09

    The Gram-negative bacterial outer membrane (GNB-OM) is asymmetric in its lipid composition with a phospholipid-rich inner leaflet and an outer leaflet predominantly composed of lipopolysaccharides (LPS). LPS are polyanionic molecules, with numerous phosphate groups present in the lipid A and core oligosaccharide regions. The repulsive forces due to accumulation of the negative charges are screened and bridged by the divalent cations (Mg2+ and Ca2+) that are known to be crucial for the integrity of the bacterial OM. Indeed, chelation of divalent cations is a well-established method to permeabilize Gram-negative bacteria such as Escherichia coli. Here, we use X-ray and neutron reflectivity (XRR and NR, respectively) techniques to examine the role of calcium ions in the stability of a model GNB-OM. Using XRR we show that Ca2+ binds to the core region of the rough mutant LPS (RaLPS) films, producing more ordered structures in comparison to divalent cation free monolayers. Using recently developed solid-supported models of the GNB-OM, we study the effect of calcium removal on the asymmetry of DPPC:RaLPS bilayers. We show that without the charge screening effect of divalent cations, the LPS is forced to overcome the thermodynamically unfavorable energy barrier and flip across the hydrophobic bilayer to minimize the repulsive electrostatic forces, resulting in about 20% mixing of LPS and DPPC between the inner and outer bilayer leaflets. These results reveal for the first time the molecular details behind the well-known mechanism of outer membrane stabilization by divalent cations. This confirms the relevance of the asymmetric models for future studies of outer membrane stability and antibiotic penetration.

  6. Effect of Divalent Cation Removal on the Structure of Gram-Negative Bacterial Outer Membrane Models

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

    Clifton, Luke A.; Skoda, Maximilian W. A.; Le Brun, Anton P.; Ciesielski, Filip; Kuzmenko, Ivan; Holt, Stephen A.; Lakey, Jeremy H.

    2014-12-09

    The Gram-negative bacterial outer membrane (GNB-OM) is asymmetric in its lipid composition with a phospholipid-rich inner leaflet and an outer leaflet predominantly composed of lipopolysaccharides (LPS). LPS are polyanionic molecules, with numerous phosphate groups present in the lipid A and core oligosaccharide regions. The repulsive forces due to accumulation of the negative charges are screened and bridged by the divalent cations (Mg2+ and Ca2+) that are known to be crucial for the integrity of the bacterial OM. Indeed, chelation of divalent cations is a well-established method to permeabilize Gram-negative bacteria such as Escherichia coli. Here, we use X-ray and neutronmore » reflectivity (XRR and NR, respectively) techniques to examine the role of calcium ions in the stability of a model GNB-OM. Using XRR we show that Ca2+ binds to the core region of the rough mutant LPS (RaLPS) films, producing more ordered structures in comparison to divalent cation free monolayers. Using recently developed solid-supported models of the GNB-OM, we study the effect of calcium removal on the asymmetry of DPPC:RaLPS bilayers. We show that without the charge screening effect of divalent cations, the LPS is forced to overcome the thermodynamically unfavorable energy barrier and flip across the hydrophobic bilayer to minimize the repulsive electrostatic forces, resulting in about 20% mixing of LPS and DPPC between the inner and outer bilayer leaflets. These results reveal for the first time the molecular details behind the well-known mechanism of outer membrane stabilization by divalent cations. This confirms the relevance of the asymmetric models for future studies of outer membrane stability and antibiotic penetration.« less

  7. Log analysis of six boreholes in conjunction with geologic characterization above and on top of the Weeks Island Salt Dome

    SciTech Connect (OSTI)

    Sattler, A.R.

    1996-06-01

    Six boreholes were drilled during the geologic characterization and diagnostics of the Weeks Island sinkhole that is over the two-tiered salt mine which was converted for oil storage by the U.S. Strategic Petroleum Reserve. These holes were drilled to provide for geologic characterization of the Weeks Island Salt Dome and its overburden in the immediate vicinity of the sinkhole (mainly through logs and core); to establish a crosswell configuration for seismic tomography; to establish locations for hydrocarbon detection and tracer injection; and to provide direct observations of sinkhole geometry and material properties. Specific objectives of the logging program were to: (1) identify the top of and the physical state of the salt dome; (2) identify the water table; (3) obtain a relative salinity profile in the aquifer within the alluvium, which ranges from the water table directly to the top of the Weeks Island salt dome; and (4) identify a reflecting horizon seen on seismic profiles over this salt dome. Natural gamma, neutron, density, sonic, resistivity and caliper logs were run.

  8. Are the Radical Centers in Peptide Radical Cations Mobile? The Generation, Tautomerism, and Dissociation of Isomeric α-Carbon-Centered Triglycine Radical Cations in the Gas Phase

    SciTech Connect (OSTI)

    Chu, Ivan K.; Zhao, Junfang; Xu, Minjie; Siu, Shiu On; Hopkinson, Alan C.; Siu , K W Michael

    2008-05-31

    The mobility of the radical center in three isomeric triglycine radical cationss[G•GG]+, [GG•G]+, and [GGG•]+shas been investigated theoretically via density functional theory (DFT) and experimentally via tandem mass spectrometry. These radical cations were generated by collision-induced dissociations (CIDs) of Cu(II)-containing ternary complexes that contain the tripeptides YGG, GYG, and GGY, respectively (G and Y are the glycine and tyrosine residues, respectively). Dissociative electron transfer within the complexes led to observation of [Y•GG]+, [GY•G]+, and [GGY•]+; CID resulted in cleavage of the tyrosine side chain as p-quinomethide, yielding [G•GG]+, [GG•G]+, and [GGG•]+, respectively. Interconversions between these isomeric triglycine radical cations have relatively high barriers (g44.7 kcal/mol), in support of the thesis that isomerically pure [G•GG]+, [GG•G]+, and [GGG•]+ can be experimentally produced. This is to be contrasted with barriers < 17 kcal/mol that were encountered in the tautomerism of protonated triglycine [Rodriquez C. F. et al. J. Am. Chem. Soc. 2001, 123, 3006-3012]. The CID spectra of [G•GG]+, [GG•G]+, and [GGG•]+ were substantially different, providing experimental proof that initially these ions have distinct structures. DFT calculations showed that direct dissociations are competitive with interconversions followed by dissociation.

  9. Controlling the actuation properties of MXene paper electrodes upon cation intercalation

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

    Come, Jeremy E.; Black, Jennifer M.; Naguib, Michael; Lukatskaya, Maria R.; Beidaghi, Majid; Wesolowski, David J.; Gogotsi, Yury; Rondinone, Adam J.; Balke, Nina; Kalinin, Sergei V.

    2015-08-05

    Atomic force microscopy was used to monitor the macroscopic deformation in a delaminated Ti?C? paper electrode in-situ, during charge/discharge in a variety of aqueous electrolytes to examine the effect of the cation intercalation on the electrochemical behavior and mechanical response. The results show a strong dependence of the electrode deformation on cation size and charge. The electrode undergoes a large contraction during Li?, Na? or Mg? intercalation, differentiating the Ti?C? paper from conventional electrodes where redox intercalation of ions (e.g. Li?) into the bulk phase (e.g. graphite, silicon) results in volumetric expansion. This feature may explain the excellent rate performancemoreand cyclability reported for MXenes. We also demonstrated that the variation of the electromechanical contraction can be easily adjusted by electrolyte exchange, and shows interesting characteristics for the design of actuators based on 2D metal carbides.less

  10. Preferential solvation of lithium cations and impacts on oxygen reduction in lithium–air batteries

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

    Zheng, Dong; Qu, Deyu; Yang, Xiao -Qing; Lee, Hung -Sui; Qu, Deyang

    2015-09-16

    The solvation of Li⁺ with eleven non-aqueous solvents commonly used as the electrolytes for Li batteries were studied. The solvation preferences of different solvents were compared by means of electrospray mass spectrometry and collision-induced dissociation. The relative strength of the solvent for the solvation of Li⁺ was determined. The Lewis acidity of the solvated Li⁺ cations was determined by the preferential solvation of the solvent in the solvation shell. The kinetics of the catalytic disproportionation of the O₂⁻ depends on the relative Lewis acidity of the solvated Li⁺ ion. The impact of the solvated Li⁺ cation on the O₂ redoxmore » reaction was also investigated.« less

  11. Controlling the actuation properties of MXene paper electrodes upon cation intercalation

    SciTech Connect (OSTI)

    Come, Jeremy E.; Black, Jennifer M.; Naguib, Michael; Lukatskaya, Maria R.; Beidaghi, Majid; Wesolowski, David J.; Gogotsi, Yury; Rondinone, Adam J.; Balke, Nina; Kalinin, Sergei V.

    2015-08-05

    Atomic force microscopy was used to monitor the macroscopic deformation in a delaminated Ti?C? paper electrode in-situ, during charge/discharge in a variety of aqueous electrolytes to examine the effect of the cation intercalation on the electrochemical behavior and mechanical response. The results show a strong dependence of the electrode deformation on cation size and charge. The electrode undergoes a large contraction during Li?, Na? or Mg? intercalation, differentiating the Ti?C? paper from conventional electrodes where redox intercalation of ions (e.g. Li?) into the bulk phase (e.g. graphite, silicon) results in volumetric expansion. This feature may explain the excellent rate performance and cyclability reported for MXenes. We also demonstrated that the variation of the electromechanical contraction can be easily adjusted by electrolyte exchange, and shows interesting characteristics for the design of actuators based on 2D metal carbides.

  12. Species characterization and responses of subcortical insects to trap-logs and ethanol in a hardwood biomass plantation: Subcortical insects in hardwood plantations

    SciTech Connect (OSTI)

    Coyle, David R.; Brissey, Courtney L.; Gandhi, Kamal J. K.

    2015-01-02

    1. We characterized subcortical insect assemblages in economically important eastern cottonwood (Populus deltoides Bartr.), sycamore (Platanus occidentalis L.) and sweetgum (Liquidambar styraciflua L.) plantations in the southeastern U.S.A. Furthermore, we compared insect responses between freshly-cut plant material by placing traps directly over cut hardwood logs (trap-logs), traps baited with ethanol lures and unbaited (control) traps. 2. We captured a total of 15 506 insects representing 127 species in four families in 2011 and 2013. Approximately 9% and 62% of total species and individuals, respectively, and 23% and 79% of total Scolytinae species and individuals, respectively, were non-native to North America. 3. We captured more Scolytinae using cottonwood trap-logs compared with control traps in both years, although this was the case with sycamore and sweetgum only in 2013. More woodborers were captured using cottonwood and sweetgum trap-logs compared with control traps in both years, although only with sycamore in 2013. 4. Ethanol was an effective lure for capturing non-native Scolytinae; however, not all non-native species were captured using ethanol lures. Ambrosiophilus atratus (Eichhoff) and Hypothenemus crudiae (Panzer) were captured with both trap-logs and control traps, whereas Coccotrypes distinctus (Motschulsky) and Xyleborus glabratus Eichhoff were only captured on trap-logs. 5. Indicator species analysis revealed that certain scolytines [e.g. Cnestus mutilates (Blandford) and Xylosandrus crassiusculus (Motschulsky)] showed significant associations with trap-logs or ethanol baits in poplar or sweetgum trap-logs. In general, the species composition of subcortical insects, especially woodboring insects, was distinct among the three tree species and between those associated with trap-logs and control traps.

  13. Cloning and first functional characterization of a plant cyclic nucleotide-gated cation channel

    SciTech Connect (OSTI)

    Leng, Q.; Mercier, R.W.; Yao, W.; Berkowitz, G.A.

    1999-11-01

    Cyclic nucleotide-gated (cng) non-selective cation channels have been cloned from a number of animal systems. These channels are characterized by direct gating upon cAMO or cGMO binding to the intracellular portion of the channel protein, which leads to an increase in channel conductance. Animal cng channels are involved in signal transduction systems; they translate stimulus-induced changes in cytosolic cyclic nucleotide into altered cell membrane potential and/or cation flux as part of a signal cascade pathway. Putative plant homologs of animal cng channels have been identified. However, functional characterization (i.e., demonstration of cyclic-nucleotide-dependent ion currents) of a plant cng channel has not yet been accomplished. The authors report the cloning and first functional characterization of a plant member of this family of ion channels. The Arabidopsis cDNA AtCNGC2 encodes a polypeptide with deduced homology to the {alpha}-subunit of animal channels, and facilitates cyclic nucleotide-dependent cation currents upon expression in a number of heterologous systems. AtCNGC2 expression in a yeast mutant lacking a low-affinity K{sup +} uptake system complements growth inhibition only when lipophilic nucleotides are present in the culture medium. Voltage clamp analysis indicates that Xenopus lawvis oocytes injected with AtCNGC2 cRNA demonstrate cyclic-nucleotide-dependent, inward-rectifying K{sup +} currents. Human embryonic kidney cells (HEK293) transfected with AtCNGC2 cDNA demonstrate increased permeability to Ca{sup 2+} only in the presence of lipophilic cyclic nucleotides. The evidence presented here supports the functional classification of AtCNGC2 as a cyclic-nucleotide-gated cation channel, and presents the first direct evidence identifying a plant member of this ion channel family.

  14. Water soluble/dispersible and easy removable cationic adhesives and coating for paper recycling

    DOE Patents [OSTI]

    Deng, Yulin; Yan, Zegui

    2005-11-29

    The present invention is an adhesive or coating composition that is dispersible or dissolvable in water, making it useful in as a coating or adhesive in paper intended for recycling. The composition of the present invention is cationically charged thereby binding with the fibers of the paper slurry and thus, resulting in reduced deposition of adhesives on equipment during the recycling process. The presence of the composition of the present invention results in stronger interfiber bonding in products produced from the recycled fibers.

  15. Strategies to Suppress Cation Vacancies in Metal Oxide Alloys: Consequences for Solar Energy Conversion

    SciTech Connect (OSTI)

    Toroker, Maytal; Carter, Emily A.

    2015-09-01

    First-row transition metal oxides (TMOs) are promising alternative materials for inexpensive and efficient solar energy conversion. However, their conversion efficiency can be deleteriously affected by material imperfections, such as atomic vacancies. In this work, we provide examples showing that in some iron-containing TMOs, iron cation vacancy formation can be suppressed via alloying. We calculate within density functional theory+U theory the iron vacancy formation energy in binary rock-salt oxide alloys that contain iron, manganese, nickel, zinc, and/or magnesium. We demonstrate that formation of iron vacancies is less favorable if we choose to alloy iron(II) oxide with metals that cannot readily accept vacancy-generated holes, e.g., magnesium, manganese, nickel, or zinc. Since there are less available sites for holes and the holes are forced to reside on iron cations, the driving force for iron vacancy formation decreases. These results are consistent with an experiment observing a sharp drop in cation vacancy concentration upon alloying iron(II) oxide with manganese.

  16. Use of MgO doped with a divalent or trivalent metal cation for removing arsenic from water

    DOE Patents [OSTI]

    Moore, Robert C; Holt-Larese, Kathleen C; Bontchev, Ranko

    2013-08-13

    Systems and methods for use of magnesium hydroxide, either directly or through one or more precursors, doped with a divalent or trivalent metal cation, for removing arsenic from drinking water, including water distribution systems. In one embodiment, magnesium hydroxide, Mg(OH).sub.2 (a strong adsorbent for arsenic) doped with a divalent or trivalent metal cation is used to adsorb arsenic. The complex consisting of arsenic adsorbed on Mg(OH).sub.2 doped with a divalent or trivalent metal cation is subsequently removed from the water by conventional means, including filtration, settling, skimming, vortexing, centrifugation, magnetic separation, or other well-known separation systems. In another embodiment, magnesium oxide, MgO, is employed, which reacts with water to form Mg(OH).sub.2. The resulting Mg(OH).sub.2 doped with a divalent or trivalent metal cation, then adsorbs arsenic, as set forth above. The method can also be used to treat human or animal poisoning with arsenic.

  17. Is the assumption of normality or log-normality for continuous response data critical for benchmark dose estimation?

    SciTech Connect (OSTI)

    Shao, Kan; Gift, Jeffrey S.; Setzer, R. Woodrow

    2013-11-01

    Continuous responses (e.g. body weight) are widely used in risk assessment for determining the benchmark dose (BMD) which is used to derive a U.S. EPA reference dose. One critical question that is not often addressed in doseresponse assessments is whether to model the continuous data as normally or log-normally distributed. Additionally, if lognormality is assumed, and only summarized response data (i.e., mean standard deviation) are available as is usual in the peer-reviewed literature, the BMD can only be approximated. In this study, using the hybrid method and relative deviation approach, we first evaluate six representative continuous doseresponse datasets reporting individual animal responses to investigate the impact on BMD/BMDL estimates of (1) the distribution assumption and (2) the use of summarized versus individual animal data when a log-normal distribution is assumed. We also conduct simulation studies evaluating model fits to various known distributions to investigate whether the distribution assumption has influence on BMD/BMDL estimates. Our results indicate that BMDs estimated using the hybrid method are more sensitive to the distribution assumption than counterpart BMDs estimated using the relative deviation approach. The choice of distribution assumption has limited impact on the BMD/BMDL estimates when the within dose-group variance is small, while the lognormality assumption is a better choice for relative deviation method when data are more skewed because of its appropriateness in describing the relationship between mean and standard deviation. Additionally, the results suggest that the use of summarized data versus individual response data to characterize log-normal distributions has minimal impact on BMD estimates. - Highlights: We investigate to what extent the distribution assumption can affect BMD estimates. Both real data analysis and simulation study are conducted. BMDs estimated using hybrid method are more sensitive to distribution assumption. Summarized continuous data are adequate for BMD estimation.

  18. Summary Report of Geophysical Logging For The Seismic Boreholes Project at the Hanford Site Waste Treatment Plant.

    SciTech Connect (OSTI)

    Gardner, Martin G.; Price, Randall K.

    2007-02-01

    During the period of June through October 2006, three deep boreholes and one corehole were drilled beneath the site of the Waste Treatment Plant (WTP) at the U.S. Department of Energy (DOE) Hanford Site near Richland, Washington. The boreholes were drilled to provide information on ground-motion attenuation in the basalt and interbedded sediments underlying the WTP site. This report describes the geophysical logging of the deep boreholes that was conducted in support of the Seismic Boreholes Project, defined below. The detailed drilling and geological descriptions of the boreholes and seismic data collected and analysis of that data are reported elsewhere.

  19. Identification and Characterization of Hydrogeologic Units at the Nevada Test Site Using Geophysical Logs: Examples from the Underground Test Area Project

    SciTech Connect (OSTI)

    Lance Prothro, Sigmund Drellack, Margaret Townsend

    2009-03-25

    The diverse and complex geology of the Nevada Test Site region makes for a challenging environment for identifying and characterizing hydrogeologic units penetrated by wells drilled for the U.S. Department of Energy, National Nuclear Security Administration, Underground Test Area (UGTA) Environmental Restoration Sub-Project. Fortunately, UGTA geoscientists have access to large and robust sets of subsurface geologic data, as well as a large historical knowledge base of subsurface geological analyses acquired mainly during the underground nuclear weapons testing program. Of particular importance to the accurate identification and characterization of hydrogeologic units in UGTA boreholes are the data and interpretation principles associated with geophysical well logs. Although most UGTA participants and stakeholders are probably familiar with drill hole data such as drill core and cuttings, they may be less familiar with the use of geophysical logs; this document is meant to serve as a primer on the use of geophysical logs in the UGTA project. Standard geophysical logging tools used in the UGTA project to identify and characterize hydrogeologic units are described, and basic interpretation principles and techniques are explained. Numerous examples of geophysical log data from a variety of hydrogeologic units encountered in UGTA wells are presented to highlight the use and value of geophysical logs in the accurate hydrogeologic characterization of UGTA wells.

  20. Consortium for coal log pipeline research and development. Final technical progress report, August 10, 1993--August 9, 1996

    SciTech Connect (OSTI)

    Marrero, T.R.

    1996-10-01

    The main objective of this project was to conduct intensive research and development of the Coal Log Pipeline (CLP). Specifically, the R & D was to concentrate on previously neglected and insufficiently studied aspects of CLP which were deemed significant. With improvements in these areas, CLP could be implemented for commercial use within five years. CLP technology is capable of transporting coal logs for long distances. The many potential advantages of CLP over truck and railroad transportation include: lower freight costs, less energy consumption, less air pollution, decreased environmental problems, increased safety, and improved reliability. Previous studies have shown that CLP is advantageous over slurry pipeline technology. First, CLP uses one-third the water required by a coal slurry pipeline. Second, CLP provides easier coal dewatering. Third, the CLP conveying capacity of coal is twice as much as a slurry transport line of equal diameter. In many situations, the cost for transporting each ton of coal is expected to be less expensive by CLP as compared to other competing modes of transportation such as: truck, unit train and slurry pipeline.

  1. 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.

  2. Synergistic extraction of some univalent cations into nitrobenzene by using cesium dicarbollylcobaltate and calix[4]arene-...

    SciTech Connect (OSTI)

    Makrlik, Emanuel; Selucky, P.; Vanura, Petr; Moyer, Bruce A

    2013-01-01

    From extraction experiments and c-activity measurements, the exchange extraction constants corresponding to the general equilibrium M+ (aq) + CsL+ (nb) , ML+ (nb) + Cs+ (aq) taking place in the two-phase water nitrobenzene system (M+ = K+, Rb+, NH+4,Ag+, Tl+; L = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, nb = nitrobenzene phase) were evaluated. Furthermore, the stability constants of the ML+ complexes in nitrobenzene saturated with water were calculated; they were found to increase in the following cation order: NH+4 < K+ < Ag+ < Rb+ < Tl+.

  3. Cation-substituted spinel oxide and oxyfluoride cathodes for lithium ion batteries

    DOE Patents [OSTI]

    Manthiram, Arumugam; Choi, Wongchang

    2014-05-13

    The present invention includes compositions and methods of making cation-substituted and fluorine-substituted spinel cathode compositions by firing a LiMn.sub.2-y-zLi.sub.yM.sub.zO.sub.4 oxide with NH.sub.4HF.sub.2 at low temperatures of between about 300 and 700.degree. C. for 2 to 8 hours and a .eta. of more than 0 and less than about 0.50, mixed two-phase compositions consisting of a spinel cathode and a layered oxide cathode, and coupling them with unmodified or surface modified graphite anodes in lithium ion cells.

  4. Modeling cation diffusion in compacted water-saturatedNa-bentonite at low ionic strength

    SciTech Connect (OSTI)

    Bourg, Ian C.; Sposito, Garrison; Bourg, Alain C.M.

    2007-08-28

    Sodium bentonites are used as barrier materials for the isolation of landfills and are under consideration for a similar use in the subsurface storage of high-level radioactive waste. The performance of these barriers is determined in large part by molecular diffusion in the bentonite pore space. We tested two current models of cation diffusion in bentonite against experimental data on the relative apparent diffusion coefficients of two representative cations, sodium and strontium. On the 'macropore/nanopore' model, solute molecules are divided into two categories, with unequal pore-scale diffusion coefficients, based on location: in macropores or in interlayer nanopores. On the 'surface diffusion' model, solute molecules are divided into categories based on chemical speciation: dissolved or adsorbed. The macropore/nanopore model agrees with all experimental data at partial montmorillonite dry densities ranging from 0.2 (a dilute bentonite gel) to 1.7 kg dm{sup -3} (a highly compacted bentonite with most of its pore space located in interlayer nanopores), whereas the surface diffusion model fails at partial montmorillonite dry densities greater than about 1.2 kg dm{sup -3}.

  5. Unexpected Actinyl Cation-Directed Structural Variation in Neptunyl(VI) A-Type Tri-lacunary Heteropolyoxotungstate Complexes

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

    Berg, John M.; Gaunt, Andrew J.; May, Iain; Pugmire, Alison L.; Reilly, Sean D.; Scott, Brian L.; Wilkerson, Marianne P.

    2015-04-22

    A-type tri-lacunary heteropolyoxotungstate anions (e.g., [PW9O34]9-, [AsW9O34]9-, [SiW9O34]10- and [GeW9O34]10-) are multi-dentate oxygen donor ligands that readily form sandwich complexes with actinyl cations ({UO2}2+, {NpO2}+, {NpO2}2+ & {PuO2}2+) in near neutral/slightly alkaline aqueous solutions. Two or three actinyl cations are sandwiched between two trilacunary anions, with additional cations (Na+, K+ or NH4 +) also often held within the cluster. Studies thus far have indicated that it is these additional +I cations, rather than the specific actinyl cation, that direct the structural variation in the complexes formed. We now report the structural characterization of the neptunyl (VI) cluster complex (NH4)13 [Na(NpO2)2(A-α-more » PW9O34)2]·12H2O. The anion in this complex, [Na(NpO2)2(PW9O34)2]13-, contains one Na+ cation and two {NpO2}2+ cations held between two [PW9O34]9- anions – with an additional partial occupancy NH4 + or {NpO2}2+ cation also present. In the analogous uranium (VI) system, under similar reaction conditions that includes an excess of NH4Cl in the parent solution, it was previously shown that [(NH4)2(UVIO2)2(A-PW9O34)2]12- is the dominant species in both solution and the crystallized salt. Spectroscopic studies provide further proof of differences in the observed chemistry for the {NpO2}2+/[PW9O34]9- and {UO2}2+/[PW9O34]9- systems, both in solution and in solid state complexes crystallized from comparable salt solutions. The work revealed that varying the actinide element (Np vs. U) can indeed measurably impact structure and complex stability in the cluster chemistry of actinyl (VI) cations with A-type tri-lacunary heteropolyoxotungstate anions.« less

  6. Methods and apparatus to produce stick-slip motion of logging tool attached to a wireline drawn upward by a continuously rotating wireline drum

    DOE Patents [OSTI]

    Vail, III, William Banning (Bothell, WA); Momii, Steven Thomas (Seattle, WA)

    1998-01-01

    Methods and apparatus are described to produce stick-slip motion of a logging tool within a cased well attached to a wireline that is drawn upward by a continuously rotating wireline drum. The stick-slip motion results in the periodic upward movement of the tool in the cased well described in terms of a dwell time during which time the tool is stationary, the move time during which time the tool moves, and the stroke that is upward distance that the tool translates during the "slip" portion of the stick-slip motion. This method of measurement is used to log the well at different vertical positions of the tool. Therefore, any typical "station-to-station logging tool" may be modified to be a "continuous logging tool", where "continuous" means that the wireline drum continually rotates while the tool undergoes stick-slip motion downhole and measurements are performed during the dwell times when the tool is momentarily stationary. The stick-slip methods of operation and the related apparatus are particularly described in terms of making measurements of formation resistivity from within a cased well during the dwell times when the tool is momentarily stationary during the periodic stick-slip motion of the logging tool.

  7. Methods and apparatus to produce stick-slip motion of logging tool attached to a wireline drawn upward by a continuously rotating wireline drum

    DOE Patents [OSTI]

    Vail, W.B. III; Momii, S.T.

    1998-02-10

    Methods and apparatus are described to produce stick-slip motion of a logging tool within a cased well attached to a wireline that is drawn upward by a continuously rotating wireline drum. The stick-slip motion results in the periodic upward movement of the tool in the cased well described in terms of a dwell time during which time the tool is stationary, the move time during which time the tool moves, and the stroke that is upward distance that the tool translates during the ``slip`` portion of the stick-slip motion. This method of measurement is used to log the well at different vertical positions of the tool. Therefore, any typical ``station-to-station logging tool`` may be modified to be a ``continuous logging tool,`` where ``continuous`` means that the wireline drum continually rotates while the tool undergoes stick-slip motion downhole and measurements are performed during the dwell times when the tool is momentarily stationary. The stick-slip methods of operation and the related apparatus are particularly described in terms of making measurements of formation resistivity from within a cased well during the dwell times when the tool is momentarily stationary during the periodic stick-slip motion of the logging tool. 12 figs.

