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Sample records for deca deci centi

  1. So How Do THey DeciDe

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

    How Do THey DeciDe wHaT To Do aT THe iNL? nuclear energy Nuclear energy is a clean, safe, vital part of this country's energy mix. S takeholders frequently tell us they're ...

  2. Thermodynamics of Electron Flow in the Bacterial Deca-heme Cytochrome MtrF

    SciTech Connect (OSTI)

    Breuer, Marian; Zarzycki, Piotr P.; Blumberger, Jochen; Rosso, Kevin M.

    2012-07-01

    Electron transporting multiheme cytochromes are essential to the metabolism of microbes that inhabit soils and carry out important biogeochemical processes. Recently the first crystal structure of a prototype bacterial deca-heme cytochrome (MtrF) has been resolved and its electrochemistry characterized. However, the molecular details of electron conductance along heme chains in the cytochrome are difficult to access via experiment due to the nearly identical chemical nature of the heme cofactors. Here we employ large-scale molecular dynamics simulations to compute the reduction potentials of the ten hemes of MtrF in aqueous solution. We find that as a whole they fall within a range of about 0.3 V in agreement with experiment. Individual reduction potentials give rise to a free energy profile for electron conduction that is approximately symmetric with respect to the center of the protein. Our calculations indicate that there is no significant potential bias along the orthogonal octa- and tetra-heme chains suggesting that under aqueous conditions MtrF is a nearly reversible two-dimensional conductor.

  3. Annual Site Environmental Report Paducah Site

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

    Report Paducah Site 2011 PAD-REG-1012 BACK TABLE OF CONTENTS FORWARD Fractions and Multiples of Units Multiple Decimal Equivalent Prefix Symbol Engineering Format 10 6 1,000,000 mega- M E+06 10 3 1,000 kilo- k E+03 10 2 100 hecto- h E+02 10 10 deka- da E+01 10 -1 0.1 deci- d E-01 10 -2 0.01 centi- c E-02 10 -3 0.001 milli- m E-03 10 -6 0.000001 micro- μ E-06 10 -9 0.000000001 nano- n E-09 10 -12 0.000000000001 pico- P E-12 10 -15 0.000000000000001 femto- F E-15 10 -18 0.000000000000000001 atto-

  4. Paducah Site Annual Site Environmental Report for Calendar Year 2012

    Energy Savers [EERE]

    Paducah Site Annual Site Environmental Report for Calendar Year 2012 Fractions and Multiples of Units Multiple Decimal Equivalent Prefix Symbol Engineering Format 10 6 1,000,000 mega- M E+06 10 3 1,000 kilo- k E+03 10 2 100 hecto- h E+02 10 10 deka- da E+01 10 -1 0.1 deci- d E-01 10 -2 0.01 centi- c E-02 10 -3 0.001 milli- m E-03 10 -6 0.000001 micro- μ E-06 10 -9 0.000000001 nano- n E-09 10 -12 0.000000000001 pico- P E-12 10 -15 0.000000000000001 femto- F E-15 10 -18 0.000000000000000001 atto-

  5. Earned Value Management System RM

    Office of Environmental Management (EM)

    Review Module March 2010 CD-0 O Ea 0 OFFICE OF arned Va C CD-1 F ENVIRO Standard R alue Man Rev Critical Decis CD-2 M ONMENTAL Review Plan agement view Module sion (CD) Ap CD...

  6. CONCUR: AWARD FEE PLAN - FY15

    Office of Environmental Management (EM)

    as Facility Support Services Contract Award Fee Plan Contract Number DE-CI0000004 3 editorial or personnel changes may be made and implemented without being provided to the...

  7. Chapter 4: The Building Architectural Design

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

    : The Building Architectural Design Schematic Design Designing Using Computer Simulations Design of High Performance Features and Systems Designing for Daylighting Passive and Active Solar Systems Accommodating Recycling Activities LANL | Chapter 4 The Building Architectural Design Schematic Design Achieving a sustainable building requires a commitment from developing the initial F&OR documents through construction detailing and commissioning. Initial deci- sions, such as the building's

  8. Award Fee Evaluation Period 6 Determination Scorecard Contractor: Wastren-EnergX Mission Support, LLC

    Office of Environmental Management (EM)

    6 Determination Scorecard Contractor: Wastren-EnergX Mission Support, LLC Contract: DE-CI0000004 Award Fee Evaluation Period: Fiscal Year 2015 (October 1, 2014 to September 30, 2015) Basis of Evaluation: Award Fee Plan for Wastren-EnergX Mission Support, LLC Award Fee Evaluation Period 6 Categories of Performance: $1,435,629 Award Fee Available: $1,435,629 Award Fee Earned: $1,406,916 (98%) Categories of Performance Award Fee Award Fee Area Adjectival Ratings Award Fee Available: $1,435,629 1.