  8. Geothermometry At Lassen Volcanic National Park Area (Janik ...

    Open Energy Info (EERE)

    sample taken had a pH of 8.35 and contained 2100 ppm Cl and 0.55 ppm NH3. Ratios of Na+K+ and Na+Cl remained nearly constant throughout the flow test. Cation geothermometers...

  9. Gas-phase reactions of polycyclic aromatic hydrocarbon cations and their nitrogen-containing analogs with H atoms

    SciTech Connect (OSTI)

    Demarais, Nicholas J.; Yang, Zhibo; Bierbaum, Veronica M. [Department of Chemistry and Biochemistry, 215 UCB, University of Colorado, Boulder, CO 80309-0215 (United States); Snow, Theodore P., E-mail: Nicholas.Demarais@Colorado.edu, E-mail: Zhibo.Yang@ou.edu, E-mail: Veronica.Bierbaum@Colorado.edu, E-mail: Theodore.Snow@Colorado.edu [Center for Astrophysics and Space Astronomy, 389 UCB, University of Colorado, Boulder, CO 80309-0389 (United States)

    2014-03-20

    We have studied the reactions of polycyclic aromatic hydrocarbon cations and their nitrogen-containing analogs with H atoms. Reaction rate constants are measured at 300 K using a flowing afterglow-selected ion flow tube. We have implemented the laser induced acoustic desorption technique to allow the study of large, non-volatile species in the gas phase. The extension of this work from previous studies shows that the reactivity of polycyclic aromatic hydrocarbon cations with H atoms reaches a constant value for large cations. There is a small difference in reactivity when comparing molecules of different size and geometry; however, no difference in reactivity was found when nitrogen was incorporated into the ring.

  10. Phenolic cation-exchange resin material for recovery of cesium and strontium. [Patent application

    DOE Patents [OSTI]

    Ebra, M.A.; Wallace, R.M.

    1982-05-05

    A phenolic cation exchange resin with a chelating group has been prepared by reacting resorcinol with iminodiacetic acid in the presence of formaldehyde at a molar ratio of about 1:1:6. The material is highly selective for the simultaneous recovery of both cesium and strontium from aqueous alkaline solutions, such as, aqueous alkaline nuclear wate solutions. The organic resins are condensation polymers of resorcinol and formaldehyde with attached chelating groups. The column performance of the resins compares favorably with that of commercially available resins for either cesium or strontium removal. By combining Cs/sup +/ and Sr/sup 2 +/ removal in the same bed, the resins allow significant reduction of the size and complexity of facilities for processing nuclear waste.

  11. A theoretical study of the reaction paths for cobalt cation + propane

    SciTech Connect (OSTI)

    Fedorov, D.G.; Gordon, M.S.

    2000-03-23

    The triplet potential energy surface for the reaction of cobalt cation with propane has been studied along the two main reaction pathways leading to the formation of (1) hydrogen and propene and (2) methane and ethene. Effective core potentials for all elements have been used for all calculations. The geometries have been optimized at the complete active space self-consistent field (CASSCF) level of theory, and the final energetics have been refined at the multireference second-order perturbation theory (MRMP2) level with polarization function augmented basis sets. Reasonable agreement with the experimental energetics has been obtained, and the predicted mechanism is consistent with the experimentally determined mechanism of Haynes, Fisher, and Armentrout (J.Phys.Chem. 1996, 100, 18300).

  12. Aqueous precipitation: Population balance modeling and control in multi-cation systems

    SciTech Connect (OSTI)

    Voigt, J.A.

    1996-03-01

    Efficient separation of metal species from aqueous streams by precipitation techniques requires a fundamental understanding of the processes that occur during precipitation. These processes include particle nucleation, particle growth by solute deposition, agglomerate formation, and agglomerate breakup. Population balance method has been used to develop a kinetic model that accounts for these competing kinetic processes. The usefulness of the model is illustrated through its application to precipitation of yttrium hydroxynitrate, YHN. Kinetic parameters calculated from the model equations and system-specific solution chemistry are used to describe several aspects of the effect of pH on YHN precipitation. Implications for simultaneous precipitation of more than one cation type are discussed with examples. Effects of solution chemistry, precipitator design, and solvent choice are considered.

  13. Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores

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

    Uberuaga, Blas Pedro; Tang, Ming; Jiang, Chao; Valdez, James A.; Smith, Roger; Wang, Yongqiang; Sickafus, Kurt E.

    2015-10-29

    Understanding and predicting radiation damage evolution in complex materials is crucial for developing next-generation nuclear energy sources. Here, using a combination of ion beam irradiation, transmission electron microscopy and X-ray diffraction, we show that, contrary to the behaviour observed in pyrochlores, the amorphization resistance of spinel compounds correlates directly with the energy to disorder the structure. Using a combination of atomistic simulation techniques, we ascribe this behaviour to structural defects on the cation sublattice that are present in spinel but not in pyrochlore. Specifically, because of these structural defects, there are kinetic pathways for the relaxation of disorder in spinelmore » that are absent in pyrochlore. This leads to a direct correlation between amorphization resistance and disordering energetics in spinel, the opposite of that observed in pyrochlores. Furthermore, these results provide new insight into the origins of amorphization resistance in complex oxides beyond fluorite derivatives.« less

  14. Preparation of metallic cation conducting polymers based on sterically hindered phenols containing polymeric systems

    DOE Patents [OSTI]

    Skotheim, T.A.; Okamoto, Yoshiyuki; Lee, H.S.

    1989-11-21

    The present invention relates to ion-conducting solvent-free polymeric systems characterized as being cationic single ion conductors. The solvent-free polymer electrolytes comprise a flexible polymer backbone to which is attached a metal salt, such as a lithium, sodium or potassium salt, of a sterically hindered phenol. The solid polymer electrolyte may be prepared either by (1) attaching the hindered phenol directly to a flexible polymeric backbone, followed by neutralization of the phenolic OH's or (2) reacting the hindered phenol with a polymer precursor which is then polymerized to form a flexible polymer having phenolic OH's which are subsequently neutralized. Preferably the hindered phenol-modified polymeric backbone contains a polyether segment. The ionic conductivity of these solvent-free polymer electrolytes has been measured to be in the range of 10[sup [minus]4] to 10[sup [minus]7] S cm[sup [minus]1] at room temperature.

  15. Cationic quaternization of cellulose with methacryloyloxy ethyl trimethyl ammonium chloride via ATRP method

    SciTech Connect (OSTI)

    Supeno; Daik, Rusli; El-Sheikh, Said M.

    2014-09-03

    The synthesis of a cationic cellulose copolymer from cellulose macro-initiator (MCC-BiB) and quaternary compound monomer (METMA) via atom transfer radical polymerization (ATRP) was studied. By using dimethylformamide (DMF), the optimum condition for successful synthesis was at the mole ratio of MCC-BIB:Catalyst:METMA = 1:1:26. The highest copolymer recovery was 93.2 % for 6 h and at 40C. The copolymer was insoluble in weak polar solvents such as THF and DMF but soluble in methanol and water. The chemistry of cellulose copolymer was confirmed by the FTIR and TGA in which the METMA monomer was used as a reference. The absence of CC bond in the CiB-g-METMA spectrum indicated that graft copolymerization occurred.

  16. Phenolic cation exchange resin material for recovery of cesium and strontium

    DOE Patents [OSTI]

    Ebra, Martha A.; Wallace, Richard M.

    1983-01-01

    A phenolic cation exchange resin with a chelating group has been prepared by reacting resorcinol with iminodiacetic acid in the presence of formaldehyde at a molar ratio of about 1:1:6. The material is highly selective for the simultaneous recovery of both cesium and strontium from aqueous alkaline solutions, such as, aqueous alkaline nuclear waste solutions. The organic resins are condensation polymers of resorcinol and formaldehyde with attached chelating groups. The column performance of the resins compares favorably with that of commercially available resins for either cesium or strontium removal. By combining Cs.sup.+ and Sr.sup.2+ removal in the same bed, the resins allow significant reduction of the size and complexity of facilities for processing nuclear waste.

  17. Single-stage separation and esterification of cation salt carboxylates using electrodeionization

    DOE Patents [OSTI]

    Lin, YuPo J.; Henry, Michael; Hestekin, Jamie; Snyder, Seth W.; St. Martin, Edward J.

    2006-11-28

    A method of and apparatus for continuously making an organic ester from a lower alcohol and an organic acid is disclosed. An organic acid or salt is introduced or produced in an electrode ionization (EDI) stack with a plurality of reaction chambers each formed from a porous solid ion exchange resin wafer interleaved between anion exchange membranes or an anion exchange membrane and a cation exchange membrane or an anion exchange membrane and a bipolar exchange membranes. At least some reaction chambers are esterification chambers and/or bioreactor chambers and/or chambers containing an organic acid or salt. A lower alcohol in the esterification chamber reacts with an anion to form an organic ester and water with at least some of the water splitting with the ions leaving the chamber to drive the reaction.

  18. Cation-substituted spinel oxide and oxyfluoride cathodes for lithium ion batteries

    DOE Patents [OSTI]

    Manthiram, Arumugam; Choi, Wonchang

    2010-05-18

    The present invention includes compositions and methods of making cation-substituted and fluorine-substituted spinel cathode compositions by firing a LiMn2-y-zLiyMzO4 oxide with NH4HF2 at low temperatures of between about 300 and 700.degree. C. for 2 to 8 hours and a .eta. of more than 0 and less than about 0.50, mixed two-phase compositions consisting of a spinel cathode and a layered oxide cathode, and coupling them with unmodified or surface modified graphite anodes in lithium ion cells.

  19. Preparation of metallic cation conducting polymers based on sterically hindered phenols containing polymeric systems

    DOE Patents [OSTI]

    Skotheim, Terje A. (Shoreham, NY); Okamoto, Yoshiyuki (Fort Lee, NJ); Lee, Hung S. (Woodside, NY)

    1989-01-01

    The present invention relates to ion-conducting solvent-free polymeric systems characterized as being cationic single ion conductors. The solvent-free polymer electrolytes comprise a flexible polymer backbone to which is attached a metal salt, such as a lithium, sodium or potassium salt, of a sterically hindered phenol. The solid polymer electrolyte may be prepared either by (1) attaching the hindered phenol directly to a flexible polymeric backbone, followed by neutralization of the phenolic OH's or (2) reacting the hindered phenol with a polymer precursor which is then polymerized to form a flexible polymer having phenolic OH's which are subsequently neutralized. Preferably the hindered phenol-modified polymeric backbone contains a polyether segment. The ionic conductivity of these solvent-free polymer electrolytes has been measured to be in the range of 10.sup.-4 to 10.sup.-7 S cm.sup.-1 at room temperature.

  20. A Hybrid Redox-Supercapacitor System with Anionic Catholyte and Cationic Anolyte

    SciTech Connect (OSTI)

    Wang, B; Macia-Agullo, JA; Prendiville, DG; Zheng, X; Liu, D; Zhang, Y; Boettcher, SW; Ji, X; Stucky, GD

    2014-04-11

    A significant challenge for energy storage technologies is to realize battery-level energy density and capacitor-level durability and power density in one device. By introducing an electrolyte composed of an anionic catholyte and a cationic anolyte into a symmetric carbon-based supercapacitor configuration, a hybrid electrochemical battery-supercapacitor system using soluble redox species delivers significantly improved energy density from 20 to 42 W.h/kg (based on the electrode mass) and stable capacities for > 10(4) cycles. The ionic species formed in the electrolyte are studied by UV-Vis, Raman and mass spectroscopy to probe the energy storage mechanism. The strategy is general and may provide a route to critically-needed fast-charging devices with both high energy density and power. (C) 2014 The Electrochemical Society. All rights reserved.

  1. Computational study of the energetics of charge and cation mixing in U1-xCexO₂

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

    Hanken, B. E.; Stanek, C. R.; Grønbech-Jensen, N.; Asta, M.

    2011-08-26

    The formalism of electronic density-functional theory (DFT), with Hubbard-U corrections (DFT+U), is employed in a computational study of the energetics of fluorite-structured U1-xCexO₂ mixtures. The computational approach makes use of a procedure which facilitates convergence of the calculations to multiple self-consistent DFT+U solutions for a given cation arrangement, corresponding to different charge states for the U and Ce ions in several prototypical cation arrangements. Results indicate a significant dependence of the structural and energetic properties on the nature of both charge and cation ordering. With the effective Hubbard-U parameters that reproduce well the measured oxidation-reduction energies for urania and ceria,more » we find that charge transfer between U⁴⁺ and Ce⁴⁺ ions, leading to the formation of U⁵⁺ and Ce³⁺, gives rise to an increase in the mixing energy in the range of 4–14 kJ/mol of the formula unit, depending on the nature of the cation ordering. The results suggest that although charge transfer between uranium and cerium ions is disfavored energetically, it is likely to be entropically stabilized at the high temperatures relevant to the processing and service of urania-based solid solutions.« less

  2. Logging in to Franklin

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

    Freedom is suitable for running memory-intensive utilities and serial programs like IDL, DDT, parallel make, hsi, and htar. The command to access Freedom is: % ssh -l username...

  3. FOIA Log 2014.xlsx

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

    Closed Corespond ance No. FOIA No. Dated Date Rec'd Requestor HQ, EMCBC or Direct Subject 1/21/14 14-0103 14-001 1/21/2013 12/20/2013 Kelly Vaselli/Fadduol, Cluff & Hardy, P.C. Direct WIPP Fire/Medic Personnel Responding to an Oilfield Fire at XTO Well "Nash49H" on November 8, 2012 4/2/14 14-0126 14-002 2/17/2014 2/17/2014 Zack Ponce, Reporter @ Carlsbad Curren Direct Records Relating to the Inspection Reports for Fire Suppression Systems and CAMs Used in the U/G from 01/01/2010

  4. FOIA Log 2013.xlsx

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

    121013 13-0168 13-005 11182013 11262013 Jeanne Haffner, Dept. of the History of Science, Harvard University Direct Request for All Records Related to PICs, or Marker for...

  5. FOIA Log 2012.xlsx

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

    Rec'd Requestor HQ, EMCBC or Direct Subject 11012 12-0004 12-001 12272011 192012 Alison D. MetzlerSullivan Papain Block McGrath & Cannovo P.C. DirectTransferred to Chicago...

  6. Job Logs & Statistics

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

    Software Policies User Surveys NERSC Users Group User Announcements Help Staff Blogs Request Repository Mailing List Operations for: Passwords & Off-Hours Status...

  7. Logging in to Hopper

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

    it so that the applications run on the Hopper compute nodes. Accelerated X11 Performance NX is a freely available software package that greatly improves X11 performance over the...

  8. Logging in to Edison

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

    so that the applications run on the Edison compute nodes. Accelerated X11 Performance NX is a freely available software package that greatly improves X11 performance over the...

  9. Recovery Efficiency Test Project: Phase 1, Activity report. Volume 1: Site selection, drill plan preparation, drilling, logging, and coring operations

    SciTech Connect (OSTI)

    Overbey, W.K. Jr.; Carden, R.S.; Kirr, J.N.

    1987-04-01

    The recovery Efficiency Test well project addressed a number of technical issues. The primary objective was to determine the increased efficiency gas recovery of a long horizontal wellbore over that of a vertical wellbore and, more specifically, what improvements can be expected from inducing multiple hydraulic fractures from such a wellbore. BDM corporation located, planned, and drilled a long radius turn horizontal well in the Devonian shale Lower Huron section in Wayne County, West Virginia, demonstrating that state-of-the-art technology is capable of drilling such wells. BDM successfully tested drilling, coring, and logging in a horizontal well using air as the circulating medium; conducted reservoir modeling studies to protect flow rates and reserves in advance of drilling operations; observed two phase flow conditions in the wellbore not observed previously; cored a fracture zone which produced gas; observed that fractures in the core and the wellbore were not systematically spaced (varied from 5 to 68 feet in different parts of the wellbore); observed that highest gas show rates reported by the mud logger corresponded to zone with lowest fracture spacing (five feet) or high fracture frequency. Four and one-half inch casting was successfully installed in the borehole and was equipped to isolate the horizontal section into eight (8) zones for future testing and stimulation operations. 6 refs., 48 figs., 10 tabs.

  10. Cation ordering and effect of biaxial strain in double perovskite CsRbCaZnCl6

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

    Pilania, G.; Uberuaga, B. P.

    2015-03-19

    Here, we investigate the electronic structure, energetics of cation ordering, and effect of biaxial strain on double perovskite CsRbCaZnCl6 using first-principles calculations based on density functional theory. The two constituents (i.e., CsCaCl3 and RbZnCl3) forming the double perovskite exhibit a stark contrast. While CsCaCl3 is known to exist in a cubic perovskite structure and does not show any epitaxial strain induced phase transitions within an experimentally accessible range of compressive strains, RbZnCl3 is thermodynamically unstable in the perovskite phase and exhibits ultra-sensitive response at small epitaxial strains if constrained in the perovskite phase. We show that combining the two compositionsmore » in a double perovskite structure not only improves overall stability but also the strain-polarization coupling of the material. Our calculations predict a ground state with P4/nmm space group for the double perovskite, where A-site cations (i.e., Cs and Rb) are layer-ordered and B-site cations (i.e., Ca and Zn) prefer a rocksalt type ordering. The electronic structure and bandgap in this system are shown to be quite sensitive to the B-site cation ordering and is minimally affected by the ordering of A-site cations. We find that at experimentally accessible compressive strains CsRbCaZnCl6 can be phase transformed from its paraelectric ground state to an antiferroelectric state, where Zn atoms contribute predominantly to the polarization. Furthermore, both energy difference and activation barrier for a transformation between this antiferroelectric state and the corresponding ferroelectric configuration are predicted to be small. As a result, the computational approach presented here opens a new pathway towards a rational design of novel double perovskites with improved strain response and functionalities.« less

  11. Colloid-Facilitated Transport of Cations in an Unsaturated Fractured Soil Under Transient Conditions

    SciTech Connect (OSTI)

    Ryan, Joseph

    2015-01-31

    Rainfall experiments were conducted using intact soil cores and an instrumented soil pedon to examine the effect of physical heterogeneity and rainfall characteristics on the mobilization of colloids, organic matter, cesium, and strontium in a fractured soil. To measure the spatial variability of infiltration of colloids and contaminants, samples were collected through a 19-port grid placed below the soil core in laboratory study and in 27 samplers at multiple depths in the soil pedon in the field study. Cesium and strontium were applied to the soil cores and the soil pedon prior to mobilization experiments. Rainwater solutions of multiple ionic strengths and organic matter concentrations were applied to the soil cores and soil pedon to mobilize in situ colloids, cesium, and strontium. The mobilization of colloids and metal cations occurred through preferential flow paths in the soil cores. Compared to steady rainfall, greater amounts of colloids were mobilized during rainfall interrupted by pauses, which indicates that the supply of colloids to be mobilized was replenished during the pauses. A maximum in the amount of mobilized colloids were mobilized during a rainfall following a pause of 2.5 d. Pauses of shorter or longer duration resulted in less colloid mobilization. Freeze-thaw cycles, a transient condition in winter, enhanced colloid mobilization and colloid-facilitated transport of cesium and strontium in the soil cores. The exchange of solutes between the soil matrix and macropores caused a hysteretic mobilization of colloids, cesium, and strontium during changes in ionic strength. Colloid-facilitated mobilization of cesium and strontium was important at low ionic strength in fractures where slow flow allowed greater exchange of flow between the fractures and the surrounding matrix. The release of cesium and strontium by cation exchange occurred at high ionic strength in fractures where there is a little exchange of pore water with the surrounding matrix. The results of the field experiment suggested that ion exchange, and not organic matter- or colloid-facilitated transport, was the dominant mechanism for mobilization of cesium and strontium through the macropores of the fractured soil.

  12. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Fort Vancouver National Historic Site

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-03-01

    Battelle Energy Alliance, LLC, managing and operating contractor for the U.S. Department of Energys Idaho National Laboratory, is the lead laboratory for the U.S. Department of Energys Advanced Vehicle Testing. Battelle Energy Alliance, LLC contracted with Intertek Testing Services, North America (ITSNA) to collect data on federal fleet operations as part of the Advanced Vehicle Testing Activitys Federal Fleet Vehicle Data Logging and Characterization study. The Advanced Vehicle Testing Activity study seeks to collect data to validate the use of advanced electric drive vehicle transportation. This report focuses on the Fort Vancouver National Historic Site (FVNHS) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of electric vehicles (EVs) into the agencies fleet. Individual observations of the selected vehicles provided the basis for recommendations related to EV adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles) could fulfill the mission requirements. FVNHS identified three vehicles in its fleet for consideration. While the FVNHS vehicles conduct many different missions, only two (i.e., support and pool missions) were selected by agency management to be part of this fleet evaluation. The logged vehicles included a pickup truck and a minivan. This report will show that BEVs and PHEVs are capable of performing the required missions and providing an alternative vehicle for both mission categories, because each has sufficient range for individual trips and time available each day for charging to accommodate multiple trips per day. These charging events could occur at the vehicles home base, high-use work areas, or in intermediate areas along routes that the vehicles frequently travel. Replacement of vehicles in the current fleet would result in significant reductions in emission of greenhouse gases and petroleum use, while also reducing fuel costs. The Vancouver, Washington area and neighboring Portland, Oregon are leaders in adoption of PEVs in the United States1. PEV charging stations, or more appropriately identified as electric vehicle supply equipment, located on the FVNHS facility would be a benefit for both FVNHS fleets and general public use. Fleet drivers and park visitors operating privately owned plug-in electric vehicles benefit by using the charging infrastructure. ITSNA recommends location analysis of the FVNHS site to identify the optimal station placement for electric vehicle supply equipment. ITSNA recognizes the support of Idaho National Laboratory and ICF International for their efforts to initiate communication with the National Parks Service and FVNHS for participation in this study. ITSNA is pleased to provide this report and is encouraged by the high interest and support from the National Park Service and FVNHS personnel

  13. Determination of Transport Properties From Flowing Fluid Temperature LoggingIn Unsaturated Fractured Rocks: Theory And Semi-Analytical Solution

    SciTech Connect (OSTI)

    Mukhopadhyay, Sumit; Tsang, Yvonne W.

    2008-08-01

    Flowing fluid temperature logging (FFTL) has been recently proposed as a method to locate flowing fractures. We argue that FFTL, backed up by data from high-precision distributed temperature sensors, can be a useful tool in locating flowing fractures and in estimating the transport properties of unsaturated fractured rocks. We have developed the theoretical background needed to analyze data from FFTL. In this paper, we present a simplified conceptualization of FFTL in unsaturated fractured rock, and develop a semianalytical solution for spatial and temporal variations of pressure and temperature inside a borehole in response to an applied perturbation (pumping of air from the borehole). We compare the semi-analytical solution with predictions from the TOUGH2 numerical simulator. Based on the semi-analytical solution, we propose a method to estimate the permeability of the fracture continuum surrounding the borehole. Using this proposed method, we estimated the effective fracture continuum permeability of the unsaturated rock hosting the Drift Scale Test (DST) at Yucca Mountain, Nevada. Our estimate compares well with previous independent estimates for fracture permeability of the DST host rock. The conceptual model of FFTL presented in this paper is based on the assumptions of single-phase flow, convection-only heat transfer, and negligible change in system state of the rock formation. In a sequel paper [Mukhopadhyay et al., 2008], we extend the conceptual model to evaluate some of these assumptions. We also perform inverse modeling of FFTL data to estimate, in addition to permeability, other transport parameters (such as porosity and thermal conductivity) of unsaturated fractured rocks.

  14. Independent control of the shape and composition of ionic nanocrystals through sequential cation exchange reactions

    SciTech Connect (OSTI)

    Luther, Joseph Matthew; Zheng, Haimei; Sadtler, Bryce; Alivisatos, A. Paul

    2009-07-06

    Size- and shape-controlled nanocrystal growth is intensely researched for applications including electro-optic, catalytic, and medical devices. Chemical transformations such as cation exchange overcome the limitation of traditional colloidal synthesis, where the nanocrystal shape often reflects the inherent symmetry of the underlying lattice. Here we show that nanocrystals, with established synthetic protocols for high monodispersity, can be templates for independent composition control. Specifically, controlled interconversion between wurtzite CdS, chalcocite Cu2S, and rock salt PbS occurs while preserving the anisotropic dimensions unique to the as-synthesized materials. Sequential exchange reactions between the three sulfide compositions are driven by the disparate solubilites of the metal ion exchange pair in specific coordinating molecules. Starting with CdS, highly anisotropic PbS nanorods are created, which serve as an important material for studying strong 2-dimensional quantum confinement, as well as for optoelectronic applications. Furthermore, interesting nanoheterostructures of CdS|PbS are obtained by precise control over ion insertion and removal.

  15. Atomistic Studies of Cation Transport in Tetragonal ZrO2 During Zirconium Corrosion

    SciTech Connect (OSTI)

    Xian-Ming Bai; Yongfeng Zhang; Michael R. Tonks

    2013-10-01

    Zirconium alloys are the major fuel cladding materials in current reactors. The water-side corrosion is one of the major degradation mechanisms of these alloys. During corrosion the transport of oxidizing species in zirconium dioxide (ZrO2) determines the corrosion kinetics. Previously it has been argued that the outward diffusion of cation ions is important for forming protective oxides. In this work, the migration of Zr defects in tetragonal ZrO2 is studied with temperature accelerated dynamics and molecular dynamics simulations. The results show that Zr interstitials have anisotropic diffusion and migrate preferentially along the [001] or c direction in tetragonal ZrO2. The compressive stresses can increase the Zr interstitial migration barrier significantly. The migration barriers of some defect clusters can be much lower than those of point defects. The migration of Zr interstitials at some special grain boundaries is much slower than in a bulk oxide. The implications of these atomistic simulation results in the Zr corrosion are discussed.

  16. A search for the sulphur hexafluoride cation with intense, few cycle laser pulses

    SciTech Connect (OSTI)

    Dota, Krithika; Mathur, Deepak; Centre for Atomic and Molecular Physics, Manipal University, Manipal 576 104 ; Dharmadhikari, Aditya K.; Dharmadhikari, Jayashree A.; Patra, Kaustuv; Tiwari, Ashwani K.

    2013-11-21

    It is well established that upon ionization of sulphur hexafluoride, the SF{sub 6}{sup +} ion is never observed in mass spectra. Recent work with ultrashort intense laser pulses has offered indications that when strong optical field are used, the resulting bond hardening can induce changes in the potential energy surfaces of molecular cations such that molecular ions that are normally unstable may, indeed, become metastable enough to enable their detection by mass spectrometry. Do intense, ultrashort laser pulses permit formation of SF{sub 6}{sup +}? We have utilized intense pulses of 5 fs, 11 fs, and 22 fs to explore this possibility. Our results are negative: no evidence is discovered for SF{sub 6}{sup +}. However, multiply charged sulphur and fluorine ions from highly charged SF{sub 6}{sup q+} ions are observed that enable us to resolve the controversy regarding the kinetic energy release accompanying formation of F{sup +} fragment ions. Quantum chemical computations of field-distorted potential energy curves of SF{sub 6} and its molecular ion enable us to rationalize our non-observation of SF{sub 6}{sup +}. Our findings have implications for high harmonic generation from SF{sub 6} in the few-cycle regime.

  17. Millisecond Kinetics of Nanocrystal Cation Exchange UsingMicrofluidic X-ray Absorption Spectroscopy

    SciTech Connect (OSTI)

    Chan, Emory M.; Marcus, Matthew A.; Fakra, Sirine; Elnaggar,Mariam S.; Mathies, Richard A.; Alivisatos, A. Paul

    2007-05-07

    We describe the use of a flow-focusing microfluidic reactorto measure the kinetics of theCdSe-to-Ag2Se nanocrystal cation exchangereaction using micro-X-ray absorption spectroscopy (mu XAS). The smallmicroreactor dimensions facilitate the millisecond mixing of CdSenanocrystal and Ag+ reactant solutions, and the transposition of thereaction time onto spatial coordinates enables the in situ observation ofthe millisecond reaction with mu XAS. XAS spectra show the progression ofCdSe nanocrystals to Ag2Se over the course of 100 ms without the presenceof long-lived intermediates. These results, along with supporting stoppedflow absorption experiments, suggest that this nanocrystal cationexchange reaction is highly efficient and provide insight into how thereaction progresses in individual particles. This experiment illustratesthe value and potential of in situ microfluidic X-ray synchrotrontechniques for detailed studies of the millisecond structuraltransformations of nanoparticles and other solution-phase reactions inwhich diffusive mixing initiates changes in local bond structures oroxidation states.

  18. A theoretical study on the interstellar synthesis of H{sub 2}NCS{sup +} and HNCSH{sup +} cations

    SciTech Connect (OSTI)

    Gronowski, Marcin; Kołos, Robert E-mail: rkolos@ichf.edu.pl

    2014-09-10

    HNCS and NCSH molecules, recently discovered in the interstellar medium, are likely formed via the dissociative recombination of H{sub 2}NCS{sup +} or HNCSH{sup +} isomeric ions. Interstellar synthesis of the latter is discussed on theoretical grounds. The analysis of relevant potential energy surfaces suggests a key role for chemical processes in which CSH{sup +} or HCS{sup +} cations (most likely formed in CS+H{sub 3}{sup +} collisions) react with NH{sub 2} or NH{sub 3}. The astrochemical kinetic database (kida.uva.2011), appended with 7 sulfur-bearing molecules and 48 corresponding reactions, has been applied to model the evolution of HNCS, NCSH, and their cationic precursors in a quiescent molecular cloud. Based on the model and on spectroscopic predictions, for an object like TMC-1, we expect the total intensity of H{sub 2}NCS{sup +} microwave lines to be comparable to that observed for HSCN. Theoretically derived molecular parameters, of interest for radio spectroscopy, are given for the most stable cations sharing the H{sub 2}NCS{sup +} stoichiometry.

  19. Gas-Phase Reactions of Doubly Charged Lanthanide Cations with Alkanes and Alkenes. Trends in Metal(2+) Reactivity

    SciTech Connect (OSTI)

    Gibson, John K.; Marcalo, Joaquim; Santos, Marta; Pires de Matos, Antonio; Haire, Richard G.

    2008-12-08

    The gas-phase reactivity of doubly-charged lanthanide cations, Ln2+ (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu), with alkanes (methane, ethane, propane, n-butane) and alkenes (ethene, propene, 1-butene) was studied by Fourier transform ion cyclotron resonance mass spectrometry. The reaction products consisted of different combinations of doubly-charged organometallic ions?adducts or species formed via metal-ion-induced hydrogen, dihydrogen, alkyl, or alkane eliminations from the hydrocarbons?and singly-charged ions that resulted from electron, hydride, or methide transfers from the hydrocarbons to the metal ions. The only lanthanide cations capable of activating the hydrocarbons to form doubly-charged organometallic ions were La2+, Ce2+, Gd2+, and Tb2+, which have ground-state or low-lying d1 electronic configurations. Lu2+, with an accessible d1 electronic configuration but a rather high electron affinity, reacted only through transfer channels. The remaining Ln2+ reacted via transfer channels or adduct formation. The different accessibilities of d1 electronic configurations and the range of electron affinities of the Ln2+ cations allowed for a detailed analysis of the trends for metal(2+) reactivity and the conditions for occurrence of bond activation, adduct formation, and electron, hydride, and methide transfers.

  20. Doping against the native propensity of MoS₂: Degenerate hole doping by cation substitution

    SciTech Connect (OSTI)

    Suh, Joonki; Park, Tae-Eon; Lin, Der-Yuh; Fu, Deyi; Park, Joonsuk; Jung, Hee Joon; Chen, Yabin; Ko, Changhyun; Jang, Chaun; Sun, Yinghui; Sinclair, Robert; Chang, Joonyeon; Tongay, Sefaattin; Wu, Junqiao

    2014-12-10

    Layered transition metal dichalcogenides (TMDs) draw much attention as the key semiconducting material for two-dimensional electrical, optoelectronic, and spintronic devices. For most of these applications, both n- and p-type materials are needed to form junctions and support bipolar carrier conduction. However, typically only one type of doping is stable for a particular TMD. For example, molybdenum disulfide (MoS₂) is natively an n-type presumably due to omnipresent electron-donating sulfur vacancies, and stable/controllable p-type doping has not been achieved. The lack of p-type doping hampers the development of charge-splitting p–n junctions of MoS₂, as well as limits carrier conduction to spin-degenerate conduction bands instead of the more interesting, spin-polarized valence bands. Traditionally, extrinsic p-type doping in TMDs has been approached with surface adsorption or intercalation of electron-accepting molecules. However, practically stable doping requires substitution of host atoms with dopants where the doping is secured by covalent bonding. In this work, we demonstrate stable p-type conduction in MoS₂ by substitutional niobium (Nb) doping, leading to a degenerate hole density of ~3 × 10¹⁹ cm⁻³. Structural and X-ray techniques reveal that the Nb atoms are indeed substitutionally incorporated into MoS₂ by replacing the Mo cations in the host lattice. van der Waals p–n homojunctions based on vertically stacked MoS₂ layers are fabricated, which enable gate-tunable current rectification. A wide range of microelectronic, optoelectronic, and spintronic devices can be envisioned from the demonstrated substitutional bipolar doping of MoS₂. From the miscibility of dopants with the host, it is also expected that the synthesis technique demonstrated here can be generally extended to other TMDs for doping against their native unipolar propensity.

  1. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Golden Gate National Recreation Area

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-03-01

    Battelle Energy Alliance, LLC, managing and operating contractor for the U.S. Department of Energy's Idaho National Laboratory, is the lead laboratory for U.S. Department of Energy Advanced Vehicle Testing. Battelle Energy Alliance, LLC contracted with Intertek Testing Services, North America (ITSNA) to collect data on federal fleet operations as part of the Advanced Vehicle Testing Activity's Federal Fleet Vehicle Data Logging and Characterization study. The Advanced Vehicle Testing Activity study seeks to collect data to validate the utilization of advanced electric drive vehicle transportation. This report focuses on the Golden Gate National Recreation Area (GGNRA) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies' fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (PHEV) (collectively PEVs) can fulfill the mission requirements. GGNRA identified 182 vehicles in its fleet, which are under the management of the U.S. General Services Administration. Fleet vehicle mission categories are defined in Section 4, and while the GGNRA vehicles conduct many different missions, only two (i.e., support and law enforcement missions) were selected by agency management to be part of this fleet evaluation. The selected vehicles included sedans, trucks, and sport-utility vehicles. This report will show that battery electric vehicles and/or PHEVs are capable of performing the required missions and providing an alternative vehicle for support vehicles and PHEVs provide the same for law enforcement, because each has a sufficient range for individual trips and time is available each day for charging to accommodate multiple trips per day. These charging events could occur at the vehicle home base, high-use work areas, or intermediately along routes that the vehicles frequently travel. Replacement of vehicles in the current fleet would result in significant reductions in the emission of greenhouse gases and petroleum use, while also reducing fuel costs. The San Francisco Bay Area is a leader in the adoption of PEVs in the United States. PEV charging stations, or more appropriately identified as electric vehicle supply equipment, located on the GGNRA facility would be a benefit for both GGNRA fleets and general public use. Fleet drivers and park visitors operating privately owned PEVs benefit by using the charging infrastructure. ITSNA recommends location analysis of the GGNRA site to identify the optimal placement of the electric vehicle supply equipment station. ITSNA recognizes the support of Idaho National Laboratory and ICF International for their efforts to initiate communication with the National Parks Service and GGNRA for participation in the study. ITSNA is pleased to provide this report and is encouraged by the high interest and support from the National Park Service and GGNRA personnel.

  2. New iodocuprates(I) with N-heterocyclic molecules as the cations

    SciTech Connect (OSTI)

    Zhao, Jin-Jing; Zhang, Xiao; Wang, Yan-Ning; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing

    2013-11-15

    Under the hydrothermal conditions, the reactions between CuI, KI and bp/bpp (bp=4,4?-bipiperidine, bpp=1,3-bis(4-piperidyl)propane) in an acidic alcohol solution produced three new organically templated iodocuprates(I) as [H{sub 2}bp]{sub 2}[Cu{sub 2}I{sub 6}] 1, [tmbp][Cu{sub 2}I{sub 4}] 2 and [tmbpp] 2 [Cu{sub 4}I{sub 8}]2H{sub 2}O 3 (tmbp{sup 2+}=N,N,N?,N?-tetramethyl-4,4?-bipiperidinium; tmbpp{sup 2+}=N,N,N?,N?-tetramethyl-1,3-bis(4-piperidyl)propane dication). X-ray analysis revealed that (i) tmbp{sup 2+} and tmbpp{sup 2+} in compounds 2 and 3 originated from the complete N-alklation of bp/bpp with CH{sub 3}OH; (ii) templated by H{sub 2}bp{sup 2+}, the inorganic anion [Cu{sub 2}I{sub 6}]{sup 2?} of 1 possesses a dinuclear structure, whereas templated by tmbp{sup 2+}, the inorganic anion [Cu{sub 2}I{sub 4}]{sup 2?} of 2 exhibits a one-dimensional (1D) chain structure; (iii) templated by tmbpp{sup 2+}, the inorganic anion [Cu{sub 4}I{sub 8}]{sup 4?} of 3 shows a cubane-like structure modified by four terminal I{sup ?} ions. The photoluminescence analysis indicates that compounds 1 and 2 emit blue light, while compound 3 emits green light. - Graphical abstract: By employing hydrothermal in situ N-alkylation of bp/bpp with CH{sub 3}OH, three new organically templated iodocuprates(I) were obtained. Display Omitted - Highlights: Three new organically templated iodocuprates(I) were reported. Cations tmbp{sup 2+} and tmbpp{sup 2+} originated from in situ alkylation of bp/bpp with CH{sub 3}OH. H{sup +} and I{sup ?} play a key role in alkylation of bp/bpp with CH{sub 3}OH. Photoluminescence emission for iodocuprates(I) is related to CuCu interaction.

  3. Carbon-carbon bond formation in cationic aryl-olefin-platinum (II) complexes

    SciTech Connect (OSTI)

    De Felice, V.; Renzi, A.D.; Tesauro, D.; Vitagliano, A.

    1992-11-01

    Cationic five-coordinate [Pt(3-R{sup 1}-4-R{sup 2}-C{sub 6}H{sub 3})(MeCN) (6-Me-py-2-CH=NPh)(C{sub 2}H{sub 4})]{sup +} complexes (R{sup 1}, R{sup 2} = H, Me, OMe) undergo an unexpected rearrangement at 0{degrees}C in chloroform solution, affording, after treatment with aqueous LiCl, the neutral four-coordinate species [Pt(2-Et-4-R{sup 1}-5-R{sup 2}-C{sub 6}H{sub 2})Cl(6-Me-py-1-CH=NPh)]. Pt-C{sub aryl} bond breaking and making is involved in the whole process, resulting in a 1,2-shift of the platinum atom to an adjacent position of the benzene ring. The same compound is obtained, together with products deriving from a typical insertion, when an equimolar amount of ethylene is added to a chloroform solution of [Pt(3-R{sub 1}-4-R{sup 2}-C{sub 6}H{sub 3})(MeCN)(6-Me-py-2-CH=NPh)]{sup +} at 0{degrees}C. When higher ethylene/Pt ratios are used, only five-coordinate [Pt(3-R{sup 1}-4-R{sup 2}-C{sub 6}H{sub 3}CH{sub 2}CH{sub 2})Cl(6-Me-py-2-CH{double_bond}NPh)(C{sub 2}H{sub 4})] complex is isolated. As the experimental data rule out the possibility of a (2-arylethyl)platinum to (2-ethylaryl)platinum rearrangement, different reaction paths are suggested for the two processes. When the two reactions are combined in a {open_quotes}one-pot{close_quotes} sequence, a regiocontrolled double alkylation of the aryl system can be obtained. The behavior substrates containing bidenate nitrogen ligands having different five-coordination stabilizing effects is examined, and data concerning the reactions of propene and styrene are reported. 13 refs., 3 tabs.

  4. Cationic Gold Clusters Ligated with Differently Substituted Phosphines: Effect of Substitution on Ligand Reactivity and Binding

    SciTech Connect (OSTI)

    Johnson, Grant E.; Olivares, Astrid M.; Hill, David E.; Laskin, Julia

    2015-01-01

    We present a systematic study of the effect of the number of methyl (Me) and cyclohexyl (Cy) functional groups in monodentate phosphine ligands on the solution-phase synthesis of ligated sub-nanometer gold clusters and their gas-phase fragmentation pathways. Small mixed ligand cationic gold clusters were synthesized using ligand exchange reactions between pre-formed triphenylphosphine ligated (PPh3) gold clusters and monodentate Me- and Cy-substituted ligands in solution and characterized using electrospray ionization mass spectrometry (ESI-MS) and collision-induced dissociation (CID) experiments. Under the same experimental conditions, larger gold-PPh3 clusters undergo efficient exchange of unsubstituted PPh3 ligands for singly Me- and Cy-substituted PPh2Me and PPh2Cy ligands. The efficiency of ligand exchange decreases with an increasing number of Me or Cy groups in the substituted phosphine ligands. CID experiments performed for a series of ligand-exchanged gold clusters indicate that loss of a neutral Me-substituted ligand is preferred over loss of a neutral PPh3 ligand while the opposite trend is observed for Cy-substituted ligands. The branching ratio of the competing ligand loss channels is strongly correlated with the electron donating ability of the phosphorous lone pair as determined by the relative proton affinity of the ligand. The results indicate that the relative ligand binding energies increase in the order PMe3 < PPhMe2 < PPh2Me < PPh3< PPh2Cy < PPhCy2< PCy3. Furthermore, the difference in relative ligand binding energies increases with the number of substituted PPh3-mMem or PPh3-mCym ligands (L) exchanged onto each cluster. This study provides the first experimental determination of the relative binding energies of ligated gold clusters containing differently substituted monophosphine ligands, which are important to controlling their synthesis and reactivity in solution. The results also indicate that ligand substitution is an important parameter that must be considered in theoretical modeling of these complex systems

  5. AMENDMENT OF SOLlClTATlONlMODlFlCATION OF CONTRACT 1 I . CONTR"CT ID CODE

    National Nuclear Security Administration (NNSA)

    SOLlClTATlONlMODlFlCATION OF CONTRACT 1 I . CONTR"CT ID CODE BWXT Pantex, LLC Route 726, Mt. Athos Road Lynchburg, VA 24506 PAGE 1 OF 2 PAGES Albuquerque, NM 8718Ii4400 I Amarillo, TX 79120 9B. DATED (SEE m M 11) 10A. MODIFICATION OF CONTRACTIORDER NO. 8. NAME AND ADDRESS OF CONTRACTOR (No., street, county, &ate, ZIP Code) I ( DE-ACOCOOAL66620 10B. DATED (SEE / E M 13) 2. AMENDMENT/MODIFICATION NO. M097 9A. AMENDMENT OF SOLICITATION NO. Offera must a d t n d e d p rsceipt of this m e n

  6. IMPROVED V I log(gf) VALUES AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect (OSTI)

    Lawler, J. E.; Wood, M. P.; Den Hartog, E. A.; Feigenson, T.; Sneden, C.; Cowan, J. J. E-mail: mpwood@wisc.edu E-mail: tfeigenson@wisc.edu E-mail: cowan@nhn.ou.edu

    2015-01-01

    New emission branching fraction measurements for 836 lines of the first spectrum of vanadium (V I) are determined from hollow cathode lamp spectra recorded with the National Solar Observatory 1 m Fourier transform spectrometer (FTS) and a high-resolution echelle spectrometer. The branching fractions are combined with recently published radiative lifetimes from laser-induced fluorescence measurements to determine accurate absolute atomic transition probabilities for the 836 lines. The FTS data are also used to extract new hyperfine structure A coefficients for 26 levels of neutral vanadium. These new laboratory data are applied to determine the V abundance in the Sun and metal-poor star HD 84937, yielding log ?(V) = 3.956 0.004 (? = 0.037) based on 93V I lines and log ?(V) = 1.89 0.03 (? = 0.07) based on nine V I lines, respectively, using the Holweger-Mller 1D model. These new V I abundance values for the Sun and HD 84937 agree well with our earlier determinations based upon V II.

  7. Highly Active Electrolytes for Rechargeable Mg Batteries Based on [Mg2(?-Cl)2]2+ Cation Complex in Dimethoxyethane

    SciTech Connect (OSTI)

    Cheng, Yingwen; Stolley, Ryan M.; Han, Kee Sung; Shao, Yuyan; Arey, Bruce W.; Washton, Nancy M.; Mueller, Karl T.; Helm, Monte L.; Sprenkle, Vincent L.; Liu, Jun; Li, Guosheng

    2015-01-01

    Highly active electrolytes based on a novel [Mg2(?-Cl)2]2+ cation complex for reversible Mg deposition were developed and analyzed in this work. These electrolytes were formulated in dimethoxyethane through dehalodimerization of non-nucleophilic MgCl2 by reacting with either Mg salts (such as Mg(TFSI)2, TFSI= bis(trifluoromethane)sulfonylimide) or Lewis acid salts (such as AlEtCl2 or AlCl3). The cation complex was identified for the first time as [Mg2(?-Cl)2(DME)4]2+ (DME=dimethoxyethane) and its molecular structure was characterized by single crystal X-ray diffraction, Raman spectroscopy and NMR. The electrolyte synthesis process was studied and rational approaches for formulating highly active electrolytes were proposed. Through control of the anions, electrolytes with efficiency close to 100%, wide electrochemical window (up to 3.5V) and high ionic conductivity (> 6 mS/cm) were obtained. The electrolyte synthesis and understandings developed in this work could bring significant opportunities for rational formulation of electrolytes with the general formula [Mg2(?-Cl)2(DME)4][anion]x for practical Mg batteries.

  8. Alkali metal cation complexation by 1,3-alternate, mono-ionisable calix[4]arene-benzocrown-6 compounds

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

    Surowiec, Malgorzata A.; Custelcean, Radu; Surowiec, Kazimierz; Bartsch, Richard A.

    2014-04-23

    Alkali metal cation extraction behavior for two series of 1,3-alternate, mono-ionizable calix[4]arene-benzocrown-6 compounds is examined. In Series 1, the proton-ionizable group is a substituent on the benzo group of the polyether ring that directs it away from the crown ether cavity. In Series 2, the proton-ionizable group is attached to one para position in the calixarene framework, thus positioning it over the crown ether ring. Competitive solvent extraction of alkali metal cations from aqueous solutions into chloroform shows high Cs+ efficiency and selectivity. Single-species extraction pH profiles of Cs+ for Series 1 and 2 ligands with the same proton-ionizable groupmore » are very similar. Thus, association of Cs+ with the calixcrown ring is more important than the the proton-ionizable group’s position in relation to the crown ether cavity. Solid-state structures are presented for two unionized ligands from Series 2, as is a crystal containing two different ionized ligand–Cs+ complexes.« less

  9. METALLICITIES, DUST, AND MOLECULAR CONTENT OF A QSO-DAMPED Ly{alpha} SYSTEM REACHING log N(H I) = 22: AN ANALOG TO GRB-DLAs

    SciTech Connect (OSTI)

    Guimaraes, R.; Noterdaeme, P.; Petitjean, P.; Ledoux, C.; Srianand, R.; Rahmani, H.; Lopez, S.

    2012-06-15

    We present the elemental abundance and H{sub 2} content measurements of a damped Ly{alpha} (DLA) system with an extremely large H I column density, log N(H I) (cm{sup -2}) = 22.0 {+-} 0.10, at z{sub abs} = 3.287 toward the QSO SDSS J081634+144612. We measure column densities of H{sub 2}, C I, C I*, Zn II, Fe II, Cr II, Ni II, and Si II from a high signal-to-noise and high spectral resolution VLT-UVES spectrum. The overall metallicity of the system is [Zn/H] = -1.10 {+-} 0.10 relative to solar. Two molecular hydrogen absorption components are seen at z = 3.28667 and 3.28742 (a velocity separation of Almost-Equal-To 52 km s{sup -1}) in rotational levels up to J = 3. We derive a total H{sub 2} column density of log N(H{sub 2}) (cm{sup -2}) = 18.66 and a mean molecular fraction of f = 2N(H{sub 2})/[2N(H{sub 2}) + N(H I)] = 10{sup -3.04{+-}0.37}, typical of known H{sub 2}-bearing DLA systems. From the observed abundance ratios we conclude that dust is present in the interstellar medium of this galaxy, with an enhanced abundance in the H{sub 2}-bearing clouds. However, the total amount of dust along the line of sight is not large and does not produce any significant reddening of the background QSO. The physical conditions in the H{sub 2}-bearing clouds are constrained directly from the column densities of H{sub 2} in different rotational levels, C I and C I*. The kinetic temperature is found to be T Almost-Equal-To 75 K and the particle density lies in the range n{sub H} = 50-80 cm{sup -3}. The neutral hydrogen column density of this DLA is similar to the mean H I column density of DLAs observed at the redshift of {gamma}-ray bursts (GRBs). We explore the relationship between GRB-DLAs and the high column density end of QSO-DLAs finding that the properties (metallicity and depletion) of DLAs with log N(H I) > 21.5 in the two populations do not appear to be significantly different.

  10. AMENDMENT OF SOLIr ATI ON/MODIFI CATION OF CONTRACT 1. CONTRACT ID CODE PAGE OF PAGES

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

    SOLIr ATI ON/MODIFI CATION OF CONTRACT 1. CONTRACT ID CODE PAGE OF PAGES 2 AMENDMENT/lIVDDIFICATiON NC 3. EFFECTIVE DATE [4 REDUISITION/PURCHASE REC NO IE PR3JECT NC (if applicable) 09 ISoe Bloo , 16- - ISee Soheoule S ISSUED D> CODE 7 ~ ADMINISTERED BY (if otnertrian ItemS CO DE Of fice of Ri-.er PoDLecOLODn office of Riv'er P-oCQ-ec-.iQ .S. Cet:F O<men of E-nerov,, I.S. Deparo:merio c-' Enrgv P.O. Box 4'5C 0 ... Box 45C .io ao 1 31 W YS: (-876 B. NAME AND ADDRESS CF CONTRACTOR (No seve

  11. Crystal Structure of an Integron Gene Cassette-Associated Protein from Vibrio cholerae Identifies a Cationic Drug-Binding Module

    SciTech Connect (OSTI)

    Deshpande, Chandrika N.; Harrop, Stephen J.; Boucher, Yan; Hassan, Karl A.; Di Leo, Rosa; Xu, Xiaohui; Cui, Hong; Savchenko, Alexei; Chang, Changsoo; Labbate, Maurizio; Paulsen, Ian T.; Stokes, H.W.; Curmi, Paul M.G.; Mabbutt, Bridget C.

    2012-02-15

    The direct isolation of integron gene cassettes from cultivated and environmental microbial sources allows an assessment of the impact of the integron/gene cassette system on the emergence of new phenotypes, such as drug resistance or virulence. A structural approach is being exploited to investigate the modularity and function of novel integron gene cassettes. We report the 1.8 {angstrom} crystal structure of Cass2, an integron-associated protein derived from an environmental V. cholerae. The structure defines a monomeric beta-barrel protein with a fold related to the effector-binding portion of AraC/XylS transcription activators. The closest homologs of Cass2 are multi-drug binding proteins, such as BmrR. Consistent with this, a binding pocket made up of hydrophobic residues and a single glutamate side chain is evident in Cass2, occupied in the crystal form by polyethylene glycol. Fluorescence assays demonstrate that Cass2 is capable of binding cationic drug compounds with submicromolar affinity. The Cass2 module possesses a protein interaction surface proximal to its drug-binding cavity with features homologous to those seen in multi-domain transcriptional regulators. Genetic analysis identifies Cass2 to be representative of a larger family of independent effector-binding proteins associated with lateral gene transfer within Vibrio and closely-related species. We propose that the Cass2 family not only has capacity to form functional transcription regulator complexes, but represents possible evolutionary precursors to multi-domain regulators associated with cationic drug compounds.

  12. Cation Intermixing And Electronic Deviations At The Insulating LaCrO3/SrTiO3(001) Interface

    SciTech Connect (OSTI)

    Colby, Robert J.; Qiao, Liang; Zhang, Hongliang; Shutthanandan, V.; Ciston, Jim; Kabius, Bernd C.; Chambers, Scott A.

    2013-10-29

    The interface between polar perovskite LaCrO3 (LCO) and non-polar SrTiO3(001) (STO), grown by molecular beam epitaxy, is examined using a combination of electron microscopy, spectroscopy, and Rutherford backscattering spectrometry. The LCO/STO(001) interface is insulating, a potential counter example for the claim that polar/nonpolar perovskite interfaces should be conductive by virtue of an electronic reconstruction to alleviate the polar discontinuity. The A-site cations of these ABO3 perovskites are found to diffuse across the interface to a greater extent than the B-site cations, based on high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy dispersive x-ray spectroscopy (EDS) and electron energy loss spectroscopy (EELS). The B-site cation valences are shown to be partially reduced near the interface by analysis of EELS near-edge structures. The location and direction of these electronic modifications do not intuitively compensate the charge imbalance imposed by uneven cation inter-diffusion, and yet both the film and interface are insulating. These results highlight the importance of both the physical and electronic structure of such complex interfaces in determining their characteristics. Furthermore, the extent of inter-diffusion is shown to increase with increasing LCO film thickness, suggesting a potential mechanism behind the critical thickness for interfacial conductivity in other polar/non-polar oxide systems, and a fundamental limitation on the formation of abrupt interfaces in LCO/STO(001).

  13. Coverage Dependent Charge Reduction of Cationic Gold Clusters on Surfaces Prepared Using Soft Landing of Mass-selected Ions

    SciTech Connect (OSTI)

    Johnson, Grant E.; Priest, Thomas A.; Laskin, Julia

    2012-11-29

    The ionic charge state of monodisperse cationic gold clusters on surfaces may be controlled by selecting the coverage of mass-selected ions soft landed onto a substrate. Polydisperse diphosphine-capped gold clusters were synthesized in solution by reduction of chloro(triphenylphosphine)gold(I) with borane tert-butylamine in the presence of 1,3-bis(diphenylphosphino)propane. The polydisperse gold clusters were introduced into the gas phase by electrospray ionization and mass selection was employed to select a multiply charged cationic cluster species (Au11L53+, m/z = 1409, L = 1,3-bis(diphenylphosphino)propane) which was delivered to the surfaces of four different self-assembled monolayers on gold (SAMs) at coverages of 1011 and 1012 clusters/mm2. Employing the spatial profiling capabilities of in-situ time-of-flight secondary ion mass spectrometry (TOF-SIMS) it is shown that, in addition to the chemical functionality of the monolayer (as demonstrated previously: ACS Nano, 2012, 6, 573) the coverage of cationic gold clusters on the surface may be used to control the distribution of ionic charge states of the soft-landed multiply charged clusters. In the case of a 1H,1H,2H,2H-perfluorodecanethiol SAM (FSAM) almost complete retention of charge by the deposited Au11L53+ clusters was observed at a lower coverage of 1011 clusters/mm2. In contrast, at a higher coverage of 1012 clusters/mm2, pronounced reduction of charge to Au11L52+ and Au11L5+ was observed on the FSAM. When soft landed onto 16- and 11-mercaptohexadecanoic acid surfaces on gold (16,11-COOH-SAMs), the mass-selected Au11L53+ clusters exhibited partial reduction of charge to Au11L52+ at lower coverage and additional reduction of charge to both Au11L52+ and Au11L5+ at higher coverage. The reduction of charge was found to be more pronounced on the surface of the shorter (thinner) C11 than the longer (thicker) C16-COOH-SAM. On the surface of the 1-dodecanethiol (HSAM) monolayer, the most abundant charge state was found to be Au11L52+ at lower coverage and Au11L5+ at higher coverage, respectively. A coverage-dependent electron tunneling mechanism is proposed to account for the observed reduction of charge of mass-selected multiply charged gold clusters soft landed on SAMs. The results demonstrate that one of the critical parameters that influence the chemical and physical properties of supported metal clusters, ionic charge state, may be controlled by selecting the coverage of charged species soft landed onto surfaces.