  9. Project Execution Plan RM

    Office of Environmental Management (EM)

    Project Execution Plan (PEP) Review Module March 2010 CD-0 O 0 OFFICE OF P C CD-1 F ENVIRO Standard R Project E Rev Critical Decis CD-2 M ONMENTAL Review Plan Execution view Module sion (CD) Ap CD March 2010 L MANAGE n (SRP) n Plan e pplicability D-3 EMENT CD-4 Post Ope eration Standard Review Plan, 2 nd Edition, March 2010 i FOREWORD The Standard Review Plan (SRP) 1 provides a consistent, predictable corporate review framework to ensure that issues and risks that could challenge the success of

  10. Quality Assurance for Critical Decision Reviews RM

    Office of Environmental Management (EM)

    Quality Assurance for Critical Decision Reviews Module March 2010 CD-0 O 0 OFFICE OF Q C CD-1 F ENVIRO Standard R Quality A Rev Critical Decis CD-2 M ONMENTAL Review Plan Assuranc view Module sion (CD) Ap CD March 2010 L MANAGE n (SRP) e (QA) e pplicability D-3 EMENT CD-4 Post Ope eration Standard Review Plan, 2 nd Edition, March 2010 i FOREWORD The Standard Review Plan (SRP) 1 provides a consistent, predictable corporate review framework to ensure that issues and risks that could challenge the

  11. Integrated Project Team RM

    Office of Environmental Management (EM)

    Integrated Project Team (IPT) Review Module March 2010 CD-0 This R O 0 Review Modul OFFICE OF Inte C CD-1 le was piloted F ENVIRO Standard R grated P Rev Critical Decis CD-2 M at the OR U 23 incorporated ONMENTAL Review Plan Project Te view Module sion (CD) Ap CD March 2010 33 Disposition in the Review L MANAGE n (SRP) eam (IPT e pplicability D-3 Project in 200 Module. EMENT T) CD-4 09. Lessons lea Post Ope arned have been eration n Standard Review Plan, 2 nd Edition, March 2010 i FOREWORD The

  12. National Environmental Policy Act RM

    Office of Environmental Management (EM)

    National Environmental Policy Act Review Module March 2010 CD- N -0 OFFICE O National E C CD-1 OF ENVIRO Standa Environm Rev Critical Deci CD-2 M ONMENTA ard Review mental P view Modul ision (CD) A C March 2010 AL MANAG Plan olicy Act le Applicability D-3 GEMENT t (NEPA) CD-4 ) Post Ope eration Standard Review Plan, 2 nd Edition, March 2010 i FOREWORD The Standard Review Plan (SRP) 1 provides a consistent, predictable corporate review framework to ensure that issues and risks that could

  13. Site: Contract Name: Contractor: Contract Number: Contract Type:

    Office of Environmental Management (EM)

    Contract Cost: Contract Base Period: Contract Option Period: Minimum Fee (Base Fee) Maximum Fee (Award Fee) Performance Period Award Fee Available Award Fee Earned FY2010 $359,179 $289,238 FY2011 $725,476 $573,169 FY2012 $1,479,652 $1,339,065 FY2013 $1,499,253 $1,319,342 FY2014 $1,556,035 $1,447,113 FY2015 $1,435,629 FY2016* $564,658 Cumulative Fee $7,619,882 $4,967,927 DE-CI0000004 Fee Information $7,619,882 EM Contractor Fee Portsmouth Paducah Project Office Portsmouth Facility Support

  14. PPPO Contracts | Department of Energy

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

    Contracts PPPO Contracts Award Fee Contracts: Portsmouth D&D Project Fluor-BWXT Portsmouth LLC (FBP); Contract: DE-AC30-10CC40017; Size/Status: Large Business [Expires 3/28/16 (w/5-yr opt.)] AWARD FEE INFO: FY15-16 Award Fee Plan | FY14 FBP Scorecard on Award Fee Portsmouth Infrastructure Support Services Wastren - EnergX Mission Support LLC (WEMS) Contract: DE-CI0000004; Size/Status: Small Business (Expires 1/25/16) AWARD FEE INFO: FY15 Award Fee Plan | FY14 WEMS Scorecard on Award Fee

  15. Unbiased free energy estimates in fast nonequilibrium transformations using Gaussian mixtures

    SciTech Connect (OSTI)