  14. Geothermal Well Logging: Geological Wireline Logs and Fracture...

    Open Energy Info (EERE)

    Course on Geothermal Drilling, Resource Development and Power Plants; Santa Tecla, El Salvador; 20110116 Published Iceland GeoSurvey, 2011 DOI Not Provided Check for DOI...

  15. Interpretation of Flow Logs from Nevada Test Site Boreholes to Estimate Hydraulic conductivity Using Numerical Simulations Constrained by Single-Well Aquifer Tests

    SciTech Connect (OSTI)

    Garcia, C. Amanda; Halford, Keith J.; Laczniak, Randell J.

    2010-02-12

    Hydraulic conductivities of volcanic and carbonate lithologic units at the Nevada Test Site were estimated from flow logs and aquifer-test data. Borehole flow and drawdown were integrated and interpreted using a radial, axisymmetric flow model, AnalyzeHOLE. This integrated approach is used because complex well completions and heterogeneous aquifers and confining units produce vertical flow in the annular space and aquifers adjacent to the wellbore. AnalyzeHOLE simulates vertical flow, in addition to horizontal flow, which accounts for converging flow toward screen ends and diverging flow toward transmissive intervals. Simulated aquifers and confining units uniformly are subdivided by depth into intervals in which the hydraulic conductivity is estimated with the Parameter ESTimation (PEST) software. Between 50 and 150 hydraulic-conductivity parameters were estimated by minimizing weighted differences between simulated and measured flow and drawdown. Transmissivity estimates from single-well or multiple-well aquifer tests were used to constrain estimates of hydraulic conductivity. The distribution of hydraulic conductivity within each lithology had a minimum variance because estimates were constrained with Tikhonov regularization. AnalyzeHOLE simulated hydraulic-conductivity estimates for lithologic units across screened and cased intervals are as much as 100 times less than those estimated using proportional flow-log analyses applied across screened intervals only. Smaller estimates of hydraulic conductivity for individual lithologic units are simulated because sections of the unit behind cased intervals of the wellbore are not assumed to be impermeable, and therefore, can contribute flow to the wellbore. Simulated hydraulic-conductivity estimates vary by more than three orders of magnitude across a lithologic unit, indicating a high degree of heterogeneity in volcanic and carbonate-rock units. The higher water transmitting potential of carbonate-rock units relative to volcanic-rock units is exemplified by the large difference in their estimated maximum hydraulic conductivity; 4,000 and 400 feet per day, respectively. Simulated minimum estimates of hydraulic conductivity are inexact and represent the lower detection limit of the method. Minimum thicknesses of lithologic intervals also were defined for comparing AnalyzeHOLE results to hydraulic properties in regional ground-water flow models.

  16. Image Logs | Open Energy Information

    Open Energy Info (EERE)

    StratigraphicStructural: -Fault and fracture identification -Rock texture, porosity, and stress analysis -determine dip, thickness, and geometry of rock strata in vicinity of...

  17. Gamma Log | Open Energy Information

    Open Energy Info (EERE)

    in mining, mineral exploration, water-well drilling, for formation evaluation in oil and gas well drilling and for other related purposes. Different types of rock emit different...

  18. FOIA_Log_2011.pdf

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

  19. Log in | The Ames Laboratory

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

    Primary

  20. Request Log Closedl Date Yes

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

    documents related to a survey, conducted by the Oak Ridge Institute for Science and Education in 1997. or certain building areas at the Engelhard1D.E. Uakepeace facility in...

  1. Trip Information Log Tracking System

    Energy Science and Technology Software Center (OSTI)

    1992-06-23

    The system is focused on the Employee Business Travel Event. The system must be able to CRUD (Create, Retrieve, Update, Delete) instances of the Travel Event as well as the ability to CRUD frequent flyer milage associated with airline travel. Additionally the system must provide for a compliance reporting system to monitor reductions in travel costs and lost opportunity costs (i.e., not taking advantage of business class or 7 day advance tickets).

  2. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the United States Forest Service: Caribou-Targhee National Forest

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort; Ian Nienhueser

    2014-06-01

    Battelle Energy Alliance, LLC, managing and operating contractor for the U.S. Department of Energys Idaho National Laboratory, is the lead laboratory for U.S. Department of Energy Advanced Vehicle Testing. Battelle Energy Alliance, LLC contracted with Intertek Testing Services, North America (ITSNA) to collect and evaluate data on federal fleet operations as part of the Advanced Vehicle Testing Activitys Federal Fleet Vehicle Data Logging and Characterization study. The Advanced Vehicle Testing Activity study seeks to collect and evaluate data to validate the utilization of advanced electric drive vehicle transportation. This report focuses on the Caribou-Targhee National Forest (CTNF) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles, or PEVs) can fulfill the mission requirements. ITSNA acknowledges the support of Idaho National Laboratory and CTNF for participation in the study. ITSNA is pleased to provide this report and is encouraged by enthusiasm and support from the Forest Service and CTNF personnel.

  3. IMPROVED V II log(gf) VALUES, HYPERFINE STRUCTURE CONSTANTS, AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect (OSTI)

    Wood, M. P.; Lawler, J. E.; Den Hartog, E. A.; Sneden, C.; Cowan, J. J. E-mail: jelawler@wisc.edu E-mail: chris@verdi.as.utexas.edu

    2014-10-01

    New experimental absolute atomic transition probabilities are reported for 203 lines of V II. Branching fractions are measured from spectra recorded using a Fourier transform spectrometer and an echelle spectrometer. The branching fractions are normalized with radiative lifetime measurements to determine the new transition probabilities. Generally good agreement is found between this work and previously reported V II transition probabilities. Two spectrometers, independent radiometric calibration methods, and independent data analysis routines enable a reduction in systematic uncertainties, in particular those due to optical depth errors. In addition, new hyperfine structure constants are measured for selected levels by least squares fitting line profiles in the FTS spectra. The new V II data are applied to high resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to determine new, more accurate V abundances. Lines covering a range of wavelength and excitation potential are used to search for non-LTE effects. Very good agreement is found between our new solar photospheric V abundance, log ?(V) = 3.95 from 15 V II lines, and the solar-system meteoritic value. In HD 84937, we derive [V/H] = 2.08 from 68 lines, leading to a value of [V/Fe] = 0.24.

  4. Swelling properties of montmorillonite and beidellite clay minerals from molecular simulation: Comparison of temperature interlayer cation, and charge location effects

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

    Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.; Jove-Colon, Carlos F.; Cygan, Randall Timothy

    2015-08-27

    In this study, the swelling properties of smectite clay minerals are relevant to many engineering applications including environmental remediation, repository design for nuclear waste disposal, borehole stability in drilling operations, and additives for numerous industrial processes and commercial products. We used molecular dynamics and grand canonical Monte Carlo simulations to study the effects of layer charge location, interlayer cation, and temperature on intracrystalline swelling of montmorillonite and beidellite clay minerals. For a beidellite model with layer charge exclusively in the tetrahedral sheet, strong ion–surface interactions shift the onset of the two-layer hydrate to higher water contents. In contrast, for amore » montmorillonite model with layer charge exclusively in the octahedral sheet, weaker ion–surface interactions result in the formation of fully hydrated ions (two-layer hydrate) at much lower water contents. Clay hydration enthalpies and interlayer atomic density profiles are consistent with the swelling results. Water adsorption isotherms from grand canonical Monte Carlo simulations are used to relate interlayer hydration states to relative humidity, in good agreement with experimental findings.« less

  5. Swelling properties of montmorillonite and beidellite clay minerals from molecular simulation: Comparison of temperature interlayer cation, and charge location effects

    SciTech Connect (OSTI)

    Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.; Jove-Colon, Carlos F.; Cygan, Randall Timothy

    2015-08-27

    In this study, the swelling properties of smectite clay minerals are relevant to many engineering applications including environmental remediation, repository design for nuclear waste disposal, borehole stability in drilling operations, and additives for numerous industrial processes and commercial products. We used molecular dynamics and grand canonical Monte Carlo simulations to study the effects of layer charge location, interlayer cation, and temperature on intracrystalline swelling of montmorillonite and beidellite clay minerals. For a beidellite model with layer charge exclusively in the tetrahedral sheet, strong ion–surface interactions shift the onset of the two-layer hydrate to higher water contents. In contrast, for a montmorillonite model with layer charge exclusively in the octahedral sheet, weaker ion–surface interactions result in the formation of fully hydrated ions (two-layer hydrate) at much lower water contents. Clay hydration enthalpies and interlayer atomic density profiles are consistent with the swelling results. Water adsorption isotherms from grand canonical Monte Carlo simulations are used to relate interlayer hydration states to relative humidity, in good agreement with experimental findings.

  6. Combined Utilization of Cation Exchanger and Neutral Receptor to Volume Reduction of Alkaline Tank Waste by Separation of Sodium Salts

    SciTech Connect (OSTI)

    Levitskaia, Tatiana G.; Lumetta, Gregg J.; Moyer, Bruce A.

    2004-03-29

    In this report, novel approaches to the selective liquid-liquid extraction separation of sodium hydroxide and sodium nitrate from high-level alkaline tank waste will be discussed. Sodium hydroxide can be successfully separated from alkaline tank-waste supernatants by weakly acidic lipophilic hydroxy compounds via a cation-exchange mechanism referred to as pseudo hydroxide extraction. In a multi-cycle process, as sodium hydroxide in the aqueous phase becomes depleted, it is helpful to have a neutral sodium receptor in the extraction system to exploit the high nitrate concentration in the waste solution to promote sodium removal by an ion-pair extraction process. Simultaneous utilization of an ionizable organic hydroxy compound and a neutral extractant (crown ether) in an organic phase results in the synergistic enhancement of ion exchange and improved separation selectivity due to the receptor's strong and selective sodium binding. Moreover, combination of the hydroxy compound and the crown ether provides for mutually increased solubility, even in a non-polar organic solvent. Accordingly, application of Isopar{reg_sign} L, a kerosene-like alkane solvent, becomes feasible. This investigation involves examination of such dual-mechanism extraction phases for sodium extraction from simulated and actual salt cake waste solutions. Sodium salts can be regenerated upon the contact of the loaded extraction phases with water. Finally, conditions of potential extraction/strip cycling will be discussed.

  7. Warm white light emitting ThO{sub 2}:Sm{sup 3+} nanorods: Cationic surfactant assisted reverse micellar synthesis and Photoluminescence properties

    SciTech Connect (OSTI)

    Gupta, Santosh K.; Gupta, Ruma; Natarajan, V.; Godbole, S.V.

    2014-01-01

    Graphical abstract: - Highlights: ThO{sub 2}:Sm{sup 3+} nanoparticles have been synthesized using cationic surfactant assisted reverse micellar route. HRTEM shows the formation of thoria nanorods. Photoluminescence investigation shows host as well as samarium ion emission. Time resolved fluorescence spectroscopy shows the presence of two types of samarium ion in thoria host. - Abstract: Sm{sup 3+} activated thorium oxide nanorods were synthesized by cationic surfactant assisted reverse micellar route. Phase purity, morphological and luminescent properties were investigated by X-ray diffraction, high resolution transmission electron microscopy and photoluminescence spectroscopy. Upon UV light excitation (245 nm), ThO{sub 2}:Sm{sup 3+} exhibited host emission at 447 nm, along with characteristic emission lines of Sm{sup 3+} at 569, 609, 662 and 716 nm. Lifetime spectroscopy shows the presence of two types of Sm{sup 3+} (? = 1.1 ms and 4.9 ms) with different asymmetric ratios.

  8. An ab initio study of the electronic structure of the boron oxide neutral (BO), cationic (BO{sup +}), and anionic (BO{sup ?}) species

    SciTech Connect (OSTI)

    Magoulas, Ilias; Kalemos, Apostolos

    2014-09-28

    The BO neutral, cationic, and anionic molecular species have been painstakingly studied through multireference configuration interaction and single reference coupled cluster methods employing basis sets of quintuple cardinality. Potential energy curves have been constructed for 38 (BO), 37 (BO{sup +}), and 12 (BO{sup ?}) states and the usual molecular parameters have been extracted most of which are in very good agreement with the scarce experimental data. Numerous avoided crossings appear on more or less all of the studied states of the neutral and cationic species challenging the validity of the Born Oppenheimer approximation. Finally, all excited states of the anionic system lie above the ground state of the neutral BO system and are therefore resonances.

  9. A comparative study of optical absorption and photocatalytic properties of nanocrystalline single-phase anatase and rutile TiO{sub 2} doped with transition metal cations

    SciTech Connect (OSTI)

    Kernazhitsky, L.; Shymanovska, V.; Gavrilko, T.; Naumov, V.; Kshnyakin, V.; Khalyavka, T.

    2013-02-15

    The effect of nanocrystalline TiO{sub 2} doping with transition metal cations (Cu{sup 2+}, Fe{sup 3+}, Co{sup 2+}, Cr{sup 3+}) on their optical absorption and photocatalytic properties was investigated. The obtained metal-doped TiO{sub 2} samples were characterized by X-ray diffraction, scanning electron microscopy, and UV-vis absorption spectroscopy. It is shown that doping effect on anatase (A) and rutile (R) properties is quite different, being much stronger and complicated on A than on R. Contrary to doped R, doped A revealed a significant red shift of the absorption edge along with the band gap narrowing. Photocatalytic activity of anatase increases upon doping in the order: AR/Co>R/Cu>R/Fe>R/Cr, indicating the inhibitory effect of impurity cations. This fact correlates with the decrease in the UV absorption of the doped rutile in the region of the Hg-lamp irradiation at 4.88 eV. - Graphical abstract: A red shift of the absorption edge of nanocrystalline single-phase anatase after doping with transition metal cations. Highlights: Black-Right-Pointing-Pointer Single-phase anatase and rutile powders surface-doped with transition metal cations. Black-Right-Pointing-Pointer Absorption edge and band gap of rutile do not change with surface doping. Black-Right-Pointing-Pointer Band gap of surface-doped anatase reduces being the lowest for A/Fe. Black-Right-Pointing-Pointer The surface-doping improves photocatalytic activity of anatase. Black-Right-Pointing-Pointer The surface-doping inhibits photocatalytic activity of rutile.

  10. Influence of cationic substitutions on the first charge and reversible capacities of lithium-rich layered oxide cathodes

    SciTech Connect (OSTI)

    Wang, Chih-Chieh; Manthiram, Arumugam

    2013-06-24

    The reversible capacity values of lithium-rich layered oxide cathodes depend on the length (capacity) of the plateau region during the first charge. With an aim to understand the factors that control the length of the plateau region and thereby enhance the reversible capacity, the effects of various cationic substitutions in Li1.2Mn0.6Ni0.2O2 have been investigated systematically. Specifically, substitutions of (i) M3+ = Al3+, Cr3+, Fe3+, Co3+, and Ga3+ for equal amounts of Mn4+and Ni2+ in Li1.2Mn0.6-0.5xNi0.2-0.5xMxO2 with x = 0.06, 0.13, and 0.2, (ii) Ti4+ for Mn4+ in Li1.2Mn0.6-xTixNi0.2O2 with x = 0.025, 0.05, and 0.1, and (iii) Mg2+ for Ni2+ in Li1.2Mn0.6Ni0.2-xMgxO2 with x = 0.025, 0.05, and 0.1 have been investigated. The cationic substitutions affect the first charge capacity values both in the sloping region corresponding to the oxidation of the transition-metal ions to the 4+ state and in the plateau region corresponding to the oxidation of O2- ions to O2 and/or transition-metal ions beyond 4+, which control the reversible capacity values in subsequent cycles. While the changes in the sloping-region capacity could be readily understood by considering the redox activities of the transition-metal ions, the plateau-region capacity is found to depend sensitively on the metaloxygen covalence, which is dictated by the relative positions of the metal:3d band with respect to the top of the O2-:2p band, and electron delocalization. For instance, an overlap of the Co3+/4+:t2g band with the top of the O2-:2p band along with a partially filled t 2g band across the shared octahedral edges makes the oxygen loss from the lattice and/or oxidation beyond 4+ much more facile.

  11. 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.

  12. Selectivity Control in Synergistic Liquid-Liquid Anion Exchange of Univalent Anions via Structure-Specific Cooperativity between Quaternary Ammonium Cations and Anion Receptors

    SciTech Connect (OSTI)

    Borman, Christopher J; Bonnesen, Peter V; Moyer, Bruce A

    2012-01-01

    Two anion receptors enhance liquid-liquid anion exchange when added to quaternary alkylammonium chloride anion exchangers, but with a striking dependence upon the structure of the alkylammonium cation. Two anion receptors were investigated, meso-octamethylcalix[4]pyrrole (C4P) and the bisthiourea tweezer 1,1'-(propane-1,3-diyl)bis(3-(4-sec-butylphenyl)thiourea (BTU). C4P has the unique ability in its cone anion-binding conformation to accept an appropriately sized electropositive species in the resulting cup formed by its four electron-rich pyrrole groups, while BTU is not expected to be predisposed for a specific host-guest interaction with the quaternary ammonium cations. It was therefore hypothesized that synergism between C4P and methyltri(C8,10)alkylammonium chloride (Aliquat 336) would be uniquely pronounced owing to insertion of the methyl group of the Aliquat cation into the C4P cup, and we present herein data supporting this expectation. While synergism is comparatively weak for both exchangers with the BTU receptor, synergism between C4P and Aliquat 336 is indeed so strong that anion exchange prefers chloride over more extractable nitrate and trifluoroacetate, effectively overcoming the ubiquitous Hofmeister bias. A thermochemical analysis of synergistic anion exchange has been provided for the first time, unraveling the observed selectivity behavior and resulting in the estimation of binding constants for C4P with the ion pairs of A336+ with Cl , Br , OAcF3 , NO3 , and I . The uniquely strong positive cooperativity between A336 and C4P underscores the advantage of a supramolecular approach in the design of synergistic anion exchange systems.

  13. Electronic structure of cation-codoped TiO{sub 2} for visible-light photocatalyst applications from hybrid density functional theory calculations

    SciTech Connect (OSTI)

    Long, Run; English, Niall J.

    2011-04-04

    The electronic structures of Mg/Ca- and/or Mo/W- (mono- and co-) doped anatase TiO{sub 2} have been investigated via generalized Kohn-Sham theory with the Heyd-Scuseria-Ernzerhof hybrid functional for exchange-correlation (J. Heyd et al., [J. Chem. Phys. 118, 8207 (2003)], J. Heyd et al., [J. Chem. Phys. 124, 219906 (2006)], and J. Paier et al., [J. Chem. Phys. 125, 249901 (2006)]), in the context of density functional theory. Gap narrowing is small for monodoping, which also creates impuritiy bands in the ''forbidden gap,'' either as acceptor or donor states, limiting possible utility as visible-light photocatalysts. However, codoping of Mg/Ca and Mo/W not only induces appreciable gap narrowing, but also serves to passivate the impurity bands, which can harvest visible-light to a greater extent. Considering ionic radii, Mg and Mo should constitute the best cation-pair.

  14. Effect of Siloxane Ring Strain and Cation Charge Density on the Formation of Coordinately Unsaturated Metal Sites on Silica: Insights from DFT Studies

    SciTech Connect (OSTI)

    Das, Ujjal; Zhang, Guanghui; Hu, Bo; Hock, Adam S.; Redfern, Paul C.; Miller, Jeffrey T.; Curtiss, Larry A.

    2015-12-01

    Amorphous silica (SiO2) is commonly used as a support in heterogeneous catalysis. However, due to the structural disorder and temperature induced change of surface morphology, the structures of silica supported metal catalysts are difficult to determine. Most studies are primarily focused on understanding the interactions of different types of surface hydroxyl groups with metal ions. In comparison, the effect of siloxane ring size on the structure of silica supported metal catalysts and how it affects catalytic activity is poorly understood. Here, we have used density functional theory calculations to understand the effect of siloxane ring strain on structure and activity of different monomeric Lewis acid metal sites on silica. In particular, we have found that large siloxane rings favor strong dative bonding interaction between metal ion and surface hydroxyls, leading to the formation of high-coordinate metal sites. In comparison, metal-silanol interaction is weak in small siloxane rings, resulting in low-coordinate metal sites. The physical origin of this size dependence is associated with siloxane ring strain, and, a correlation between metal-silanol interaction energy and ring strain energy has been observed. In addition to ring strain, the strength of the metal-silanol interaction also depends on the positive charge density of the cations. In fact, a correlation also exists between metal-silanol interaction energy and charge density of several first-row transition and post-transition metals. The theoretical results are compared with the EXAFS data of monomeric Zn(II) and Ga(III) ions grafted on silica. The molecular level insights of how metal ion coordination on silica depends on siloxane ring strain and cation charge density will be useful in the synthesis of new catalysts.

  15. Novel chemically stable Ba3Ca1.18Nb1.82-xYxO9- proton conductor: improved proton conductivity through tailored cation ordering

    SciTech Connect (OSTI)

    Wang, Siwei; Chen, Yan; Fang, Shumin; Zhang, Lingling; Tang, Ming; An, Ke; Brinkman, Dr. Kyle S.; Chen, Fanglin

    2014-01-01

    Simple perovskite-structured proton conductors encounter significant challenges to simultaneously achieving excellent chemical stability and proton conductivity that are desirable for many important applications in energy conversion and storage. This work demonstrates that Y-doped complex-perovskite-structured Ba3Ca1.18Nb1.82 xYxO9 materials possess both improved proton conductivity and exceptional chemical stability. Neutron powder diffraction refinement revealed a Fm3 m perovskite-structure and increased oxygen vacancy concentration due to the Y doping. High-resolution TEM analysis confirmed the perturbation of the B site cation ordering in the structure for the Ba3Ca1.18Nb1.82 xYxO9 materials. Such combined effects led to improved proton conductivity with a value of 5.3 10 3 S cm 1 at 600 C for Ba3Ca1.18Nb1.52Y0.3O9 (BCNY0.3), a value 2.4 times higher compared with that of the undoped Ba3Ca1.18Nb1.82O9 . The Ba3Ca1.18Nb1.82 xYxO9 materials showed remarkable chemical stability toward water and demonstrated no observable reactions to CO2 exposure. Ionic transport number studies showed that BCNY0.3 had predominantly proton conduction below 600 C. Solid oxide fuel cells using BCNY0.3 as an electrolyte demonstrated cell power output of 103 mW cm 2 at 750 C. These results suggest that a doping strategy that tailors the cation ordering in complex perovskites provides a new direction in the search for novel proton conducting ceramics.

  16. Scandium induced structural transformation and B?:B? cationic ordering in Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} multiferroic ceramics

    SciTech Connect (OSTI)

    Mallesham, B.; Ranjith, R.; Manivelraja, M.

    2014-07-21

    The current study explores non-magnetic Sc{sup 3+} induced structural transformation, evolution of local B-site cation ordering and associated effect on ferroelectric phase transition temperature T{sub max} (temperature corresponding to dielectric maxima) on increasing the atom percent of Sc substitution in [Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} (PFN)] ceramics. In this regard, the phase pure Pb[(Fe{sub 0.5?x}Sc{sub x})Nb{sub 0.5}]O{sub 3} ceramics with x varying from 0 to 0.5 were synthesized through solid state reaction route. The detailed structural analysis through Rietveld refinement confirms the room temperature transformation from a monoclinic Cm to rhombohedral R3m structure at x?=?0.3?mol.?% of Sc. Absorption spectra studies show that there is a considerable increment in the bandgap at higher scandium content. Most interestingly, the T{sub max} exhibited an increment for lower scandium contents (x?=?0.1 to 0.25) followed by a drop in T{sub max} (x?=?0.3 to 0.5). Such anomalous behavior in T{sub max} is expected to arise due to the onset of B?, B? local cation ordering beyond Sc content x?=?0.25. The B-site cation ordering at and beyond x?=?0.3 was also confirmed by the evolution of cation order induced Pb-O coupled vibrational mode in Raman scattering studies. In addition, the Mssbauer spectra of PFN (x?=?0) and Pb(Fe{sub 0.4}Sc{sub 0.1}Nb{sub 0.5})O{sub 3} (x?=?0.1) are reported to verify the spin state and oxidation state of iron. The lattice distortion due to the radius ratio difference between a Sc{sup 3+} cation and Fe{sup 3+} cation in low spin state is responsible for the structural transformation, which in turn facilitates a B?:B? cation ordering.

  17. Propane ammoxidation over the Mo-V-Te-Nb-O M1 phase: Reactivity of surface cations in hydrogen abstraction steps

    SciTech Connect (OSTI)

    Muthukumar, Kaliappan; Yu, Junjun; Xu, Ye; Guliants, Vadim V.

    2011-01-01

    Density functional theory calculations (GGA-PBE) have been performed to investigate the adsorption of C3 (propane, isopropyl, propene, and allyl) and H species on the proposed active center present in the surface ab planes of the bulk Mo-V-Te-Nb-O M1 phase in order to better understand the roles of the different surface cations in propane ammoxidation. Modified cluster models were employed to isolate the closely spaced V=O and Te=O from each other and to vary the oxidation state of the V cation. While propane and propene adsorb with nearly zero adsorption energy, the isopropyl and allyl radicals bind strongly to V=O and Te=O with adsorption energies, {Delta}E, being {le} -1.75 eV, but appreciably more weakly on other sites, such as Mo=O, bridging oxygen (Mo-O-V and Mo-O-Mo), and empty metal apical sites ({Delta}E > -1 eV). Atomic H binds more strongly to Te = O ({Delta}E {le} -3 eV) than to all the other sites, including V = O ({Delta}E = -2.59 eV). The reduction of surface oxo groups by dissociated H and their removal as water are thermodynamically favorable except when both H atoms are bonded to the same Te=O. Consistent with the strong binding of H, Te=O is markedly more active at abstracting the methylene H from propane (E{sub a} {le} 1.01 eV) than V = O (E{sub a} = 1.70 eV on V{sup 5+} = O and 2.13 eV on V{sup 4+} = O). The higher-than-observed activity and the loose binding of Te = O moieties to the mixed metal oxide lattice of M1 raise the question of whether active Te = O groups are in fact present in the surface ab planes of the M1 phase under propane ammoxidation conditions.

  18. Cation mixing, band offsets and electric fields at LaAlO3/SrTiO3(001) heterojunctions with variable La:Al atom ratio

    SciTech Connect (OSTI)

    Qiao, Liang; Droubay, Timothy C.; Kaspar, Tiffany C.; Sushko, P. V.; Chambers, Scott A.

    2011-08-01

    Interfacial intermixing and electronic structure were investigated at thin (35 unit cells.), epitaxial La1 ? xAl1 + xO3/SrTiO3(001) heterojunctions for x = 0 and 0.05. Angle-resolved X-ray photoelectron spectroscopy reveals rather extensive cation intermixing for all films, independent of composition. The valence band offset for the nominally stoichiometric (x = 0) film is 0.16 0.10 eV, with the valence band maximum of SrTiO3 being deeper in binding energy than that of LaAlO3. Similar values are obtained for x = 0.05. There is no measurable band bending in either the LaAlO3 or the SrTiO3 near the interface. These results are at odds with first principles theoretical predictions based on perfect stoichiometry and an abrupt interface model. However, inclusion of intermixing in the compositional description of the interface results in successful prediction of the valence band offset and absence of band bending.