    Procacci, Piero

    2015-04-21

    In this paper, we present an improved method for obtaining unbiased estimates of the free energy difference between two thermodynamic states using the work distribution measured in nonequilibrium driven experiments connecting these states. The method is based on the assumption that any observed work distribution is given by a mixture of Gaussian distributions, whose normal components are identical in either direction of the nonequilibrium process, with weights regulated by the Crooks theorem. Using the prototypical example for the driven unfolding/folding of deca-alanine, we show that the predicted behavior of the forward and reverse work distributions, assuming a combination of only two Gaussian components with Crooks derived weights, explains surprisingly well the striking asymmetry in the observed distributions at fast pulling speeds. The proposed methodology opens the way for a perfectly parallel implementation of Jarzynski-based free energy calculations in complex systems.

  16. Multibody correlations in the hydrophobic solvation of glycine peptides

    SciTech Connect (OSTI)

    Harris, Robert C.; Drake, Justin A.; Pettitt, B. Montgomery

    2014-12-14

    Protein collapse during folding is often assumed to be driven by a hydrophobic solvation energy (ΔG{sub vdw}) that scales linearly with solvent-accessible surface area (A). In a previous study, we argued that ΔG{sub vdw}, as well as its attractive (ΔG{sub att}) and repulsive (ΔG{sub rep}) components, was not simply a linear function of A. We found that the surface tensions, γ{sub rep}, γ{sub att}, and γ{sub vdw}, gotten from ΔG{sub rep}, ΔG{sub att}, and ΔG{sub vdw} against A for four configurations of deca-alanine differed from those obtained for a set of alkanes. In the present study, we extend our analysis to fifty decaglycine structures and atomic decompositions. We find that different configurations of decaglycine generate different estimates of γ{sub rep}. Additionally, we considered the reconstruction of the solvation free energy from scaling the free energy of solvation of each atom type, free in solution. The free energy of the isolated atoms, scaled by the inverse surface area the atom would expose in the molecule does not reproduce the γ{sub rep} for the intact decaglycines. Finally, γ{sub att} for the decaglycine conformations is much larger in magnitude than those for deca-alanine or the alkanes, leading to large negative values of γ{sub vdw} (−74 and −56 cal/mol/Å{sup 2} for CHARMM27 and AMBER ff12sb force fields, respectively). These findings imply that ΔG{sub vdw} favors extended rather than compact structures for decaglycine. We find that ΔG{sub rep} and ΔG{sub vdw} have complicated dependencies on multibody correlations between solute atoms, on the geometry of the molecular surface, and on the chemical identities of the atoms.

  17. Toward quantitative modeling of silicon phononic thermocrystals

    SciTech Connect (OSTI)

    Lacatena, V.; Haras, M.; Robillard, J.-F. Dubois, E.; Monfray, S.; Skotnicki, T.

    2015-03-16

    The wealth of technological patterning technologies of deca-nanometer resolution brings opportunities to artificially modulate thermal transport properties. A promising example is given by the recent concepts of 'thermocrystals' or 'nanophononic crystals' that introduce regular nano-scale inclusions using a pitch scale in between the thermal phonons mean free path and the electron mean free path. In such structures, the lattice thermal conductivity is reduced down to two orders of magnitude with respect to its bulk value. Beyond the promise held by these materials to overcome the well-known “electron crystal-phonon glass” dilemma faced in thermoelectrics, the quantitative prediction of their thermal conductivity poses a challenge. This work paves the way toward understanding and designing silicon nanophononic membranes by means of molecular dynamics simulation. Several systems are studied in order to distinguish the shape contribution from bulk, ultra-thin membranes (8 to 15 nm), 2D phononic crystals, and finally 2D phononic membranes. After having discussed the equilibrium properties of these structures from 300 K to 400 K, the Green-Kubo methodology is used to quantify the thermal conductivity. The results account for several experimental trends and models. It is confirmed that the thin-film geometry as well as the phononic structure act towards a reduction of the thermal conductivity. The further decrease in the phononic engineered membrane clearly demonstrates that both phenomena are cumulative. Finally, limitations of the model and further perspectives are discussed.