  19. The impacts of cation stoichiometry and substrate surface quality on nucleation, structure, defect formation, and intermixing in complex oxide heteroepitaxy LaCrO3 on SrTiO3(001)

    SciTech Connect (OSTI)

    Qiao, Liang; Zhang, K. H. L; Bowden, Mark E; Varga, Tamas; Shutthanandan, Vaithiyalingam; Colby, Robert; Du, Yingge; Kabius, Bernd; Sushko, Peter V; Biegalski, Michael D; Chambers, S. A.

    2013-01-01

    Our ability to design and fabricate electronic devices with reproducible properties using complex oxides is critically dependent on our ability to controllably synthesize these materials in thin-film form. Structure-property relationships are intimately tied to film and interface composition Here we report on the effect of cation stoichiometry on structural quality and defect formation in LaCrO3 heteroepitaxial films prepared using molecular beam epitaxy. We calculate from first principles the regions of stability of various candidate defects as a function of Cr and O chemical potential, along with the predicted effects of these defects on structural parameters. We show that epitaxial LaCrO3 films readily nucleate and remain coherently strained on SrTiO3(001) over a wide range of La-to-Cr atom ratios, but that La-rich films are of considerably lower structural quality than stoichiometric and Cr-rich films. Cation imbalances are accompanied by anti-site defect formation, as deduced by comparing experimental trends in the c lattice parameter with those from first-principles calculations. Cation mixing occurs at the interface for all La-to-Cr ratios investigated, and is not quenched by deposition on SrTiO3(001) at ambient temperature. Indiffused La atoms occupy Sr sites, most likely facilitated by Sr vacancy formation in STO resulting from high-temperature oxygen annealing required to prepare the substrate. Intermixing is effectively quenched by using molecular beam epitaxy to deposit LaCrO3 at ambient temperature on defect free Si(001). However, analogous pulsed laser deposition on Si is accompanied by cation mixing.

  20. Nanoscale Phase Separation, Cation Ordering, and Surface Oxygen Chemistry in Pristine Li1.2Ni0.2Mn0.6O2 for Li-Ion Batteries

    SciTech Connect (OSTI)

    Gu, Meng; Genc, Arda; Belharouak, Ilias; Wang, Dapeng; Amine, Khalil; Thevuthasan, Suntharampillai; Baer, Donald R.; Zhang, Jiguang; Browning, Nigel D.; Liu, Jun; Wang, Chong M.

    2013-05-14

    Li-rich layered material Li1.2Ni0.2Mn0.6O2 possesses high voltage and high specific capacity, which makes it an attractive candidate for the transportation industry and sustainable energy storage systems. The rechargeable capacity of the Li-ion battery is linked largely to the structural stability of the cathode materials during the charge-discharge cycles. However, the structure and cation distribution in pristine (un-cycled) Li1.2Ni0.2Mn0.6O2 have not yet been fully characterized. Using a combination of aberration-corrected scanning/transmission electron microscopy, X-ray dispersive energy spectroscopy (XEDS), electron energy loss spectroscopy (EELS), and complementary multislice image simulation, we have probed the crystal structure, cation/anion distribution, and electronic structure of Li1.2Ni0.2Mn0.6O2 nanoparticle. We discovered that the electronic structure and valence state of transition metal ions show significant variations, which have been identified to be attributed to the oxygen deficiency near the particle surfaces. Characterization of the nanoscale phase separation and cation ordering in the pristine material are critical for understanding the capacity and voltage fading of this material for battery application.

  1. inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model

    SciTech Connect (OSTI)

    Ridley, Mora K.; Hiemstra, T; Van Riemsdijk, Willem H.; Machesky, Michael L.

    2009-01-01

    Acid base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in principle does not require a molecular picture. The models are typically calibrated to relatively simple solid-electrolyte solution pairs and may provide poor descriptions of complex multicomponent mineral aqueous solutions, including those found in natural environments. Surface complexation models may be improved by incorporating molecular-scale surface structural information to constrain the modeling efforts. Here, we apply a concise, molecularly-constrained surface complexation model to a diverse suite of surface titration data for rutile and thereby begin to address the complexity of multi-component systems. Primary surface charging curves in NaCl, KCl, and RbCl electrolyte media were fit simultaneously using a charge distribution (CD) and multisite complexation (MUSIC) model [Hiemstra T. and Van Riemsdijk W. H. (1996) A surface structural approach to ion adsorption: the charge distribution (CD) model. J. Colloid Interf. Sci. 179, 488 508], coupled with a Basic Stern layer description of the electric double layer. In addition, data for the specific interaction of Ca2+ and Sr2+ with rutile, in NaCl and RbCl media, were modeled. In recent developments, spectroscopy, quantum calculations, and molecular simulations have shown that electrolyte and divalent cations are principally adsorbed in various inner-sphere configurations on the rutile 110 surface [Zhang Z., Fenter P., Cheng L., Sturchio N. C., Bedzyk M. J., Pr edota M., Bandura A., Kubicki J., Lvov S. N., Cummings P. T., Chialvo A. A., Ridley M. K., Be ne zeth P., Anovitz L., Palmer D. A., Machesky M. L. and Wesolowski D. J. (2004) Ion adsorption at the rutile water interface: linking molecular and macroscopic properties. Langmuir 20, 4954 4969]. Our CD modeling results are consistent with these adsorbed configurations provided adsorbed cation charge is allowed to be distributed between the surface (0-plane) and Stern plane (1-plane). Additionally, a complete description of our titration data required inclusion of outer-sphere binding, principally for Cl which was common to all solutions, but also for Rb+ and K+. These outer-sphere species were treated as point charges positioned at the Stern layer, and hence determined the Stern layer capacitance value. The modeling results demonstrate that a multi-component suite of experimental data can be successfully rationalized within a CD and MUSIC model using a Stern-based description of the EDL. Furthermore, the fitted CD values of the various inner-sphere complexes of the mono- and divalent ions can be linked to the microscopic structure of the surface complexes and other data found by spectroscopy as well as molecular dynamics (MD). For the Na+ ion, the fitted CD value points to the presence of bidenate inner-sphere complexation as suggested by a recent MD study. Moreover, its MD dominance quantitatively agrees with the CD model prediction. For Rb+, the presence of a tetradentate complex, as found by spectroscopy, agreed well with the fitted CD and its predicted presence was quantitatively in very good agreement with the amount found by spectroscopy.

  2. Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations

    SciTech Connect (OSTI)

    Pokorna, Sarka; Jurkiewicz, Piotr; Hof, Martin; Vazdar, Mario; Cwiklik, Lukasz; Jungwirth, Pavel

    2014-12-14

    Time-dependent fluorescence shift (TDFS) of Laurdan embedded in phospholipid bilayers reports on hydration and mobility of the phospholipid acylgroups. Exchange of H{sub 2}O with D{sub 2}O prolongs the lifetime of lipid-water and lipid-water-lipid interactions, which is reflected in a significantly slower TDFS kinetics. Combining TDFS measurements in H{sub 2}O and D{sub 2}O hydrated bilayers with atomistic molecular dynamics (MD) simulations provides a unique tool for characterization of the hydrogen bonding at the acylgroup level of lipid bilayers. In this work, we use this approach to study the influence of fluoride anions on the properties of cationic bilayers composed of trimethylammonium-propane (DOTAP). The results obtained for DOTAP are confronted with those for neutral phosphatidylcholine (DOPC) bilayers. Both in DOTAP and DOPC H{sub 2}O/D{sub 2}O exchange prolongs hydrogen-bonding lifetime and does not disturb bilayer structure. These results are confirmed by MD simulations. TDFS experiments show, however, that for DOTAP this effect is cancelled in the presence of fluoride ions. We interpret these results as evidence that strongly hydrated fluoride is able to steal water molecules that bridge lipid carbonyls. Consequently, when attracted to DOTAP bilayer, fluoride disrupts the local hydrogen-bonding network, and the differences in TDFS kinetics between H{sub 2}O and D{sub 2}O hydrated bilayers are no longer observed. A distinct behavior of fluoride is also evidenced by MD simulations, which show different lipid-ion binding for Cl{sup ?} and F{sup ?}.

  3. Pressure Temperature Log | Open Energy Information

    Open Energy Info (EERE)

    to reach equilibrium with the surrounding formation is going to provide the most accurate reservoir temperature (Blackwell, et al., 2010). Potential Pitfalls Fluids are being...

  4. Connect & Log In | Argonne Leadership Computing Facility

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    Unauthorized or improper use of this system may result in administrative disciplinary action and civil and criminal penalties. By continuing to use this system you indicate...

  5. Microsoft Word - FOIA Log FY 2003.doc

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    to scope of work, and the like Yes 12403 003 11503 12203 Direct Requested that you forward to this office your latest organizational chart, andor staff directory at your...

  6. High cation transport polymer electrolyte

    DOE Patents [OSTI]

    Gerald, II, Rex E. (Brookfield, IL); Rathke, Jerome W. (Homer Glen, IL); Klingler, Robert J. (Westmont, IL)

    2007-06-05

    A solid state ion conducting electrolyte and a battery incorporating same. The electrolyte includes a polymer matrix with an alkali metal salt dissolved therein, the salt having an anion with a long or branched chain having not less than 5 carbon or silicon atoms therein. The polymer is preferably a polyether and the salt anion is preferably an alkyl or silyl moiety of from 5 to about 150 carbon/silicon atoms.

  7. Four homochiral coordination polymers contain N-acetyl-L-tyrosine and different N-donor ligand: Influence of metal cations, ancillary ligands and coordination modes

    SciTech Connect (OSTI)

    Li, Meng-Li; Song, Hui-Hua

    2013-10-15

    Using the chiral ligand N-acetyl-L-tyrosine (Hacty) and maintaining identical reaction conditions, Zn(II), Co(II), and Cd(II) salts provided four novel homochiral coordination polymers ([Zn(acty)(bipy){sub 2}(H{sub 2}O){sub 2}]NO{sub 3}2H{sub 2}O){sub n}1, ([Co(acty)(bipy){sub 2}(H{sub 2}O){sub 2}]NO{sub 3}2H{sub 2}O){sub n}2, ([Cd(acty){sub 2}(bipy)H{sub 2}O]H{sub 2}O){sub n}3, and ([Cd(acty)(bpe){sub 2}(Ac)]6H{sub 2}O){sub n}4 (bipy=4,4?-bipyridine; bpe=1,2-di(4-pyridyl)ethane) in the presence of ancillary ligands. Compounds 1 and 2 are isostructural 1D chain structures. The neighboring chains are further linked into a 3D supramolecular structure via ??? stacking and hydrogen bond interactions. Compound 3 shows a 2D network and 4 generates 1D infinite chains along the c-axis. Compounds 3 and 4 are further connected into 3D supramolecular network by hydrogen bond interactions. More importantly, coordination in acyl oxygen atoms and ancillary ligands (bpe) as monodentate decorating ligands in 4 are rarely reported. Ancillary ligands and metal cations significantly influence the structure of the complexes. The photoluminescence properties of 1, 3, and 4 were studied at room temperature. Circular dichroism (CD) of the complexes have been investigated. - Graphical abstract: Four new homochiral coordination polymers were prepared and structurally characterized, which investigate the influence of the ancillary ligands and metal ions on the design and synthesis of coordination polymers. Display Omitted - Highlights: It is rarely reported that the chiral coordination polymers prepared with N-acetyl-L-tyrosine ligands. The alkalescent acetyl oxygen atom is difficult to participate in coordination but it is happened in the N-acetyl-L-tyrosine ligands. The ancillary ligands (4,4?-bipy and bpe) are present in an unusual coordination modes, monodentate decorating ligands in 1, 2 and 4. Structure comparative analyses results indicate that the secondary ligands and metal ions influence the fabrication of these inorganicorganic arrangements.

  8. The Impacts of Cation Stoichiometry and Substrate Surface Quality on Nucleation, Structure, Defect Formation, and Intermixing in Complex Oxide HeteroepitaxyLaCrO3 on SrTiO3(001)

    SciTech Connect (OSTI)

    Qiao, Liang; Zhang, Hongliang; Bowden, Mark E.; Varga, Tamas; Shutthanandan, V.; Colby, Robert J.; Du, Yingge; Kabius, Bernd C.; Sushko, P. V.; Biegalski, Michael D.; Chambers, Scott A.

    2013-06-20

    Our ability to design and fabricate electronic devices with reproducible properties using complex oxides is critically dependent on our ability to controllably synthesize these materials in thin-film form. Structure-property relationships are intimately tied to film and interface composition. Here we report on the effects of cation stoichiometry in LaCrO3 heteroepitaxial films prepared using molecular beam epitaxy. We show that LaCrO3 films grow pseudomorphically on SrTiO3(001) over an wide range of La-to-Cr atom ratios. However, the growth mode and structural quality are sensitive to the La-to-Cr ratio, with La-rich films being of considerably lower structural quality than Cr-rich films. Cation mixing occurs at the interface for all La-to-Cr ratios investigated, and is not quenched by deposition at ambient temperature. Indiffused La atoms occupy Sr sites in the substrate. The presence of defects in the SrTiO3 substrate is implicated in promoting La indiffusion by comparing the properties of LaCrO3/SrTiO3 with those of LaCrO3/Si, both prepared at ambient temperature. Additionally, pulsed laser deposition is shown to result in more extensive interfacial mixing than molecular beam epitaxy for deposition at ambient temperature on Si.

  9. Systematic approach for simultaneously correcting the band-gap andp-dseparation errors of common cation III-V or II-VI binaries in density functional theory calculations within a local density approximation

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

    Wang, Jianwei; Zhang, Yong; Wang, Lin-Wang

    2015-07-31

    We propose a systematic approach that can empirically correct three major errors typically found in a density functional theory (DFT) calculation within the local density approximation (LDA) simultaneously for a set of common cation binary semiconductors, such as III-V compounds, (Ga or In)X with X = N,P,As,Sb, and II-VI compounds, (Zn or Cd)X, with X = O,S,Se,Te. By correcting (1) the binary band gaps at high-symmetry points , L, X, (2) the separation of p-and d-orbital-derived valence bands, and (3) conduction band effective masses to experimental values and doing so simultaneously for common cation binaries, the resulting DFT-LDA-based quasi-first-principles methodmore » can be used to predict the electronic structure of complex materials involving multiple binaries with comparable accuracy but much less computational cost than a GW level theory. This approach provides an efficient way to evaluate the electronic structures and other material properties of complex systems, much needed for material discovery and design.« less

  10. Understanding chemical reactions of CO{sub 2} and its isoelectronic molecules with 1-butyl-3-methylimidazolium acetate by changing the nature of the cation: The case of CS{sub 2} in 1-butyl-1-methylpyrrolidinium acetate studied by NMR spectroscopy and density functional theory calculations

    SciTech Connect (OSTI)

    Cabao, M. Isabel, E-mail: isabelcabaco@ist.utl.pt [Departamento de Fsica, Instituto Superior Tcnico, UTL, Av. Rovisco Pais 1049-001 Lisboa (Portugal); Centro de Fsica Atmica da UL, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); Besnard, Marcel; Danten, Yann [GSM Institut des Sciences Molculaires, CNRS (UMR 5255), Universit de Bordeaux, 351, Cours de la Libration 33405 Talence Cedex (France); Chvez, Fabin Vaca [Centro de Fsica da Matria Condensada da UL, Av. Prof. Gama Pinto 2, 1694-003 Lisboa (Portugal); Pinaud, Nol [CESAMO Institut des Sciences Molculaires, CNRS (UMR 5255), Universit de Bordeaux, 351, Cours de la Libration 33405 Talence Cedex (France); Sebastio, Pedro J. [Departamento de Fsica, Instituto Superior Tcnico, UTL, Av. Rovisco Pais 1049-001 Lisboa (Portugal); Centro de Fsica da Matria Condensada da UL, Av. Prof. Gama Pinto 2, 1694-003 Lisboa (Portugal); Coutinho, Joo A. P. [CICECO, Departamento de Qumica, Universidade de Aveiro 3810-193 Aveiro (Portugal)

    2014-06-28

    NMR spectroscopy ({sup 1}H, {sup 13}C, {sup 15}N) shows that carbon disulfide reacts spontaneously with 1-butyl-1-methylpyrrolidinium acetate ([BmPyrro][Ac]) in the liquid phase. It is found that the acetate anions play an important role in conditioning chemical reactions with CS{sub 2} leading, via coupled complex reactions, to the degradation of this molecule to form thioacetate anion (CH{sub 3}COS{sup ?}), CO{sub 2}, OCS, and trithiocarbonate (CS{sub 3}{sup 2?}). In marked contrast, the cation does not lead to the formation of any adducts allowing to conclude that, at most, its role consists in assisting indirectly these reactions. The choice of the [BmPyrro]{sup +} cation in the present study allows disentangling the role of the anion and the cation in the reactions. As a consequence, the ensemble of results already reported on CS{sub 2}-[Bmim][Ac] (1), OCS-[Bmim][Ac] (2), and CO{sub 2}-[Bmim][Ac] (3) systems can be consistently rationalized. It is argued that in system (1) both anion and cation play a role. The CS{sub 2} reacts with the acetate anion leading to the formation of CH{sub 3}COS{sup ?}, CO{sub 2}, and OCS. After these reactions have proceeded the nascent CO{sub 2} and OCS interact with the cation to form imidazolium-carboxylate ([Bmim] CO{sub 2}) and imidazolium-thiocarboxylate ([Bmim] COS). The same scenario also applies to system (2). In contrast, in the CO{sub 2}-[Bmim] [Ac] system a concerted cooperative process between the cation, the anion, and the CO{sub 2} molecule takes place. A carbene issued from the cation reacts to form the [Bmim] CO{sub 2}, whereas the proton released by the ring interacts with the anion to produce acetic acid. In all these systems, the formation of adduct resulting from the reaction between the solute molecule and the carbene species originating from the cation is expected. However, this species was only observed in systems (2) and (3). The absence of such an adduct in system (1) has been theoretically investigated using DFT calculations. The values of the energetic barrier of the reactions show that the formation of [Bmim] CS{sub 2} is unfavoured and that the anion offers a competitive reactive channel via an oxygen-sulphur exchange mechanism with the solute in systems (1) and (2)

  11. Property:HydroInfo | Open Energy Information

    Open Energy Info (EERE)

    Multicomponent Geothermometers N Near Infrared Surveys O Oblique Aerial & Ground Visible Band & Thermographic Imaging Over Core Stress P Paleomagnetic Measurements...

  12. Dating thermal events at Cerro Prieto using fission-track annealing

    SciTech Connect (OSTI)

    Sanford, S.J.; Elders, W.A.

    1981-01-01

    The duration of heating in the Cerro Prieto reservoir was estimated by relating the fading of spontaneous fission tracks in detrital apatite to observed temperatures. The rate of fading is a function of both time and temperature. The apparent fission track age of the detrital apatites then, is a function of both their source age and their time-temperature history. Data from laboratory experiments and geologic fading studies were compiled from published sources to produce lines of iso-annealing for apatite in time-temperature space. Fission track ages were calculated for samples from two wells at Cerro Prieto, one with an apparently simple and one with an apparently complex thermal history. Temperatures were estimated by empirical vitrinite reflectance geothermometry, fluid inclusion homogenization and oxygen isotope equilibrium. These estimates were compared with logs of measured borehole temperatures. The temperature in well T-366, where complete annealing first occurs, was estimated to be between 160 and 180{sup 0}C. Complete annealing at these temperatures requires 10{sup 4} and 10{sup 3} years, respectively. Well M-94 has an apparently complex thermal history. Geothermometers in this well indicate temperatures some 50 to 100{sup 0}C higher than those measured directly in the borehole. Fission tracks are partially preserved in M-94 where paleotemperatures were as high as 200{sup 0}C and are erased where geothermometers indicate temperatures of 250{sup 0}C. This implies a thermal event less than 10{sup 1} years and greater than 10{sup 0} years in duration.

  13. Cationic phospholipids: structure transfection activity relationships...

    Office of Scientific and Technical Information (OSTI)

    Indeed, X-ray structural studies show that the rate of DNA release from lipoplexes as well ... These findings appear tomore be of considerable interest because, according to current ...

  14. Opposite correlations between cation disordering and amorphization...

    Office of Scientific and Technical Information (OSTI)

    Authors: Uberuaga, Blas Pedro 1 ; Tang, Ming 1 ; Jiang, Chao 2 ; Valdez, James A. 1 ; Smith, Roger 3 ; Wang, Yongqiang 1 ; Sickafus, Kurt E. 4 + Show Author ...

  15. RECOVERY OF TETRAVALENT CATIONS FROM AQUEOUS SOLUTIONS

    DOE Patents [OSTI]

    Moore, R.L.

    1958-05-01

    The recovery of plutonium, zirconium, and tetravalent cerium values from aqueous solutions is described. It consists of adding an alkyl phosphate to a nnineral acid aqueous solution containing the metal to be recovered, whereby a precipitate forms with the tetravalent values, and separating the precipitate from the solution. All alkyl phosphates, if water-soluble, are suitable for the process; however, monobutyl phosphate has been found best.

  16. Cationic phospholipids: structure transfection activity relationships...

    Office of Scientific and Technical Information (OSTI)

    Publication Date: 2010-01-18 OSTI Identifier: 1006072 Resource Type: Journal Article Resource Relation: Journal Name: Soft Matter; Journal Volume: 5; Journal Issue: (17) ; 2009 ...

  17. Pressure Temperature Log At Roosevelt Hot Springs Geothermal...

    Open Energy Info (EERE)

    Unknown Exploration Basis Faulder 1991 Conceptual Geological Model compilation and literature review of the Roosevelt Hot Springs Geothermal Area. Notes Pre-exploitation...

  18. Pressure Temperature Log At Valles Caldera - Redondo Geothermal...

    Open Energy Info (EERE)

    New Mexico (VC-1) Jamie N. Gardner, Fraser E. Goff, Sue Goff, Larry Maassen, K. Mathews, Daniel Wachs, D. Wilson (1987) Core Lithology, Valles Caldera No. 1, New Mexico...

  19. Neutron Log At Valles Caldera - Redondo Geothermal Area (Rowley...

    Open Energy Info (EERE)

    New Mexico (VC-1) Jamie N. Gardner, Fraser E. Goff, Sue Goff, Larry Maassen, K. Mathews, Daniel Wachs, D. Wilson (1987) Core Lithology, Valles Caldera No. 1, New Mexico...

  20. Caliper Log At Valles Caldera - Redondo Geothermal Area (Rowley...

    Open Energy Info (EERE)

    New Mexico (VC-1) Jamie N. Gardner, Fraser E. Goff, Sue Goff, Larry Maassen, K. Mathews, Daniel Wachs, D. Wilson (1987) Core Lithology, Valles Caldera No. 1, New Mexico...

  1. Gamma Log At Valles Caldera - Redondo Geothermal Area (Rowley...

    Open Energy Info (EERE)

    New Mexico (VC-1) Jamie N. Gardner, Fraser E. Goff, Sue Goff, Larry Maassen, K. Mathews, Daniel Wachs, D. Wilson (1987) Core Lithology, Valles Caldera No. 1, New Mexico...

  2. Resistivity Log At Valles Caldera - Redondo Geothermal Area ...

    Open Energy Info (EERE)

    New Mexico (VC-1) Jamie N. Gardner, Fraser E. Goff, Sue Goff, Larry Maassen, K. Mathews, Daniel Wachs, D. Wilson (1987) Core Lithology, Valles Caldera No. 1, New Mexico...

  3. Acoustic Logs At Steamboat Springs Area (Combs, Et Al., 1999...

    Open Energy Info (EERE)

    acoustic borehole televiewer (BHTV) yielded wellbore images down to 520';and a Sandia memory tool gave pressuretemperature data for a shut-in test at the end of the project....

  4. Acoustic Logs At Newberry Caldera Area (Combs, Et Al., 1999)...

    Open Energy Info (EERE)

    more improvements DOE-funding Unknown Notes The acoustic borehole televiewer (BHTV) was run twice in the wellbore with limited success. There were several problems with the tool's...

  5. Pressure Temperature Log At Chena Geothermal Area (Holdmann,...

    Open Energy Info (EERE)

    during the GRED III Phase I exploration program. References Gwen Holdmann, Dick Benoit, David Blackwell (2006) Integrated Geoscience Investigation and Geothermal Exploration at...

  6. Uniduto Log stica S A UNIDUTO | Open Energy Information

    Open Energy Info (EERE)

    the development, construction and operation of an ethanol pipeline network linking the port terminal on the coast of Sao Paulo state and the city of Paulinia. References: Uniduto...

  7. Pressure Temperature Log At Steamboat Springs Area (Combs, Et...

    Open Energy Info (EERE)

    normal test. If this effect is not compensated, heating the electronics will cause the signal output to drift, giving unreliable data. A properly cahbrated tool accounts for the...

  8. Manager's Signature Log Privacy Impact Assessment, Office of...

    Energy Savers [EERE]

    PIA - Tour Tracker Energy Employees' Occupational Illness Compensation Program Act (EEOICPA) Tracking Database, INL Energy Employees' Occupational Illness Compensation Program...

  9. Electric Micro Imager Log At Coso Geothermal Area (2003) | Open...

    Open Energy Info (EERE)

    be corrected for well-bore deviation. References Rose, P.; Barton, C.; McCulloch, J.; Moore, J.N.; Kovac, K.; Sheridan, J.; Spielman, P.; Berard, B. (1 January 2003) The Coso EGS...

  10. Resistivity Log At Alum Area (Moos & Ronne, 2010) | Open Energy...

    Open Energy Info (EERE)

    and Cross-Well Resistivity Activity Date Usefulness useful DOE-funding Unknown Notes Density and electrical resistivity data were important to calibrate structural models based...

  11. Well Log Data At Valles Caldera - Redondo Geothermal Area (Shevenell...

    Open Energy Info (EERE)

    extending to the AET-4 well near Jemez Springs. References Lisa Shevenell, Fraser E. Goff, Dan Miles, Al Waibel, Chandler Swanberg (1988) Lithologic Descriptions and Temperature...

  12. Chicago Office Manager's Signature Log Privacy Impact Assessment

    Energy Savers [EERE]

  13. Templates and Examples — Statistics and Search Log Analysis

    Broader source: Energy.gov [DOE]

    Here you will find custom templates and EERE-specific examples you can use to plan, conduct, and report on your usability and analysis activities. These templates are examples of forms you might use, but you are not required to use them for EERE products.

  14. Resistivity Log At Valles Caldera - Sulphur Springs Geothermal...

    Open Energy Info (EERE)

    presents a good target for surface geophysical prospecting. References Michael Wilt, Stephen Vonder Haar (1986) A Geological And Geophysical Appraisal Of The Baca Geothermal...

  15. Cross-Dipole Acoustic Log | Open Energy Information

    Open Energy Info (EERE)

    Sonic Imager Internet. 2013. cited 20131010. Available from: http:www.slb.comservicescharacterizationgeomechanicswirelinedipoleshearsonicimager.aspx ...

  16. Resistivity Log At Long Valley Caldera Geothermal Area (Nordquist...

    Open Energy Info (EERE)

    Volcanic Complex: A Preliminary Magnetotelluric and Magnetic Variation Interpretation Philip E. Wannamaker, P.M. Wright, Zhou Zi-xing, Li Xing-bin, Zhao Jing-xiang (1991)...

  17. Gamma Log At Lightning Dock Geothermal Area (Witcher, 2006) ...

    Open Energy Info (EERE)

    Usefulness useful DOE-funding Unknown Exploration Basis Part of the Geothermal Resource Evaluation and Definition (GRED) Program administered by DOE-AAO under Cooperative...