  18. A fluorescence-based method for rapid and direct determination of polybrominated diphenyl ethers in water

    SciTech Connect (OSTI)

    Shan, Huimei; Liu, Chongxuan; Wang, Zheming; Ma, Teng; Shang, Jianying; Pan, Duoqiang

    2015-01-01

    A new method was developed for rapid and direct measurement of polybrominated diphenyl ethers (PBDEs) in aqueous samples using fluorescence spectroscopy. The fluorescence spectra of tri- to deca-BDE (BDE 28, 47, 99, 153, 190, and 209) commonly found in environment were measured at variable emission and excitation wavelengths. The results revealed that the PBDEs have distinct fluorescence spectral profiles and peak positions that can be exploited to identify these species and determine their concentrations in aqueous solutions. The detection limits as determined in deionized water spiked with PBDEs are 1.71-5.82 ng/L for BDE 28, BDE 47, BDE 190, and BDE 209 and 45.5569.95 ng/L for BDE 99 and BDE 153. The effects of environmental variables including pH, humic substance, and groundwater chemical composition on PBDEs measurements were also investigated. These environmental variables affected fluorescence intensity, but their effect can be corrected through linear additivity and separation of spectral signal contribution. Compared with conventional GC-based analytical methods, the fluorescence spectroscopy method is more efficient as it only uses a small amount of samples (2-4 mL), avoids lengthy complicated concentration and extraction steps, and has a low detection limit of a few ng/L.

  19. A fluorescence-based method for rapid and direct determination of polybrominated diphenyl ethers in water

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

    Shan, Huimei; Liu, Chongxuan; Wang, Zheming; Ma, Teng; Shang, Jianying; Pan, Duoqiang

    2015-01-01

    A new method was developed for rapid and direct measurement of polybrominated diphenyl ethers (PBDEs) in aqueous samples using fluorescence spectroscopy. The fluorescence spectra of tri- to deca-BDE (BDE 28, 47, 99, 153, 190, and 209) commonly found in environment were measured at variable emission and excitation wavelengths. The results revealed that the PBDEs have distinct fluorescence spectral profiles and peak positions that can be exploited to identify these species and determine their concentrations in aqueous solutions. The detection limits as determined in deionized water spiked with PBDEs are 1.71-5.82 ng/L for BDE 28, BDE 47, BDE 190, and BDEmore » 209 and 45.55–69.95 ng/L for BDE 99 and BDE 153. The effects of environmental variables including pH, humic substance, and groundwater chemical composition on PBDEs measurements were also investigated. These environmental variables affected fluorescence intensity, but their effect can be corrected through linear additivity and separation of spectral signal contribution. Compared with conventional GC-based analytical methods, the fluorescence spectroscopy method is more efficient as it only uses a small amount of samples (2-4 mL), avoids lengthy complicated concentration and extraction steps, and has a low detection limit of a few ng/L.« less

  20. Feasibility of RACT for 3D dose measurement and range verification in a water phantom

    SciTech Connect (OSTI)

    Alsanea, Fahed; Moskvin, Vadim; Stantz, Keith M.

    2015-02-15

    Purpose: The objective of this study is to establish the feasibility of using radiation-induced acoustics to measure the range and Bragg peak dose from a pulsed proton beam. Simulation studies implementing a prototype scanner design based on computed tomographic methods were performed to investigate the sensitivity to proton range and integral dose. Methods: Derived from thermodynamic wave equation, the pressure signals generated from the dose deposited from a pulsed proton beam with a 1 cm lateral beam width and a range of 16, 20, and 27 cm in water using Monte Carlo methods were simulated. The resulting dosimetric images were reconstructed implementing a 3D filtered backprojection algorithm and the pressure signals acquired from a 71-transducer array with a cylindrical geometry (30 40 cm) rotated over 2? about its central axis. Dependencies on the detector bandwidth and proton beam pulse width were performed, after which, different noise levels were added to the detector signals (using 1 ?s pulse width and a 0.5 MHz cutoff frequency/hydrophone) to investigate the statistical and systematic errors in the proton range (at 20 cm) and Bragg peak dose (of 1 cGy). Results: The reconstructed radioacoustic computed tomographic image intensity was shown to be linearly correlated to the dose within the Bragg peak. And, based on noise dependent studies, a detector sensitivity of 38 mPa was necessary to determine the proton range to within 1.0 mm (full-width at half-maximum) (systematic error < 150 ?m) for a 1 cGy Bragg peak dose, where the integral dose within the Bragg peak was measured to within 2%. For existing hydrophone detector sensitivities, a Bragg peak dose of 1.6 cGy is possible. Conclusions: This study demonstrates that computed tomographic scanner based on ionizing radiation-induced acoustics can be used to verify dose distribution and proton range with centi-Gray sensitivity. Realizing this technology into the clinic has the potential to significantly impact beam commissioning, treatment verification during particle beam therapy and image guided techniques.