  18. d+d Fusions with Log-normal Model

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

    MacKenzie Warrens 1 Cryo-cooled gas mixture of D 2 + 3 He was released from the gas jet 90-180J pulse from the Texas Pettawatt Laser irradiated the D 2 clusters Coulomb...

  19. Descriptive logs, skeletonized samples, and photographs of core...

    Open Energy Info (EERE)

    skeletonized samples, and photographs of core from Presco Energy's thermal gradient wells P3-1, P10-1, and P32-2 in the Rye Patch area, Pershing County, Nevada Jump to:...

  20. Borehole SASW testing to evaluate log(G{sub max}) - log({sigma}{prime}) relationships in situ

    SciTech Connect (OSTI)

    Kalinski, M.E.; Stokoe, K.H. II; Young, Y.L.; Roesset, J.M.

    1999-07-01

    A new method is being developed for the in-situ measurement of shear wave velocity, V{sub s}, in the soil surrounding a borehole. The method involves the measurement of axially propagating surface waves inside an uncased borehole using the Spectral-Analysis-of-Surface-Waves (SASW) approach. Testing if performed with instrumentation housed inside an inflatable tool. Inflation pressures applied by the tool are used to vary radial stresses in the soil surrounding the borehole. Surface wave velocities over a range of frequencies are measured at each inflation pressure. These measurements are then theoretically modeled so that the variation in V{sub s} (an hence small-strain shear module, G{sub max}) with distance behind the borehole wall is determined at each pressure. The results of field tests with the borehole SASW tool at two sites composed of unsaturated clayey soil are presented. These results are compared with independent field seismic measurements and with laboratory tests on intact specimens using the torsional resonant column to assess the validity of the new field method.

  1. Systematic approach for simultaneously correcting the band-gap andp-dseparation errors of common cation III-V or II-VI binaries in density functional theory calculations within a local density approximation

    SciTech Connect (OSTI)

    Wang, Jianwei; Zhang, Yong; Wang, Lin-Wang

    2015-07-31

    We propose a systematic approach that can empirically correct three major errors typically found in a density functional theory (DFT) calculation within the local density approximation (LDA) simultaneously for a set of common cation binary semiconductors, such as III-V compounds, (Ga or In)X with X = N,P,As,Sb, and II-VI compounds, (Zn or Cd)X, with X = O,S,Se,Te. By correcting (1) the binary band gaps at high-symmetry points , L, X, (2) the separation of p-and d-orbital-derived valence bands, and (3) conduction band effective masses to experimental values and doing so simultaneously for common cation binaries, the resulting DFT-LDA-based quasi-first-principles method can be used to predict the electronic structure of complex materials involving multiple binaries with comparable accuracy but much less computational cost than a GW level theory. This approach provides an efficient way to evaluate the electronic structures and other material properties of complex systems, much needed for material discovery and design.

  2. Geothermometry At Teels Marsh Area (Coolbaugh, Et Al., 2006)...

    Open Energy Info (EERE)

    useful DOE-funding Unknown Notes Follow up (to ASTER satellite imaging) analysis of spring and well waters yielded geothermometer reservoir estimates up to 192C References...

  3. Geothermometry At Rhodes Marsh Area (Coolbaugh, Et Al., 2006...

    Open Energy Info (EERE)

    useful DOE-funding Unknown Notes Follow up (to ASTER satellite imaging) analysis of spring and well waters yielded geothermometer reservoir estimates up to 162C References...

  4. Property:StratInfo | Open Energy Information

    Open Energy Info (EERE)

    Microhole Array Multicomponent Geothermometers N Near Infrared Surveys O Oblique Aerial & Ground Visible Band & Thermographic Imaging Observation Wells Over Core Stress P...

  5. Property:LithologyInfo | Open Energy Information

    Open Energy Info (EERE)

    Geothermometers N Near Infrared Surveys Numerical Modeling O Oblique Aerial & Ground Visible Band & Thermographic Imaging Observation Wells Over Core Stress P PSInSAR...

  6. Geochemistry of the Wendel-Amedee Geothermal System-California...

    Open Energy Info (EERE)

    have been identified based on the concentrations of the conservative elements C1 and B, fluid enthalpies, and the application of chemical geothermometers. One is characterized by...

  7. Predicting proton titration in cationic micelle and bilayer environments

    SciTech Connect (OSTI)

    Morrow, Brian H.; Shen, Jana K.; Eike, David M.; Murch, Bruce P.; Koenig, Peter H.

    2014-08-28

    Knowledge of the protonation behavior of pH-sensitive molecules in micelles and bilayers has significant implications in consumer product development and biomedical applications. However, the calculation of pK{sub a}s in such environments proves challenging using traditional structure-based calculations. Here we apply all-atom constant pH molecular dynamics with explicit ions and titratable water to calculate the pK{sub a} of a fatty acid molecule in a micelle of dodecyl trimethylammonium chloride and liquid as well as gel-phase bilayers of diethyl ester dimethylammonium chloride. Interestingly, the pK{sub a} of the fatty acid in the gel bilayer is 5.4, 0.4 units lower than that in the analogous liquid bilayer or micelle, despite the fact that the protonated carboxylic group is significantly more desolvated in the gel bilayer. This work illustrates the capability of all-atom constant pH molecular dynamics in capturing the delicate balance in the free energies of desolvation and Coulombic interactions. It also shows the importance of the explicit treatment of ions in sampling the protonation states. The ability to model dynamics of pH-responsive substrates in a bilayer environment is useful for improving fabric care products as well as our understanding of the side effects of anti-inflammatory drugs.

  8. Colloid-Facilitated Transport of Cations in an Unsaturated Fractured...

    Office of Scientific and Technical Information (OSTI)

    fractured soil. To measure the spatial variability of infiltration of colloids and contaminants, samples were collected through a 19-port grid placed below the soil core in...

  9. Pore-size-distribution of cationic polyacrylamide hydrogels. Progress report

    SciTech Connect (OSTI)

    Kremer, M.; Prausnitz, J.M.

    1992-06-01

    The pore size distribution of a AAm/MAPTAC (acrylamide copolymerized with (3-methacrylamidopropyl)trimethylammonium chloride) hydrogel was investigated using Kuga`s mixed-solute-exclusion method, taking into account the wall effect. A Brownian-motion model is also used. Results show the feasibility of determining pore-size distribution of porous materials using the mixed-solute-exclusion method in conjunction with solution of the Fredholm equation; good agreement was obtained with experiment, even for bimodal pore structures. However, different pore size distributions were calculated for the two different probe-solutes (Dextran and poly(ethylene glycol/oxide)). Future work is outlined. 32 figs, 25 refs.

  10. Pore-size-distribution of cationic polyacrylamide hydrogels

    SciTech Connect (OSTI)

    Kremer, M.; Prausnitz, J.M.

    1992-06-01

    The pore size distribution of a AAm/MAPTAC (acrylamide copolymerized with (3-methacrylamidopropyl)trimethylammonium chloride) hydrogel was investigated using Kuga's mixed-solute-exclusion method, taking into account the wall effect. A Brownian-motion model is also used. Results show the feasibility of determining pore-size distribution of porous materials using the mixed-solute-exclusion method in conjunction with solution of the Fredholm equation; good agreement was obtained with experiment, even for bimodal pore structures. However, different pore size distributions were calculated for the two different probe-solutes (Dextran and poly(ethylene glycol/oxide)). Future work is outlined. 32 figs, 25 refs.

  11. PHOTODISSOCIATION DYNAMICS OF METHYLAMINE CATION AND ITS RELEVANCE...

    Office of Scientific and Technical Information (OSTI)

    in Titan's ionosphere. Our experimental and theoretical observations show that hydrogen loss from CHsub 3NHsub 2 sup + has two channels: one giving rise to the triplet...

  12. Characterization of Selective Binding of Alkali Cations with...

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

    x-rays, such as provided by the ALS. The team's measurements indicated carboxylate groups characteristic of proteins preferred sodium over potassium ions. These results lend...

  13. Novel Fluorescent Cationic Phospholipid, O-4-Napthylimido-1-Butyl...

    Office of Scientific and Technical Information (OSTI)

    Research Org: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL ... LIFE SCIENCES; ANHYDRIDES; CARDIOLIPIN; DNA; ENCAPSULATION; HYDRATION; LECITHINS; ...

  14. A proposal for positive cooperativity in anion-cation binding in yttrium and lutetium complexes based on o-amino-substituted phenolate ligands. On the way to coordination polymers by self-assembly. Molecular structures of [ClLu(OAr){sub 3}Na] (X-ray) and [ClY(OAr{prime}){sub 3}Y(OAr{prime}){sub 3}Na] (X-ray and {sup 89}Y-NMR)

    SciTech Connect (OSTI)

    Hogerheide, M.P.; Ringelberg, S.N.; Grove, D.M.

    1996-02-28

    The authors prepared the hetero(poly)metallic complexes [ClM(OAr){sub 3}Na] (M = Lu (3a), Y (3b)) and [ClY(OAr`){sub 3}Y(OAR`){sub 3}Na] (4) (OAr = OC{sub 6}H{sub 2}(CH{sub 2}NMe{sub 2}){sub 2}-2,6,Me-4; OAr` = OC{sub 6}H{sub 4}(CH{sub 2}NMe{sub 2})-2). Structural analysis was afforded by NMR spectroscopy and X-ray diffraction. The structures show evidence for anion-cation cooperativity in bonding and are discussed in detail for the compounds in both the solid state and in solution.

  15. Final Data Report: P- and S-Wave Velocity Logging Borings C4993, C4996, and C4997 Part B: Overall Logs

    SciTech Connect (OSTI)

    Diehl, John; Steller, Robert

    2007-03-20

    Insitu borehole P- and S-wave velocity measurements were collected in three borings located within the Waste Treatment Plant (WTP) boundaries at the Hanford Site, southeastern Washington. Geophysical data acquisition was performed between August and October of 2006 by Rob Steller, Charles Carter, Antony Martin and John Diehl of GEOVision. Data analysis was performed by Rob Steller and John Diehl, and reviewed by Antony Martin of GEOVision, and report preparation was performed by John Diehl and reviewed by Rob Steller. The work was performed under subcontract with Battelle, Pacific Northwest Division with Marty Gardner as Battelles Technical Representative and Alan Rohay serving as the Technical Administrator for Pacific Northwest National Laboratory (PNNL). This report describes the field measurements, data analysis, and results of this work.

  16. 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}.

  17. BACA Project: geothermal demonstration power plant. Final report

    SciTech Connect (OSTI)

    Not Available

    1982-12-01

    The various activities that have been conducted by Union in the Redondo Creek area while attempting to develop the resource for a 50 MW power plant are described. The results of the geologic work, drilling activities and reservoir studies are summarized. In addition, sections discussing the historical costs for Union's involvement with the project, production engineering (for anticipated surface equipment), and environmental work are included. Nineteen geothermal wells have been drilled in the Redondo Creek area of the Valles Caldera: a prominent geologic feature of the Jemez mountains consisting of Pliocene and Pleistocene age volcanics. The Redondo Creek area is within a complex longitudinal graben on the northwest flank of the resurgent structural dome of Redondo Peak and Redondo Border. The major graben faults, with associated fracturing, are geologically plausible candidates for permeable and productive zones in the reservoir. The distribution of such permeable zones is too erratic and the locations too imprecisely known to offer an attractive drilling target. Log analysis indicates there is a preferred mean fracture strike of N31W in the upper portion of Redondo Creek wells. This is approximately perpendicular to the major structure in the area, the northeast-striking Redondo Creek graben. The geothermal fluid found in the Redondo Creek reservoir is relatively benign with low brine concentrations and moderate H/sub 2/S concentrations. Geothermometer calculations indicate that the reservoir temperature generally lies between 500/sup 0/F and 600/sup 0/F, with near wellbore flashing occurring during the majority of the wells' production.

  18. Statistical Characterization of School Bus Drive Cycles Collected via Onboard Logging Systems

    SciTech Connect (OSTI)

    Duran, A.; Walkowicz, K.

    2013-10-01

    In an effort to characterize the dynamics typical of school bus operation, National Renewable Energy Laboratory (NREL) researchers set out to gather in-use duty cycle data from school bus fleets operating across the country. Employing a combination of Isaac Instruments GPS/CAN data loggers in conjunction with existing onboard telemetric systems resulted in the capture of operating information for more than 200 individual vehicles in three geographically unique domestic locations. In total, over 1,500 individual operational route shifts from Washington, New York, and Colorado were collected. Upon completing the collection of in-use field data using either NREL-installed data acquisition devices or existing onboard telemetry systems, large-scale duty-cycle statistical analyses were performed to examine underlying vehicle dynamics trends within the data and to explore vehicle operation variations between fleet locations. Based on the results of these analyses, high, low, and average vehicle dynamics requirements were determined, resulting in the selection of representative standard chassis dynamometer test cycles for each condition. In this paper, the methodology and accompanying results of the large-scale duty-cycle statistical analysis are presented, including graphical and tabular representations of a number of relationships between key duty-cycle metrics observed within the larger data set. In addition to presenting the results of this analysis, conclusions are drawn and presented regarding potential applications of advanced vehicle technology as it relates specifically to school buses.

  19. Station location map and audio-magnetotelluric data log for Rye...

    Open Energy Info (EERE)

    for Rye Patch known geothermal resource areaInfo GraphicMapChart Cartographers Long, C.L., and Batzle and M.L Published U S. Geological Survey, 1976 Report Number Open-File...

  20. Moab Project Logs 2 Million Work Hours Without Lost-Time Injury...

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

    Remedial Action Project, it represents the number of days without a work-related, lost-time injury or illness, as defined by the Occupational Safety and Health Administration....

  1. Well Log Data At Fenton Hill HDR Geothermal Area (Dreesen, Et...

    Open Energy Info (EERE)

    and EE-3 bore holes that have been correlated with joint set intersections identified by microseismic monitoring during the Massive Hydraulic Fracturing (MHF) Test. Correlation of...

  2. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for NASA White Sands Test Facility

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-10-01

    This report focuses on the NASA White Sands Test Facility (WSTF) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles, or PEVs) can fulfill the mission requirements.

  3. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for NASA Glenn Research Center

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2014-10-01

    The Advanced Vehicle Testing Activity’s study seeks to collect and evaluate data to validate the utilization of advanced plug-in electric vehicle (PEV) transportation. This report focuses on the NASA Glenn Research Center (GRC) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of PEVs into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively referred to as PEVs) can fulfill the mission requirements.

  4. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for National Institute of Health

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2014-11-01

    This report focuses on the National Institute of Health (NIH) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles, or PEVs) can fulfill the mission requirements.

  5. Factoriality of nodal three-dimensional varieties and connectedness of the locus of log canonical singularities

    SciTech Connect (OSTI)

    Cheltsov, I A

    2006-04-30

    Shokurov's vanishing theorem is used for the proof of the Q-factoriality of the following nodal threefolds: a complete intersection of hypersurfaces F and G in P{sup 5} of degrees n and k, n{>=}k, such that G is smooth and |Sing(F intersection G)|{<=}(n+k-2)(n-1)/5; a double cover of a smooth hypersurface F subset of P{sup 4} of degree n branched over the surface cut on F by a hypersurface G subset of P{sup 4} of degree 2r{>=}n, provided that |Sing(F intersection G)|{<=}2r+n-2)r/4.

  6. Correlation of drillhole and shaft logs. Waste Isolation Pilot Plant (WIPP) project, southeastern New Mexico

    SciTech Connect (OSTI)

    Jarolimek, L.; Timmer, M.J.; Powers, D.W.

    1983-03-01

    This report on stratigraphic correlations from drillhole and shaft data along a generally north-south section across the potential extent of underground excavations of the Waste Isolation Pilot Plant (WIPP) facility was prepared as part of the Site Validation Field Program Plan. The results provide (1) input for the report entitled ''Results of Site Validation Experiments,'' (2) input for other WIPP-related investigations, including the Design Validation Program, and (3) a framework for further underground activities at WIPP. In general, this correlation study confirmed previous findings, including: relatively high consistency of thickness and lateral continuity of all beds within the Salado Formation, especially in the host rock interval; gentle, generally south and southeastward dips/slopes of the host rock interval strata; close correspondence between stratigraphic data obtained from the present underground excavations and data derived from the previous investigative drillholes and shafts; and depositional origin of the undulations on the top of Marker Bed (MB) 139 and relatively small variation in its thickness (1.2 to 4.1 feet).

  7. E-print Network Web Log News: Research Communications for Scientists and

    Office of Scientific and Technical Information (OSTI)

    Engineers Archive Search Archive August 11, 2006 We’ve had a number of inquiries about how to best search our E-prints on Web-sites feature for individual authors. Here’s what you do. First be sure that the E-prints on Web sites box is checked then go down to the Creator/Author search box and enter the researcher’s last name followed by the first name but use no punctuation between the names. For instance if you were looking for John Brown you would enter in the Creator/Author Box Brown

  8. TMACS Test Procedure TP005: Sensor configuration, logging, and data conversion

    SciTech Connect (OSTI)

    Washburn, S.J.

    1994-08-29

    The TMACS Software Project Test Procedures translate the projects acceptance criteria into test steps. Software releases are certified when the affected Test Procedures are successfully performed and the customers authorize installation of these changes.

  9. Phone Log: Spoke to: C.V. Chung I Date/Time: 5/29/14

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

    L (CONTR) - TOT-D1TT-2 Subject: FW: Request for WECC Maps - by non-profit org Hello Kim: One of my staff members received this third-party request from WECC for a "BPA...

  10. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for United States Coast Guard Headquarters

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2015-05-01

    Federal agencies are mandated to purchase alternative fuel vehicles, increase consumption of alternative fuels, and reduce petroleum consumption. Available plug-in electric vehicles (PEVs) provide an attractive option in the selection of alternative fuel vehicles. PEVs, which consist of both battery electric vehicles (BEVs) and plug-in hybrid electric vehicles (PHEVs), have significant advantages over internal combustion engine (ICE) vehicles in terms of energy efficiency, reduced petroleum consumption, and reduced production of greenhouse gas (GHG) emissions, and they provide performance benefits with quieter, smoother operation. This study intended to evaluate the extent to which the United States Coast Guard Headquarters (USCG HQ) could convert part or all of their fleet of vehicles from petroleum-fueled vehicles to PEVs.

  11. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for NASA Stennis Space Center

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2015-05-01

    Federal agencies are mandated to purchase alternative fuel vehicles, increase consumption of alternative fuels, and reduce petroleum consumption. Available plug-in electric vehicles (PEVs) provide an attractive option in the selection of alternative fuel vehicles. PEVs, which consist of both battery electric vehicles (BEVs) and plug-in hybrid electric vehicles (PHEVs), have significant advantages over internal combustion engine (ICE) vehicles in terms of energy efficiency, reduced petroleum consumption, and reduced production of greenhouse gas (GHG) emissions, and they provide performance benefits with quieter, smoother operation. This study intended to evaluate the extent to which NASA Stennis Space Center (Stennis) could convert part or all of their fleet of vehicles from petroleum-fueled vehicles to PEVs.

  12. Laser Makes New Shade of Ultraviolet (COSMIC Log on MSNBC.com) | Jefferson

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

    Lab cosmiclog.nbcnews.com/_news/2010/12/28/5725603-laser-makes-new-shade-of-ultraviolet Submitted: Wednesday, December 29

  13. Moab Project Logs 2 Million Work Hours Without Lost-Time Injury or Illness

    Broader source: Energy.gov [DOE]

    GRAND JUNCTION, Colo. – The number 1,584 may not mean much to most people, but for the workers on EM’s Moab Uranium Mill Tailings Remedial Action Project, it represents the number of days without a work-related, lost-time injury or illness, as defined by the Occupational Safety and Health Administration.

  14. Induction logging device with a pair of mutually perpendicular bucking coils

    DOE Patents [OSTI]

    Koelle, Alfred R. (Los Alamos, NM); Landt, Jeremy A. (Los Alamos, NM)

    1981-01-01

    An instrument is disclosed for mapping vertical conductive fractures in a resistive bedrock, magnetically inducing eddy currents by a pair of vertically oriented, mutually perpendicular, coplanar coils. The eddy currents drive magnetic fields which are picked up by a second, similar pair of coils.

  15. A simple, low-cost, data logging pendulum built from a computer mouse

    SciTech Connect (OSTI)

    Gintautas, Vadas; Hubler, Alfred

    2009-01-01

    Lessons and homework problems involving a pendulum are often a big part of introductory physics classes and laboratory courses from high school to undergraduate levels. Although laboratory equipment for pendulum experiments is commercially available, it is often expensive and may not be affordable for teachers on fixed budgets, particularly in developing countries. We present a low-cost, easy-to-build rotary sensor pendulum using the existing hardware in a ball-type computer mouse. We demonstrate how this apparatus may be used to measure both the frequency and coefficient of damping of a simple physical pendulum. This easily constructed laboratory equipment makes it possible for all students to have hands-on experience with one of the most important simple physical systems.

  16. Core Log Valles Caldera No. 2A, New Mexico | Open Energy Information

    Open Energy Info (EERE)

    scientific core hole in the caldera, was cored through a faulted and brecciated sequence of intracauldron tuffs and volcaniclastic rocks to a depth of 528 m. As of November...

  17. Adsorbed sulfur-gas methods for both near-surface exploration and downhole logging

    SciTech Connect (OSTI)

    Farwell, S.O.; Barinaga, C.J.; Dolenc, M.R.; Farwell, G.H.

    1986-08-01

    The use of sulfur-containing gases in petroleum exploration is supported by (1) the idea that sulfur may play a role in petroleum genesis, (2) the corresponding existence of sulfur-containing compounds in petroleum and the potential for vertical migration of the low-molecular-weight sulfur species from these reservoirs, (3) the production of H/sub 2/S by anaerobic microorganism populations that develop in the subsurface areas overlying petroleum reservoirs due to the concomitant supply of hydrocarbon nutrients, (4) the recent discovery of near-surface accumulations of pyrite and marcasite as the source of induction potential anomalies over certain fields, and (5) the strong adsorptive affinities of sulfur gases to solid surfaces, which enhance both the concentration and localization of such sulfur-expressed anomalies. During the past 3 years, numerous near-surface soil samples and well cuttings from the Utah-Wyoming Overthrust belt have been analyzed for adsorbed sulfur-gas content by two novel analytical techniques: thermal desorption/metal foil collection/flash desorption/sulfur-selective detection (TD/MFC/FD/SSD) and thermal desorption/cryogenic preconcentration/high-resolution-gas chromatography/optimized-flame photometry (TD/CP/HRGC/OFP).

  18. Chemistry Of Thermal And Nonthermal Springs In The Vicinity Of...

    Open Energy Info (EERE)

    depths. Thermal waters at Drakesbad and in Little Hot Springs Valley have neutral-pH, low-Cl concentrations and have estimated Na-K-Ca and Na-Li geothermometer temperatures...

  19. Trace Element Geochemical Zoning in the Roosevelt Hot Springs...

    Open Energy Info (EERE)

    this distribution may be a useful solid geothermometer. Authors O.D. Christensen, J.N. Moore and R.M. Capuano Conference GRC Annual Meeting; Salt Lake City, UT; 09091980...

  20. Colorado thermal spring water geothermometry (public dataset...

    Open Energy Info (EERE)

    chemical geothermometers for Colorado thermal springs. Data citations include Barrett, J. K. and Pearl, R. H. (1976), George, R. D., Curtis, H. A., Lester, O. C., Crook, J. K.,...

  1. Charge trapping by anionic quinones electrostatically bound to a highly charged cationic quinone-viologen polymer or a cationic poly(3-viologen-thiophene)

    SciTech Connect (OSTI)

    Hable, C.T.; Crooks, R.M.; Valentine, J.R.; Giasson, R.; Wrighton, M.S. )

    1993-06-03

    Charge associated with quinone reduction is trapped at low pH in systems composed of sulfonated anthraquinones electrostatically bound to a polymer derived from a monomer consisting of a quinone unit flanked by two viologen units. Each monomer repeat unit carries 6 equiv of positive charge which can be charge compensated by monosulfonated anthraquinone to yield a quinone-viologen ratio of nearly 7:2. At low pH, electrostatic binding is persistent, and the amount of trapped charge is 90% of the theoretical maximum. Some of the electrostatically bound quinine can be replaced with Fe(CN)[sub 6][sup 3[minus

  2. Favorable Geochemistry from Springs and Wells in COlorado

    SciTech Connect (OSTI)

    Zehner, Richard E.

    2012-02-01

    Citation Information: Originator: Geothermal Development Associates, Reno Nevada Originator: United States Geological Survey (USGS) Originator: Colorado Geological Survey Publication Date: 2012 Title: Favorable Geochemistry Edition: First Publication Information: Publication Place: Reno Nevada Publisher: Geothermal Development Associates, Reno, Nevada Description: This layer contains favorable geochemistry for high-temperature geothermal systems, as interpreted by Richard "Rick" Zehner. The data is compiled from the data obtained from the USGS. The original data set combines 15,622 samples collected in the State of Colorado from several sources including 1) the original Geotherm geochemical database, 2) USGS NWIS (National Water Information System), 3) Colorado Geological Survey geothermal sample data, and 4) original samples collected by R. Zehner at various sites during the 2011 field season. These samples are also available in a separate shapefile FlintWaterSamples.shp. Data from all samples were reportedly collected using standard water sampling protocols (filtering through 0.45 micron filter, etc.) Sample information was standardized to ppm (micrograms/liter) in spreadsheet columns. Commonly-used cation and silica geothermometer temperature estimates are included. Spatial Domain: Extent: Top: 4515595.841032 m Left: 149699.513964 m Right: 757959.309388 m Bottom: 4104156.435530 m Contact Information: Contact Organization: Geothermal Development Associates, Reno, Nevada Contact Person: Richard Rick Zehner Address: 3740 Barron Way City: Reno State: NV Postal Code: 89511 Country: USA Contact Telephone: 775-737-7806 Spatial Reference Information: Coordinate System: Universal Transverse Mercator (UTM) WGS1984 Zone 13N False Easting: 500000.00000000 False Northing: 0.00000000 Central Meridian: -105.00000000 Scale Factor: 0.99960000 Latitude of Origin: 0.00000000 Linear Unit: Meter Datum: World Geodetic System 1984 (WGS 1984) Prime Meridian: Greenwich Angular Unit: Degree Digital Form: Format Name: Shape file

  3. Beam position monitoring in the 100-MHz to 500-MHz frequency range using the log-ratio technique

    SciTech Connect (OSTI)

    Wells, F.D.; Shafer, R.E.; Gilpatrick, J.D.

    1993-05-01

    A logarithmic-ratio beam position monitor (BPM) circuit has been designed that operates directly from radio frequency- signals in the 100-MHz to 500-MHz frequency range. The circuit uses four logarithmic amplifiers, a pair for each channel. One amplifier per channel receives its signal input directly from a BPM electrode while the second amplifier receives the same signal attenuated by 7-dB. The two outputs of each channel are summed together and the composite video outputs are applied to a differencing amplifier. The net result is the logarithmic-ratio position measurement derived from the two input rf signals. Paralleling the pairs of outputs from the amplifiers provides measurement accuracy that is comparable to other circuit techniques used for position measurement.

  4. Beam position monitoring in the 100-MHz to 500-MHz frequency range using the log-ratio technique

    SciTech Connect (OSTI)

    Wells, F.D.; Shafer, R.E.; Gilpatrick, J.D.

    1993-01-01

    A logarithmic-ratio beam position monitor (BPM) circuit has been designed that operates directly from radio frequency- signals in the 100-MHz to 500-MHz frequency range. The circuit uses four logarithmic amplifiers, a pair for each channel. One amplifier per channel receives its signal input directly from a BPM electrode while the second amplifier receives the same signal attenuated by 7-dB. The two outputs of each channel are summed together and the composite video outputs are applied to a differencing amplifier. The net result is the logarithmic-ratio position measurement derived from the two input rf signals. Paralleling the pairs of outputs from the amplifiers provides measurement accuracy that is comparable to other circuit techniques used for position measurement.

  5. Parallel log structured file system collective buffering to achieve a compact representation of scientific and/or dimensional data

    DOE Patents [OSTI]

    Grider, Gary A.; Poole, Stephen W.

    2015-09-01

    Collective buffering and data pattern solutions are provided for storage, retrieval, and/or analysis of data in a collective parallel processing environment. For example, a method can be provided for data storage in a collective parallel processing environment. The method comprises receiving data to be written for a plurality of collective processes within a collective parallel processing environment, extracting a data pattern for the data to be written for the plurality of collective processes, generating a representation describing the data pattern, and saving the data and the representation.

  6. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for Department of Veterans Affairs – VA Manhattan Campus

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-10-01

    This report focuses on the Department of Veterans Affairs, VA Manhattan Campus (VA- Manhattan) fleet to identify the daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support successful introduction of plug-in electric vehicles (PEVs) into the agency’s fleet. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively called PEVs) can fulfill the mission requirements.

  7. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Sleeping Bear Dunes National Lakeshore

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort

    2014-11-01

    This report focuses on the Sleeping Bear Dunes National Lakeshore (SLBE) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of plug-in electric vehicles (PEVs) into the agencies’ fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle (BEV) or plug-in hybrid electric vehicle (PHEV) (collectively plug-in electric vehicles, or PEVs) can fulfill the mission requirements.

  8. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for Department of Health and Human Services – ASPR

    SciTech Connect (OSTI)

    Schey, Steve; Francfort, Jim

    2015-06-01

    This report focuses on the Department of Health and Human Services, Assistant Secretary for Preparedness and Response fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of PEVs into the agency’s fleet. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively referred to as PEVs) can fulfill the mission requirements.

  9. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for the National Park Service: Grand Canyon National Park

    SciTech Connect (OSTI)

    Stephen Schey; Jim Francfort; Ian Nienhueser

    2014-08-01

    This report focuses on the Grand Canyon National Park (GCNP) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of PEVs into the agencies fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively PEVs) can fulfill the mission requirements.

  10. U-067:WebSVN Input Validation Flaw in getLog() Permits Cross-Site Scripting Attacks

    Broader source: Energy.gov [DOE]

    A remote user can access the target user's cookies (including authentication cookies), if any, associated with the site running the WebSVN software, access data recently submitted by the target user via web form to the site, or take actions on the site acting as the target user.

  11. Integration of geology, geostatistics, well logs and pressure data to model a heterogeneous supergiant field in Iran

    SciTech Connect (OSTI)

    Samimi, B.; Bagherpour, H.; Nioc, A.

    1995-08-01

    The geological reservoir study of the supergiant Ahwaz field significantly improved the history matching process in many aspects, particularly the development of a geostatistical model which allowed a sound basis for changes and by delivering much needed accurate estimates of grid block vertical permeabilities. The geostatistical reservoir evaluation was facilitated by using the Heresim package and litho-stratigraphic zonations for the entire field. For each of the geological zones, 3-dimensional electrolithofacies and petrophysical property distributions (realizations) were treated which captured the heterogeneities which significantly affected fluid flow. However, as this level of heterogeneity was at a significantly smaller scale than the flow simulation grid blocks, a scaling up effort was needed to derive the effective flow properties of the blocks (porosity, horizontal and vertical permeability, and water saturation). The properties relating to the static reservoir description were accurately derived by using stream tube techniques developed in-house whereas, the relative permeabilities of the grid block were derived by dynamic pseudo relative permeability techniques. The prediction of vertical and lateral communication and water encroachment was facilitated by a close integration of pressure, saturation data, geostatistical modelling and sedimentological studies of the depositional environments and paleocurrents. The nature of reservoir barriers and baffles varied both vertically and laterally in this heterogeneous reservoir. Maps showing differences in pressure between zones after years of production served as a guide to integrating the static geological studies to the dynamic behaviour of each of the 16 reservoir zones. The use of deep wells being drilled to a deeper reservoir provided data to better understand the sweep efficiency and the continuity of barriers and baffles.

  12. Observation of Radiolytic Field Alteration of the Uranyl Cation in Bicarbonate Solution

    SciTech Connect (OSTI)

    Snow, Lanee A.; McNamara, Bruce K.; Sinkov, Sergey I.; Cho, Herman M.; Friese, Judah I.

    2006-12-01

    In previous work we demonstrated that radiolysis of uranyl tris carbonate in near neutral pH to alkaline carbonate solutions, could be followed by 13C NMR. Radiolysis of the complex produced novel uranyl peroxo carbonate solution state species, whose structures depended on the pH and radiolytic dose rate. In this work, we investigate speciation of the uranyl carbonate trimer which is predominant in bicarbonate solution near pH 5.9. We observe radiolytically derived speciation to different mixed peroxy carbonate species than seen in the higher pH solutions. Auto radiolysis of uranium (VI) carbonate solutions between pH 5.9 and 7.2 is shown to alter the uranium speciation over relatively short periods of time and was followed by 13C NMR and visible spectrophotometry, using dissolved 233(UO2)3(CO3)6 6- both as the radiolysis source (D= 14.9 Gy/hr) and as a trap for the newly formed hydrogen peroxide. Direct addition of hydrogen peroxide to solutions of the uranyl-carbonate trimer is shown to reproduce the 13 C NMR signatures of the complexe(s) formed by radiolysis, but additionally a variety of new complexes are revealed. Ratios of H2O2/trimer < 1.5 produced a uranyl peroxo carbonate adduct, that is shown to be common to the radiolytically produced species. Ratios of H2O2/ trimer >1 resulted in formation of stable higher order peroxo carbonate complexes. The 13C NMR signatures and visible spectra of these complexes are described here. Rigorous characterization of the species is an ongoing effort.

  13. Microdomain Formation, Oxidation, and Cation Ordering in LaCa2Fe3O8+y

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

    Price, Patrick M.; Browning, Nigel D.; Butt, Darryl P.

    2015-03-23

    The compound LaCa2Fe3O8+y, also known as the Grenier phase, is known to undergo an order-disorder transformation (ODT) at high temperatures. Oxidation has been observed when the compound is cooled in air after the ODT. In this study, we have synthesized the Grenier compound in air using traditional solid state reactions and investigated the structure and composition before and after the ODT. Thermal analysis showed that the material undergoes an order-disorder transformation in both oxygen and argon atmospheres with dynamic, temperature dependent, oxidation upon cooling. Results from scanning transmission electron microscopy (STEM) suggest that the Grenier phase has preferential segregation ofmore » Ca and La on the two crystallographic A-sites before the ODT, but a random distribution above the ODT temperature. Furthermore, STEM images suggest the possibility that oxygen excess may exist in La-rich regions within microdomains rather than at microdomain boundaries.« less

  14. Lubricants or lubricant additives composed of ionic liquids containing ammonium cations

    DOE Patents [OSTI]

    Qu, Jun (Knoxville, TN) [Knoxville, TN; Truhan, Jr.,; John J. (Cookeville, TN) [Cookeville, TN; Dai, Sheng (Knoxville, TN) [Knoxville, TN; Luo, Huimin (Knoxville, TN) [Knoxville, TN; Blau, Peter J. (Knoxville, TN) [Knoxville, TN

    2010-07-13

    A lubricant or lubricant additive is an ionic liquid alkylammonium salt. The alkylammonium salt has the structure R.sub.xNH.sub.(4-x).sup.+,[F.sub.3C(CF.sub.2).sub.yS(O).sub.2].sub.2N.sup- .- where x is 1 to 3, R is independently C.sub.1 to C.sub.12 straight chain alkyl, branched chain alkyl, cycloalkyl, alkyl substituted cycloalkyl, cycloalkyl substituted alkyl, or, optionally, when x is greater than 1, two R groups comprise a cyclic structure including the nitrogen atom and 4 to 12 carbon atoms, and y is independently 0 to 11. The lubricant is effective for the lubrication of many surfaces including aluminum and ceramics surfaces.

  15. PHOTODISSOCIATION DYNAMICS OF METHYLAMINE CATION AND ITS RELEVANCE TO TITAN'S IONOSPHERE

    SciTech Connect (OSTI)

    Singh, Prashant Chandra; Shen Lei; Zhou Jia; Schlegel, H. Bernhard; Suits, Arthur G.

    2010-02-10

    Photodissociation of CH{sub 3}NH{sub 2} {sup +} has been studied using the DC sliced ion imaging technique and ab initio calculations in order to understand the formation of HCNH{sup +}, an important molecule in Titan's ionosphere. Our experimental and theoretical observations show that hydrogen loss from CH{sub 3}NH{sub 2} {sup +} has two channels: one giving rise to the triplet species CH{sub 3}NH{sup +}, while the other product is CH{sub 2}NH{sub 2} {sup +}. The latter then decomposes further to form HCNH{sup +}. H{sub 2} loss from CH{sub 3}NH{sub 2} {sup +} has only one channel, yielding CH{sub 2}NH{sup +}. This species further loses H to form HCNH{sup +}. The branching ratio of the H, H{sub 2}, and H+H{sub 2} loss channels is found to be 4.2:1:2.5. This is ascribed to the fact that, at these energies, the H loss has one stable triplet product channel, while most of the H{sub 2} loss product further decomposes to HCNH{sup +}.

  16. Mobility of singly-charged lanthanide cations in rare gases: Theoretical assessment of the state specificity

    SciTech Connect (OSTI)

    Buchachenko, Alexei A.; Viehland, Larry A.

    2014-03-21

    High quality, ab initio calculations are reported for the potential energy curves governing the interactions of four singly-charged lanthanide ions (Yb{sup +}, Eu{sup +}, Lu{sup +}, and Gd{sup +}) with the rare gases (RG = HeXe). Scalar-relativistic coupled cluster calculations are used for the first three S-state ions, but for Gd{sup +}({sup 10}D) it is necessary to take the interaction anisotropy into account with the help of the multi-reference technique. The potential energy curves are used to determine the ion mobility and other transport properties describing the motion of the ions through the dilute RG, both as functions of the temperature, T, in the low-field limit, and at fixed T as functions of the ratio of the electrostatic field strength to the gas number density, E/N. The calculated mobilities are in good agreement with the very limited experimental data that have become available recently. The calculations show a pronounced dependence of the transport properties on the electronic configuration of the ion, as well as a significant effect of the spin-orbit coupling on the transport properties of the Gd{sup +} ion, and predict that state-specific mobilities could be detectable in Gd{sup +}RG experiments.

  17. Effect of A-site cation size mismatch on charge ordering behavior...

    Office of Scientific and Technical Information (OSTI)

    The schematic models are proposed for the incommensurate CO modulation in the samples with size mismatch sigmasup 2le0.003. The disappearance of the CO transition in the ...

  18. New electrolyte systems for capillary zone electrophoresis of metal cations and non-ionic organic compounds

    SciTech Connect (OSTI)

    Shi, Y.

    1995-06-19

    Excellent separations of metal ions can be obtained very quickly by capillary electrophoresis provided a weak complexing reagent is incorporated into the electrolyte to alter the effective mobilities of the sample ions. Indirect photometric detection is possible by also adding a UV-sensitive ion to the electrolyte. Separations are described using phthalate, tartrate, lactate or hydroxyisobutyrate as the complexing reagent. A separation of twenty-seven metal ions was achieved in only 6 min using a lactate system. A mechanism for the separation of lanthanides is proposed for the hydroxyisobutyrate system.

  19. Methods of producing sulfate salts of cations from heteroatomic compounds and dialkyl sulfates and uses thereof

    DOE Patents [OSTI]

    Friesen, Cody A.; Wolfe, Derek; Johnson, Paul Bryan

    2015-09-29

    Methods of preparing sulfate salts of heteroatomic compounds using dialkyl sulfates as a primary reactant are disclosed. Also disclosed are methods of making ionic liquids from the sulfate salts of the heteroatomic compound, and electrochemical cells comprising the ionic liquids.

  20. Microdomain Formation, Oxidation, and Cation Ordering in LaCa2Fe3O8+y

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

    Price, Patrick M.; Browning, Nigel D.; Butt, Darryl P.

    2015-03-23

    The compound LaCa2Fe3O8+y, also known as the Grenier phase, is known to undergo an order-disorder transformation (ODT) at high temperatures. Oxidation has been observed when the compound is cooled in air after the ODT. In this study, we have synthesized the Grenier compound in air using traditional solid state reactions and investigated the structure and composition before and after the ODT. Thermal analysis showed that the material undergoes an order-disorder transformation in both oxygen and argon atmospheres with dynamic, temperature dependent, oxidation upon cooling. Results from scanning transmission electron microscopy (STEM) suggest that the Grenier phase has preferential segregation ofmore »Ca and La on the two crystallographic A-sites before the ODT, but a random distribution above the ODT temperature. Furthermore, STEM images suggest the possibility that oxygen excess may exist in La-rich regions within microdomains rather than at microdomain boundaries.« less

  1. Protein binding studies of technetium-99m-labeled phosphine and isocyanide cationic complexes

    SciTech Connect (OSTI)

    Zanelli, G.D.; Cook, N.; Lahiri, A.; Ellison, D.; Webbon, P.; Woolley, G.

    1988-01-01

    Most /sup 99m/Tc/phosphine/isocyanide complexes synthesized to date show preferential uptake by the myocardium of many animal species but not in man. A new complex has been synthesized, (/sup 99m/Tc(DEPE)2(CNR)2), +(DEPIC), where R = t - butyl isocyanide, which in three animal species images the myocardium very well, but in humans it remains primarily in the blood pool. One reason for the difference in the behavior of these complexes in different species could be the characteristics of their binding to plasma proteins. The protein binding characteristics of DEPIC and two other well-known complexes have therefore been studied. Whereas the other complexes bind nonspecifically to many proteins both in animal and human plasma, DEPIC binds almost exclusively to prealbumin in humans but nonspecifically to other proteins in the rabbit. The binding sites in human plasma appear to be those normally occupied by thyroxine on the prealbumin tetramer and these can be blocked by sodium salicylate.

  2. Organo-Lewis acid as cocatalyst for cationic homogenous metallocene Ziegler-Natta olefin polymerizations

    DOE Patents [OSTI]

    Marks, Tobin J. (Evanston, IL); Chen, You-Xian (Chicago, IL)

    2000-01-01

    The synthesis of the organo-Lewis acid perfluorobiphenylborane (PBB) and the activation of metallocenes for the formation of a variety of highly active homogeneous Ziegler-Natta metallocene olefin polymerization, copolymerization and ring-opening polymerization catalysts is described.

  3. AVTA Federal Fleet PEV Readiness Data Logging and Characterization Study for Department of Veterans Affairs. James J. Peters VA Medical Center, Bronx, NY

    SciTech Connect (OSTI)

    Schey, Stephen; Francfort, Jim

    2014-10-01

    This report focuses on the Department of Veterans Affairs, James J. Peters VA Medical Center (VA - Bronx) fleet to identify daily operational characteristics of select vehicles and report findings on vehicle and mission characterizations to support the successful introduction of PEVs into the agencies fleets. Individual observations of these selected vehicles provide the basis for recommendations related to electric vehicle adoption and whether a battery electric vehicle or plug-in hybrid electric vehicle (collectively referred to as PEVs) can fulfill the mission requirements.

  4. IMPROVED Ni I log(gf) VALUES AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect (OSTI)

    Wood, M. P.; Lawler, J. E.; Sneden, C.; Cowan, J. J. E-mail: jelawler@wisc.edu E-mail: cowan@nhn.ou.edu

    2014-04-01

    Atomic transition probability measurements for 371 Ni I lines in the UV through near-IR are reported. Branching fractions from data recorded using a Fourier transform spectrometer and a new echelle spectrograph are combined with published radiative lifetimes to determine these transition probabilities. Generally good agreement is found in comparisons to previously reported Ni I transition probability measurements. Use of the new echelle spectrograph, independent radiometric calibration methods, and independent data analysis routines enable a reduction of systematic errors and overall improvement in transition probability uncertainty over previous measurements. The new Ni I data are applied to high-resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to derive new, more accurate Ni abundances. Lines covering a wide range of wavelength and excitation potential are used to search for non-LTE effects.

  5. IMPROVED Ti II log(gf) VALUES AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect (OSTI)

    Wood, M. P.; Lawler, J. E.; Sneden, C.; Cowan, J. J. E-mail: jelawler@wisc.edu E-mail: cowan@nhn.ou.edu

    2013-10-01

    Atomic transition probability measurements for 364 lines of Ti II in the UV through near-IR are reported. Branching fractions from data recorded using a Fourier transform spectrometer (FTS) and a new echelle spectrometer are combined with published radiative lifetimes to determine these transition probabilities. The new results are in generally good agreement with previously reported FTS measurements. Use of the new echelle spectrometer, independent radiometric calibration methods, and independent data analysis routines enables a reduction of systematic errors and overall improvement in transition probability accuracy over previous measurements. The new Ti II data are applied to high-resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to derive new, more accurate Ti abundances. Lines covering a range of wavelength and excitation potential are used to search for non-LTE effects. The Ti abundances derived using Ti II for these two stars match those derived using Ti I and support the relative Ti/Fe abundance ratio versus metallicity seen in previous studies.

  6. Methane Hydrate Field Program. Development of a Scientific Plan for a Methane Hydrate-Focused Marine Drilling, Logging and Coring Program

    SciTech Connect (OSTI)

    Collett, Tim; Bahk, Jang-Jun; Frye, Matt; Goldberg, Dave; Husebo, Jarle; Koh, Carolyn; Malone, Mitch; Shipp, Craig; Torres, Marta; Myers, Greg; Divins, David; Morell, Margo

    2013-12-31

    This topical report represents a pathway toward better understanding of the impact of marine methane hydrates on safety and seafloor stability and future collection of data that can be used by scientists, engineers, managers and planners to study climate change and to assess the feasibility of marine methane hydrate as a potential future energy resource. Our understanding of the occurrence, distribution and characteristics of marine methane hydrates is incomplete; therefore, research must continue to expand if methane hydrates are to be used as a future energy source. Exploring basins with methane hydrates has been occurring for over 30 years, but these efforts have been episodic in nature. To further our understanding, these efforts must be more regular and employ new techniques to capture more data. This plan identifies incomplete areas of methane hydrate research and offers solutions by systematically reviewing known methane hydrate “Science Challenges” and linking them with “Technical Challenges” and potential field program locations.

  7. Next-to-leading log resummation of scalar and pseudoscalar Higgs boson differential cross sections at the CERN LHC and Fermilab Tevatron

    SciTech Connect (OSTI)

    Field, B.

    2004-09-01

    The region of small transverse momentum in qq- and gg-initiated processes must be studied in the framework of resummation to account for the large, logarithmically enhanced contributions to physical observables. In this paper, we will calculate the fixed order next-to-leading order perturbative total and differential cross sections for both a Standard Model scalar Higgs boson and the Minimal Supersymmetric Standard Model's pseudoscalar Higgs boson in the Heavy Quark Effective Theory where the mass of the top quark is taken to be infinite. Resummation coefficients B{sub g}{sup (2)},C{sub gg}{sup (2)} for the total cross-section resummation for the pseudoscalar case are given, as well as C{sub gg}{sup (1)} for the differential cross section.

  8. GEOPHYSICAL WELL LOG/CORE DESCRIPTIONS, CHEROKEE AND BUG FIELDS, SAN JUAN COUNTY, UTAH, AND LITTLE UTE AND SLEEPING UTE FIELDS, MONTEZUMA COUNTY, COLORADO

    SciTech Connect (OSTI)

    Thomas C. Chidsey Jr; David E. Eby; Laura L. Wray

    2003-12-01

    Over 400 million barrels (64 million m{sup 3}) of oil have been produced from the shallow-shelf carbonate reservoirs in the Pennsylvanian (Desmoinesian) Paradox Formation in the Paradox Basin, Utah and Colorado. With the exception of the giant Greater Aneth field, the other 100 plus oil fields in the basin typically contain 2 to 10 million barrels (0.3-1.6 million m{sup 3}) of original oil in place. Most of these fields are characterized by high initial production rates followed by a very short productive life (primary), and hence premature abandonment. Only 15 to 25 percent of the original oil in place is recoverable during primary production from conventional vertical wells. An extensive and successful horizontal drilling program has been conducted in the giant Greater Aneth field. However, to date, only two horizontal wells have been drilled in small Ismay and Desert Creek fields. The results from these wells were disappointing due to poor understanding of the carbonate facies and diagenetic fabrics that create reservoir heterogeneity. These small fields, and similar fields in the basin, are at high risk of premature abandonment. At least 200 million barrels (31.8 million m{sup 3}) of oil will be left behind in these small fields because current development practices leave compartments of the heterogeneous reservoirs undrained. Through proper geological evaluation of the reservoirs, production may be increased by 20 to 50 percent through the drilling of low-cost single or multilateral horizontal legs from existing vertical development wells. In addition, horizontal drilling from existing wells minimizes surface disturbances and costs for field development, particularly in the environmentally sensitive areas of southeastern Utah and southwestern Colorado.

  9. NIF Calendar

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

    Calendar SSP* - Stockpile Stewardship Change Log

  10. The radiation induced chemistry of uranyl cation in aqueous carbonate bicarbonate solutions as followed by NMR spectroscopy

    SciTech Connect (OSTI)

    McNamara, Bruce K.; Snow, Lanee A.; Soderquist, Chuck Z.; Sinkov, Sergei I.; Cho, Herman M.; Friese, Judah I.

    2006-05-01

    Alpha radiation induced formation of hydrogen peroxide in carbonate ?bicarbonate media was followed by 13C NMR using dissolved [233UO2(13CO3)3]4- as the alpha source (Dalpha= 12.1 Gy/hr). Between the pH region between 5.9 and 11.6 hydrogen peroxide causes a varied speciation of the uranyl carbonates that is a function of the uranium, carbonate and the hydrogen peroxide concentrations. It is shown that the speciation of the peroxy carbonates (or other species) formed in solution by titration with hydrogen peroxide are common to those formed by hydrogen peroxide generated by radiolysis. The radiolysis experiment was carried out above pH = 9.96 to minimize the loss of 13CO2 over a 2800 hr period. Radiolytic generation of hydrogen peroxide was followed by formation of a uranyl peroxy carbonate complex and complex formation accelerated for about 1200 hours. Complex formation was observed to terminate at a concentration between 1x10-4 and 5x10-4 M. It is assumed that either a steady state H2O2 production rate was established in solution or that some limiting feature of the experiment was responsible for slowing the yield of product.

  11. Molecular dynamics simulations and thermochemistry of reactive ion etching of silicon by chlorine, chlorine dimer, bromine, and bromine dimer cations

    SciTech Connect (OSTI)

    Valone, S.M.; Hanson, D.E.; Kress, J.D.

    1998-05-08

    Simulations of Cl plasma etch of Si surfaces with MD techniques agree reasonably well with the available experimental information on yields and surface morphologies. This information has been supplied to a Monte Carlo etch profile resulting in substantial agreement with comparable inputs provided through controlled experiments. To the extent that more recent measurements of etch rates are more reliable than older ones, preliminary MD simulations using bond-order corrections to the atomic interactions between neighboring Si atoms on the surface improves agreement with experiment through an increase in etch rate and improved agreement with XPS measurements of surface stoichiometry. Thermochemical and geometric analysis of small Si-Br molecules is consistent with the current notions of the effects of including brominated species in etchant gases.

  12. Water-Chemistry Evolution and Modeling of Radionuclide Sorption and Cation Exchange during Inundation of Frenchman Flat Playa

    SciTech Connect (OSTI)

    Hershey, Ronald; Cablk, Mary; LeFebre, Karen; Fenstermaker, Lynn; Decker, David

    2013-08-01

    Atmospheric tests and other experiments with nuclear materials were conducted on the Frenchman Flat playa at the Nevada National Security Site, Nye County, Nevada; residual radionuclides are known to exist in Frenchman Flat playa soils. Although the playa is typically dry, extended periods of winter precipitation or large single-event rainstorms can inundate the playa. When Frenchman Flat playa is inundated, residual radionuclides on the typically dry playa surface may become submerged, allowing water-soil interactions that could provide a mechanism for transport of radionuclides away from known areas of contamination. The potential for radionuclide transport by occasional inundation of the Frenchman Flat playa was examined using geographic information systems and satellite imagery to delineate the timing and areal extent of inundation; collecting water samples during inundation and analyzing them for chemical and isotopic content; characterizing suspended/precipitated materials and archived soil samples; modeling water-soil geochemical reactions; and modeling the mobility of select radionuclides under aqueous conditions. The physical transport of radionuclides by water was not evaluated in this study. Frenchman Flat playa was inundated with precipitation during two consecutive winters in 2009-2010 and 2010-2011. Inundation allowed for collection of multiple water samples through time as the areal extent of inundation changed and ultimately receded. During these two winters, precipitation records from a weather station in Frenchman Flat (Well 5b) provided information that was used in combination with geographic information systems, Landsat imagery, and image processing techniques to identify and quantify the areal extent of inundation. After inundation, water on the playa disappeared quickly, for example, between January 25, 2011 and February 10, 2011, a period of 16 days, 92 percent of the areal extent of inundation receded (2,062,800 m2). Water sampling provided valuable information about chemical processes occurring during inundation as the water disappeared. Important observations from water-chemistry analyses included: 1) total dissolved solids (TDS) and chloride ion (Cl-) concentrations were very low (TDS: < 200 mg/L and Cl-: < 3.0 mg/L, respectively) for all water samples regardless of time or areal extent; 2) all dissolved constituents were at concentrations well below what might be expected for evaporating shallow surface waters on a playa, even when 98 to 99 percent of the water had disappeared; 3) the amount of evaporation for the last water samples collected at the end of inundation, estimated with the stable isotopic ratios ?2H or ?18O, was approximately 60 percent; and 4) water samples analyzed by gamma spectroscopy did not show any man-made radioactivity; however, the short scanning time (24 hours) and relative chemical diluteness of the water samples (TDS ranged between 39 and 190 mg/L) may have contributed to none being detected. Additionally, any low-energy beta emitting radionuclides would not have been detected by gamma spectroscopy. From these observations, it was apparent that a significant portion of water on the playa did not evaporate, but rather infiltrated into the subsurface (approximately 40 percent). Consistent with this water chemistry-based conclusion is particle-size analysis of two archived Frenchman Flat playa soils samples, which showed low clay content in the near surface soil that also suggested infiltration. Infiltration of water from the playa during inundation into the subsurface does not necessarily imply that groundwater recharge is occurring, but it does provide a mechanism for moving residual radionuclides downward into the subsurface of Frenchman Flat playa. Water-mineral geochemical reactions were modeled so that changes in the water chemistry could be identified and the extent of reactions quantified. Geochemical modeling showed that evaporation; equilibrium with atmospheric carbon dioxide and calcite; dissolution of sodium chloride, gypsum, and composite volcanic g

  13. Low-temperature geothermal assessment of the Santa Clara and Virgin River Valleys, Washington County, Utah

    SciTech Connect (OSTI)

    Budding, K.E.; Sommer, S.N.

    1986-01-01

    Exploration techniques included the following: (1) a temperature survey of springs, (2) chemical analyses and calculated geothermometer temperatures of water samples collected from selected springs and wells, (3) chemical analyses and calculated geothermometer temperatures of spring and well water samples in the literature, (4) thermal gradients measured in accessible wells, and (5) geology. The highest water temperature recorded in the St. George basin is 42/sup 0/C at Pah Tempe Hot Springs. Additional spring temperatures higher than 20/sup 0/C are at Veyo Hot Spring, Washington hot pot, and Green Spring. The warmest well water in the study area is 40/sup 0/C in Middleton Wash. Additional warm well water (higher than 24.5/sup 0/C) is present north of St. George, north of Washington, southeast of St. George, and in Dameron Valley. The majority of the Na-K-Ca calculated reservoir temperatures range between 30/sup 0/ and 50/sup 0/C. Anomalous geothermometer temperatures were calculated for water from Pah Tempe and a number of locations in St. George and vicinity. In addition to the known thermal areas of Pah Tempe and Veyo Hot Spring, an area north of Washington and St. George is delineated in this study to have possible low-temperature geothermal potential.

  14. Cation-poor complex metallic alloys in Ba(Eu)AuAl(Ga) systems: Identifying the keys that control structural arrangements and atom distributions at the atomic level

    SciTech Connect (OSTI)

    Smetana, Volodymyr; Steinberg, Simon; Mudryk, Yaroslav; Pecharsky, Vitalij; Miller, Gordon J.; Mudring, Anja -Verena

    2015-10-19

    Four complex intermetallic compounds BaAu6xGa6y (x = 1, y = 0.9) (I), BaAu6xAl6y (x = 0.9, y = 0.6) (II), EuAu6.2Ga5.8 (III), and EuAu6.1Al5.9 (IV) have been synthesized, and their structures and homogeneity ranges have been determined by single crystal and powder X-ray diffraction. Whereas I and II originate from the NaZn13-type structure (cF104112, Fm3C), III (tP52, P4/nbm) is derived from the tetragonal Ce2Ni17Si9-type, and IV (oP104, Pbcm) crystallizes in a new orthorhombic structure type. Both I and II feature formally anionic networks with completely mixed site occupation by Au and triel (Tr = Al, Ga) atoms, while a successive decrease of local symmetry from the parental structures of I and II to III and, ultimately, to IV correlates with increasing separation of Au and Tr on individual crystallographic sites. Density functional theory-based calculations were employed to determine the crystallographic site preferences of Au and the respective triel element to elucidate reasons for the atom distribution (coloring scheme). Chemical bonding analyses for two different EuAu6Tr6 models reveal maximization of the number of heteroatomic AuTr bonds as the driving force for atom organization. The Fermi levels fall in broad pseudogaps for both models allowing some electronic flexibility. Spin-polarized band structure calculations on the EuAu6Tr6 models hint to singlet ground states for europium and long-range magnetic coupling for both EuAu6.2Ga5.8 (III) and EuAu6.1Al5.9 (IV). This is substantiated by experimental evidence because both compounds show nearly identical magnetic behavior with ferromagnetic transitions at TC = 6 K and net magnetic moments of 7.35 ?B/f.u. at 2 K. As a result, the effective moments of 8.3 ?B/f.u., determined from CurieWeiss fits, point to divalent oxidation states for europium in both III and IV.

  15. Unraveling the Voltage-Fade Mechanism in High-Energy-Density Lithium-Ion Batteries: Origin of the Tetrahedral Cations for Spinel Conversion

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

    Mohanty, Debasish; Li, Jianlin; Abraham, Daniel P.; Huq, Ashfia; Payzant, E. Andrew; Wood, David L.; Daniel, Claus

    2014-09-30

    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 cationmore » 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.« less

  16. Microdomain Formation, Oxidation, and Cation Ordering in LaCa2Fe3O8+y

    SciTech Connect (OSTI)

    Price, Patrick M.; Browning, Nigel D.; Butt, Darryl P.

    2015-03-23

    The compound LaCa2Fe3O8+y, also known as the Grenier phase, is known to undergo an order-disorder transformation (ODT) at high temperatures. Oxidation has been observed when the compound is cooled in air after the ODT. In this study, we have synthesized the Grenier compound in air using traditional solid state reactions and investigated the structure and composition before and after the ODT. Thermal analysis showed that the material undergoes an order-disorder transformation in both oxygen and argon atmospheres with dynamic, temperature dependent, oxidation upon cooling. Results from scanning transmission electron microscopy (STEM) suggest that the Grenier phase has preferential segregation of Ca and La on the two crystallographic A-sites before the ODT, but a random distribution above the ODT temperature. Furthermore, STEM images suggest the possibility that oxygen excess may exist in La-rich regions within microdomains rather than at microdomain boundaries.

  17. The structural diversity of ABS{sub 3} compounds with d{sup 0} electronic configuration for the B-cation

    SciTech Connect (OSTI)

    Brehm, John A. Bennett, Joseph W.; Schoenberg, Michael Rutenberg; Grinberg, Ilya; Rappe, Andrew M.

    2014-06-14

    We use first-principles density functional theory within the local density approximation to ascertain the ground state structure of real and theoretical compounds with the formula ABS{sub 3} (A = K, Rb, Cs, Ca, Sr, Ba, Tl, Sn, Pb, and Bi; and B = Sc, Y, Ti, Zr, V, and Nb) under the constraint that B must have a d{sup 0} electronic configuration. Our findings indicate that none of these AB combinations prefer a perovskite ground state with corner-sharing BS{sub 6} octahedra, but that they prefer phases with either edge- or face-sharing motifs. Further, a simple two-dimensional structure field map created from A and B ionic radii provides a neat demarcation between combinations preferring face-sharing versus edge-sharing phases for most of these combinations. We then show that by modifying the common Goldschmidt tolerance factor with a multiplicative term based on the electronegativity difference between A and S, the demarcation between predicted edge-sharing and face-sharing ground state phases is enhanced. We also demonstrate that, by calculating the free energy contribution of phonons, some of these compounds may assume multiple phases as synthesis temperatures are altered, or as ambient temperatures rise or fall.

  18. Structure of a CutA1 divalent-cation tolerance protein from Cryptosporidium parvum, the protozoal parasite responsible for cryptosporidiosis

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

    Buchko, Garry W.; Robinson, Howard; Abendroth, Jan; Clitfon, Mathew C.; Zhang, Yanfeng; Hewitt, Stephen N.; Staker, Bart L.; Van Voorhis, Wesley C.; Mylera, Peter J.

    2015-05-01

    Cryptosporidiosis is an infectious disease caused by protozoan parasites from the Cryptosporidium species. Infection is associated with mild to severe diarrhea that usually resolves spontaneously in healthy human adults, but may lead to severe complications in young children and in immunocompromised patients. The genome of Cryptosporidium parvum contains a gene, CUTA_CRYPI, that may play a role in regulating the intracellular concentration of copper, a toxic element if left unchecked. Here we report the crystal structure for this CutA1 protein, Cp-CutA1, is reported at 2.0 Å resolution (4E98). As observed for other CutA1 structures, the 117-residue protein is a trimer withmore » a core ferrodoxin-like fold. Circular dichroism spectroscopy shows little unfolding of Cp-CutA1 up to 353 K. This robustness is corroborated by ¹H-¹⁵N HSQC spectra at 333 K that is characteristic of a folded protein, suggesting NMR spectroscopy may be a useful tool to further probe the function of the CutA1 proteins. While robust, Cp-CutA1 is not as stable as the homologous protein from a hyperthermophile, perhaps due to a wide β-bulgein β2 that protrudes P48 and S49 outside the β-sheet.« less

  19. Distribution of cations in wurtzitic InxGa1-xN and InxAl1-xN alloys: Consequences for energetics and quasiparticle electronic structures

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

    de Carvalho, Luiz Cláudio; Schleife, André; Furthmüller, Jürgen; Bechstedt, Friedhelm

    2012-03-27

    The ternary, isostructural, wurtzite-derived group-III mononitride alloys InxGa1-xN andInxAl1-xN are reexamined within a cluster expansion approach. Using density functional theory together with the AM05 exchange-correlation functional, the total energies and the optimized atomic geometries of all 22 clusters classes of the cluster expansion for each material system are calculated. The computationally demanding calculation of the corresponding quasiparticle electronic structures is achieved for all cluster classes by means of a recently developed scheme to approximately solve the quasiparticle equation based on the HSE06 hybrid functional and the G₀W₀ approach. Using two different alloy statistics, the configurational averages for the lattice parameters,more » the mixing enthalpies, and the bulk moduli are calculated. The composition-dependent electronic structures of the alloys are discussed based on configurationally averaged electronic states, band gaps, and densities of states. Ordered cluster arrangements are found to be energetically rather unfavorable, however, they possess the smallest energy gaps and, hence, contribute to light emission. The influence of the alloy statistics on the composition dependencies and the corresponding bowing parameters of the band gaps is found to be significant and should, hence, lead to different signatures in the optical-absorption or -emission spectra.« less

  20. Syntheses and characterization of energetic compounds constructed from alkaline earth metal cations (Sr and Ba) and 1,2-bis(tetrazol-5-yl)ethane

    SciTech Connect (OSTI)

    Xia Zhengqiang; Chen Sanping; Wei Qing; Qiao Chengfang

    2011-07-15

    Two new energetic compounds, [M(BTE)(H{sub 2}O){sub 5}]{sub n} (M=Sr(1), Ba(2)) [H{sub 2}BTE=1,2-bis(tetrazol-5-yl)ethane], have been hydrothermally synthesized and structurally characterized. Single-crystal X-ray diffraction analyses reveal that they are isomorphous and exhibit 2D (4,4) net framework, generated by 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs linked up by two independent binding modes of H{sub 2}BTE, and the resulting 2D structure is interconnected by hydrogen-bond and strong face to face {pi}-{pi} stacking interactions between two tetrazole rings to lead to a 3D supramolecular architecture. DSC measurements show that they have significant catalytic effects on thermal decomposition of ammonium perchlorate. Moreover, the photoluminescence properties, thermogravimetric analyses, and flame colors of the as-prepared compounds are also investigated in this paper. - Graphical abstract: Two novel 2D isomorphous alkaline earth metal complexes were assembled by 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs and two independent binding modes of H{sub 2}BTE ligands, and the catalytic performances toward thermal decomposition of ammonium perchlorate and photoluminescent properties of them were investigated. Highlights: > Two novel alkaline earth energetic coordination polymers have been prepared.{yields} Both structures are layered based on 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs and two distinct H{sub 2}BTE coordination modes.{yields} The dehydrated products of the compounds possess good thermostability and significant catalytic effects on thermal decomposition of AP.

  1. Cationic (V, Y)-codoped TiO{sub 2} with enhanced visible light induced photocatalytic activity: A combined experimental and theoretical study

    SciTech Connect (OSTI)

    Khan, Matiullah E-mail: wbcao@ustb.edu.cn; Cao, Wenbin E-mail: wbcao@ustb.edu.cn

    2013-11-14

    To employ TiO{sub 2} as an efficient photocatalyst, high reactivity under visible light and improved separation of photoexcited carriers are required. An effective co-doping approach is applied to modify the photocatalytic properties of TiO{sub 2} by doping vanadium (transition metal) and yttrium (rare earth element). V and/or Y codoped TiO{sub 2} was prepared using hydrothermal method without any post calcination for crystallization. Based on density functional theory, compensated and noncompensated V, Y codoped TiO{sub 2} models were constructed and their structural, electronic, and optical properties were calculated. Through combined experimental characterization and theoretical modeling, V, Y codoped TiO{sub 2} exhibited high absorption coefficient with enhanced visible light absorption. All the prepared samples showed pure anatase phase and spherical morphology with uniform particle distribution. Electronic band structure demonstrates that V, Y codoping drastically reduced the band gap of TiO{sub 2}. It is found that both the doped V and Y exist in the form of substitutional point defects replacing Ti atom in the lattice. The photocatalytic activity, evaluated by the degradation of methyl orange, displays that the codoped TiO{sub 2} sample exhibits enhanced visible light photocatalytic activity. The synergistic effects of V and Y drastically improved the Brunauer-Emmett-Teller specific surface area, visible light absorption, and electron-hole pair's separation leading to the enhanced visible light catalytic activity.

  2. Cyclization of N-alkyl azinium cations with bifunctional nucleophiles. 21. Regioisomeric 1,3,4-thiadiazino(5,6-b)quinoxalines

    SciTech Connect (OSTI)

    Baklykov, V.G.; Charushin, V.N.; Chupakhin, O.N.; Drozd, V.N.

    1987-10-01

    Thiobenzyhydrazides undergo cyclization with N-alkyl-quinoxalinium salts to give 5-alkyl-substituted 1,4,4a,5,10,10a-hexahydro-1,3,4-thiadiazino(5,6-b)quinoxalines, which undergo isomerization to 10-alkyl-substituted thiadiazinoquinoxalines when they are heated in ethanol or in the presence of acids. The IR spectra of suspensions of the compounds in mineral oil were recorded with a UR-20 spectrometer. The PMR spectra of solutions in d/sub 6/-DMSO were recorded with Perkin-Elmer R-12B (60 MHz) and Brucker WP-80 (80 MHz) spectrometers with tetramethylsilane (TMS) and hexamethyldisiloxane (HMDS) as the internal standards. The /sup 13/C NMR spectra of solutions in d/sub 6/-DMSO were recorded with Brucker WH-90 (22.62 MHz) and Varian FT-80A (20.13 MHz) spectrometers. The chemical shifts were measured with respect to the signal of the solvent (d/sub 6/-DMSO, 39.6 ppm).

  3. Synthesis of metal-metal oxide catalysts and electrocatalysts using a metal cation adsorption/reduction and adatom replacement by more noble ones

    DOE Patents [OSTI]

    Adzic, Radoslav; Vukmirovic, Miomir; Sasaki, Kotaro

    2010-04-27

    The invention relates to platinum-metal oxide composite particles and their use as electrocatalysts in oxygen-reducing cathodes and fuel cells. The invention particularly relates to methods for preventing the oxidation of the platinum electrocatalyst in the cathodes of fuel cells by use of these platinum-metal oxide composite particles. The invention additionally relates to methods for producing electrical energy by supplying such a fuel cell with an oxidant, such as oxygen, and a fuel source, such as hydrogen. The invention also relates to methods of making the metal-metal oxide composites.

  4. Structure of a CutA1 divalent-cation tolerance protein from Cryptosporidium parvum, the protozoal parasite responsible for cryptosporidiosis

    SciTech Connect (OSTI)

    Buchko, Garry W.; Robinson, Howard; Abendroth, Jan; Clitfon, Mathew C.; Zhang, Yanfeng; Hewitt, Stephen N.; Staker, Bart L.; Van Voorhis, Wesley C.; Mylera, Peter J.

    2015-05-01

    Cryptosporidiosis is an infectious disease caused by protozoan parasites from the Cryptosporidium species. Infection is associated with mild to severe diarrhea that usually resolves spontaneously in healthy human adults, but may lead to severe complications in young children and in immunocompromised patients. The genome of Cryptosporidium parvum contains a gene, CUTA_CRYPI, that may play a role in regulating the intracellular concentration of copper, a toxic element if left unchecked. Here we report the crystal structure for this CutA1 protein, Cp-CutA1, is reported at 2.0 resolution (4E98). As observed for other CutA1 structures, the 117-residue protein is a trimer with a core ferrodoxin-like fold. Circular dichroism spectroscopy shows little unfolding of Cp-CutA1 up to 353 K. This robustness is corroborated by H-?N HSQC spectra at 333 K that is characteristic of a folded protein, suggesting NMR spectroscopy may be a useful tool to further probe the function of the CutA1 proteins. While robust, Cp-CutA1 is not as stable as the homologous protein from a hyperthermophile, perhaps due to a wide ?-bulgein ?2 that protrudes P48 and S49 outside the ?-sheet.

  5. Thermodynamic and structural description of europium complexation in 1-octanol solution

    SciTech Connect (OSTI)

    Charbonnel, M.C.; Vu, T.H.; Boubals, N.; Couston, L.

    2008-07-01

    Polydentate N-bearing ligands such as bis-triazinyl-pyridines (BTPS) are interesting extractants for actinide(III)/lanthanide(III) separation. A description of europium complexation in 1-octanol solutions was undertaken to enhance the knowledge of the extraction mechanisms. Time- Resolved Laser-Induced Fluorescence (TRLIF) spectroscopy allows determination of the first solvation shell for europium(III) nitrate, chloride, and perchlorate with different amounts of water. Europium nitrate complexation by iPr-BTP was then studied by TRLIF and microcalorimetry; the stability constant related to the formation of Eu(BTP){sub 3}{sup 3+} is similar by both techniques (log {beta}{sub 3} = 11.3 {+-} 0.5). The difference of solvation of the cation seems to have an influence on the thermodynamic properties related to the complexation with organic ligands. (authors)

  6. New and Improved Data Logging and Collection System for Atmospheric Radiation Measurement Climate Research Facility, Tropical Western Pacific, and North Slope of Alaska Sky Radiation, Ground Radiation, and MET Systems

    SciTech Connect (OSTI)

    Ritsche, M.T.; Holdridge, D.J.; Pearson, R.

    2005-03-18

    Aging systems and technological advances mandated changes to the data collection systems at the Atmospheric Radiation Measurement (ARM) Program's Tropical Western Pacific (TWP) and North Slope of Alaska (NSA) ARM Climate Research Facility (ACRF) sites. Key reasons for the upgrade include the following: achieve consistency across all ACRF sites for easy data use and operational maintenance; minimize the need for a single mentor requiring specialized knowledge and training; provide local access to real-time data for operational support, intensive operational period (IOP) support, and public relations; eliminate problems with physical packaging (condensation, connectors, etc.); and increase flexibility in programming and control of the data logger.

  7. IMPROVED log(gf) VALUES FOR LINES OF Ti I AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937 (ACCURATE TRANSITION PROBABILITIES FOR Ti I)

    SciTech Connect (OSTI)

    Lawler, J. E.; Guzman, A.; Wood, M. P.; Sneden, C.; Cowan, J. J. E-mail: adrianaguzman2014@u.northwestern.edu E-mail: chris@verdi.as.utexas.edu

    2013-04-01

    New atomic transition probability measurements for 948 lines of Ti I are reported. Branching fractions from Fourier transform spectra and from spectra recorded using a 3 m echelle spectrometer are combined with published radiative lifetimes from laser-induced fluorescence measurements to determine these transition probabilities. Generally good agreement is found in comparisons to the NIST Atomic Spectra Database. The new Ti I data are applied to re-determine the Ti abundance in the photospheres of the Sun and metal-poor star HD 84937 using many lines covering a range of wavelength and excitation potential to explore possible non-local thermal equilibrium effects. The variation of relative Ti/Fe abundance with metallicity in metal-poor stars observed in earlier studies is supported in this study.

  8. Petrophysical evaluation of subterranean formations

    DOE Patents [OSTI]

    Klein, James D; Schoderbek, David A; Mailloux, Jason M

    2013-05-28

    Methods and systems are provided for evaluating petrophysical properties of subterranean formations and comprehensively evaluating hydrate presence through a combination of computer-implemented log modeling and analysis. Certain embodiments include the steps of running a number of logging tools in a wellbore to obtain a variety of wellbore data and logs, and evaluating and modeling the log data to ascertain various petrophysical properties. Examples of suitable logging techniques that may be used in combination with the present invention include, but are not limited to, sonic logs, electrical resistivity logs, gamma ray logs, neutron porosity logs, density logs, NRM logs, or any combination or subset thereof.

  9. ATR NSUF

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  10. ADVANCES IN HYDROGEOCHEMICAL INDICATORS FOR THE DISCOVERY OF NEW GEOTHERMAL RESOURCES IN THE GREAT BASIN, USA

    SciTech Connect (OSTI)

    Simmons, Stuart F; Spycher, Nicolas; Sonnenthal, Eric; Dobson, Patrick

    2013-05-20

    This report summarizes the results of Phase I work for a go/no go decision on Phase II funding. In the first objective, we assessed the extent to which fluid-mineral equilibria controlled deep water compositions in geothermal systems across the Great Basin. Six systems were evaluated: Beowawe; Desert Peak; Dixie Valley; Mammoth; Raft River; Roosevelt. These represent a geographic spread of geothermal resources, in different geological settings and with a wide range of fluid compositions. The results were used for calibration/reformulation of chemical geothermometers that reflect the reservoir temperatures in producing reservoirs. In the second objective, we developed a reactive -transport model of the Desert Peak hydrothermal system to evaluate the processes that affect reservoir fluid geochemistry and its effect on solute geothermometry. This included testing geothermometry on reacted thermal water originating from different lithologies and from near-surface locations where the temperature is known from the simulation. The integrated multi-component geothermometer (GeoT, relying on computed mineral saturation indices) was tested against the model results and also on the systems studied in the first objective.

  11. TITLE AUTHORS SUBJECT SUBJECT RELATED DESCRIPTION PUBLISHER AVAILABILI...

    Office of Scientific and Technical Information (OSTI)

    We study the populations of X ray sources in the Milky Way in the keV band using a deep survey with the BAT instrument aboard the Swift observatory We present the logN logS...

  12. Infrared spectroscopy of Sc{sup +}(H{sub 2}O) and Sc{sup 2+}(H{sub 2}O) via argon complex predissociation: The charge dependence of cation hydration

    SciTech Connect (OSTI)

    Carnegie, P. D.; Bandyopadhyay, B.; Duncan, M. A.

    2011-01-07

    Singly and doubly charged scandium-water ion-molecule complexes are produced in a supersonic molecular beam by laser vaporization. These ions are mass analyzed and size selected in a specially designed reflectron time-of-flight spectrometer. To probe their structure, vibrational spectroscopy is measured for these complexes in the O-H stretching region using infrared laser photodissociation and the method of rare gas atom predissociation, also known as ''tagging.'' The O-H stretches in these systems are shifted to lower frequency than those for the free water molecule, and the intensity of the symmetric stretch band is strongly enhanced relative to the asymmetric stretch. These effects are more prominent for the doubly charged ions. Partially resolved rotational structure for the Sc{sup +}(H{sub 2}O)Ar complex shows that the H-O-H bond angle is larger than it is in the free water molecule. Fragmentation and spectral patterns indicate that the coordination of the Sc{sup 2+} ion is filled with six ligands (one water and five argons).

  13. K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9}: The first osmium perovskites containing alkali cations at the 'A' site

    SciTech Connect (OSTI)

    Mogare, Kailash M.; Klein, Wilhelm; Jansen, Martin

    2012-07-15

    K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9} were obtained from solid-state reactions of potassium superoxide, sodium peroxide and osmium metal at elevated oxygen pressures. K{sub 2}NaOsO{sub 5.5} crystallizes as an oxygen-deficient cubic double perovskite in space group Fm3{sup Macron }m with a=8.4184(5) A and contains isolated OsO{sub 6} octahedra. K{sub 3}NaOs{sub 2}O{sub 9} crystallizes hexagonally in P6{sub 3}/mmc with a=5.9998(4) A and c=14.3053(14) A. K{sub 3}NaOs{sub 2}O{sub 9} consists of face sharing Os{sub 2}O{sub 9} pairs of octahedra. According to magnetic measurements K{sub 2}NaOsO{sub 5.5} is diamagnetic, whereas K{sub 3}NaOs{sub 2}O{sub 9} displays strong antiferromagnetic coupling (T{sub N}=140 K), indicating enhanced magnetic interactions within the octahedral pair. - Graphical abstract: High oxidation states of Os, obtained by high oxygen pressure synthesis, are accommodated in double and triple perovskite matrices. K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions. Highlights: Black-Right-Pointing-Pointer New osmates containing highly oxidized Os were obtained by high O{sub 2} pressure synthesis. Black-Right-Pointing-Pointer High oxidation states of Os are accommodated in double and triple perovskite matrices. Black-Right-Pointing-Pointer Both compounds represent the first Os perovskites with an alkali metal at the A site. Black-Right-Pointing-Pointer K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions within the octahedral pair.

  14. Cation-poor complex metallic alloys in Ba(Eu)–Au–Al(Ga) systems: Identifying the keys that control structural arrangements and atom distributions at the atomic level

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

    Smetana, Volodymyr; Steinberg, Simon; Mudryk, Yaroslav; Pecharsky, Vitalij; Miller, Gordon J.; Mudring, Anja -Verena

    2015-10-19

    Four complex intermetallic compounds BaAu6±xGa6±y (x = 1, y = 0.9) (I), BaAu6±xAl6±y (x = 0.9, y = 0.6) (II), EuAu6.2Ga5.8 (III), and EuAu6.1Al5.9 (IV) have been synthesized, and their structures and homogeneity ranges have been determined by single crystal and powder X-ray diffraction. Whereas I and II originate from the NaZn13-type structure (cF104–112, Fm3C), III (tP52, P4/nbm) is derived from the tetragonal Ce2Ni17Si9-type, and IV (oP104, Pbcm) crystallizes in a new orthorhombic structure type. Both I and II feature formally anionic networks with completely mixed site occupation by Au and triel (Tr = Al, Ga) atoms, while a successivemore » decrease of local symmetry from the parental structures of I and II to III and, ultimately, to IV correlates with increasing separation of Au and Tr on individual crystallographic sites. Density functional theory-based calculations were employed to determine the crystallographic site preferences of Au and the respective triel element to elucidate reasons for the atom distribution (“coloring scheme”). Chemical bonding analyses for two different “EuAu6Tr6” models reveal maximization of the number of heteroatomic Au–Tr bonds as the driving force for atom organization. The Fermi levels fall in broad pseudogaps for both models allowing some electronic flexibility. Spin-polarized band structure calculations on the “EuAu6Tr6” models hint to singlet ground states for europium and long-range magnetic coupling for both EuAu6.2Ga5.8 (III) and EuAu6.1Al5.9 (IV). This is substantiated by experimental evidence because both compounds show nearly identical magnetic behavior with ferromagnetic transitions at TC = 6 K and net magnetic moments of 7.35 μB/f.u. at 2 K. As a result, the effective moments of 8.3 μB/f.u., determined from Curie–Weiss fits, point to divalent oxidation states for europium in both III and IV.« less

  15. Optical amplification in disordered electrooptic Tm{sup 3+} and Ho{sup 3+} codoped lanthanum-modified lead zirconate titanate ceramics and study of spectroscopy and communication between cations

    SciTech Connect (OSTI)

    Zhao, Hua; Zhang, Kun; Xu, Long; Sun, Fankui; Zhang, Jingwen; Chen, Xuesheng; Li, Kewen K.

    2014-02-21

    Rare earth doped electro-optic (EO) ceramics of lanthanum-modified lead zirconate titanate (PLZT) are promising in building multifunctional optical devices, by taking advantage of both EO effect and optical activity. In this work, the combination of the measured spectra of absorption and photoluminescence, the fluorescent decay, the calculated Judd-Ofelt parameters, and measured single pass gain in Tm{sup 3+}, Ho{sup 3+} codoped PLZT ceramics have marked them out as promising gain media in building electrically controllable lasers/optical amplifiers and other multifunctional devices. Optical energy storage was also observed in the optical amplification dynamics.

  16. BPA-2011-01700-FOIA Response

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

    at the locations of towers 176 and 163, including without limitation any geotechnical explorations, bore logs or records, geotechnical reports, blasting logs or any...

  17. BPA-2011-07100-FOIA Request

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

    including without limitation any -- F Ms. Christina J. Munro August 9, 2011 Page 2 geotechnical explorations, bore logs or records, geotechnical reports, blasting logs or any...

  18. BPA-2011-01700-FOIA Correspondence

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

    at the locations of towers 176 and163, including without limitation any geotechnical explorations, bore logs or records, geotechnical reports, blasting logs or any...

  19. Evaluation of Emerging Technology for Geothermal Drilling and...

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

    Evaluation of Emerging Technology for Geothermal Drilling and Logging Applications Evaluation of Emerging Technology for Geothermal Drilling and Logging Applications Evaluation of ...

  20. Production Project Accounts

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

    accounting logs. PIs and PI Proxies can request a Project Account by logging into nim and selecting "Request a Collaboration Account" under the blue "Actions" tab. Accessing...