  1. Polybrominated diphenyl ethers in e-waste: Level and transfer in a typical e-waste recycling site in Shanghai, Eastern China

    SciTech Connect (OSTI)

    Li, Yue; Duan, Yan-Ping, E-mail: duanyanping@tongji.edu.cn; Huang, Fan; Yang, Jing; Xiang, Nan; Meng, Xiang-Zhou; Chen, Ling

    2014-06-01

    Highlights: PBDEs were detected in the majority of e-waste. PBDEs were found in TVs made in China after 1990. The levels of ?PBDEs in e-waste made in Japan far exceed the threshold limit of RoHS. The inappropriate recycling and disposal of e-waste is an important source of PBDEs. - Abstract: Very few data for polybrominated diphenyl ethers (PBDEs) were available in the electronic waste (e-waste) as one of the most PBDEs emission source. This study reported concentrations of PBDEs in e-waste including printer, rice cooker, computer monitor, TV, electric iron and water dispenser, as well as dust from e-waste, e-waste dismantling workshop and surface soil from inside and outside of an e-waste recycling plant in Shanghai, Eastern China. The results showed that PBDEs were detected in the majority of e-waste, and the concentrations of ?PBDEs ranged from not detected to 175 g/kg, with a mean value of 10.8 g/kg. PBDEs were found in TVs made in China after 1990. The mean concentrations of ?PBDEs in e-waste made in Korea, Japan, Singapore and China were 1.84 g/kg, 20.5 g/kg, 0.91 g/kg, 4.48 g/kg, respectively. The levels of ?PBDEs in e-waste made in Japan far exceed the threshold limit of RoHS (1.00 g/kg). BDE-209 dominated in e-waste, accounting for over 93%. The compositional patterns of PBDEs congeners resembled the profile of Saytex 102E, indicating the source of deca-BDE. Among the samples of dust and surface soil from a typical e-waste recycling site, the highest concentrations of ?{sub 18}PBDEs and BDE-209 were found in dust in e-waste, ranging from 1960 to 340,710 ng/g and from 910 to 320,400 ng/g, which were 12 orders of magnitude higher than other samples. It suggested that PBDEs released from e-waste via dust, and then transferred to surrounding environment.

  2. Distributed Sensor Coordination for Advanced Energy Systems

    SciTech Connect (OSTI)

    Tumer, Kagan

    2013-07-31

    The ability to collect key system level information is critical to the safe, efficient and reli- able operation of advanced energy systems. With recent advances in sensor development, it is now possible to push some level of decision making directly to computationally sophisticated sensors, rather than wait for data to arrive to a massive centralized location before a decision is made. This type of approach relies on networked sensors (called agents from here on) to actively collect and process data, and provide key control deci- sions to significantly improve both the quality/relevance of the collected data and the as- sociating decision making. The technological bottlenecks for such sensor networks stem from a lack of mathematics and algorithms to manage the systems, rather than difficulties associated with building and deploying them. Indeed, traditional sensor coordination strategies do not provide adequate solutions for this problem. Passive data collection methods (e.g., large sensor webs) can scale to large systems, but are generally not suited to highly dynamic environments, such as ad- vanced energy systems, where crucial decisions may need to be reached quickly and lo- cally. Approaches based on local decisions on the other hand cannot guarantee that each agent performing its task (maximize an agent objective) will lead to good network wide solution (maximize a network objective) without invoking cumbersome coordination rou- tines. There is currently a lack of algorithms that will enable self-organization and blend the efficiency of local decision making with the system level guarantees of global decision making, particularly when the systems operate in dynamic and stochastic environments. In this work we addressed this critical gap and provided a comprehensive solution to the problem of sensor coordination to ensure the safe, reliable, and robust operation of advanced energy systems. The differentiating aspect of the proposed work is in shift- ing the focus towards what to observe rather than how to observe in large sensor networks, allowing the agents to actively determine both the structure of the network and the relevance of the information they are seeking to collect. In addition to providing an implicit coordination mechanism, this approach allows the system to be reconfigured in response to changing needs (e.g., sudden external events requiring new responses) or changing sensor network characteristics (e.g., sudden changes to plant condition). Outcome Summary: All milestones associated with this project have been completed. In particular, private sensor objective functions were developed which are aligned with the global objective function, sensor effectiveness has been improved by using sensor teams, system efficiency has been improved by 30% using difference evaluation func- tions, we have demonstrated system reconfigurability for 20% changes in system con- ditions, we have demonstrated extreme scalability of our proposed algorithm, we have demonstrated that sensor networks can overcome disruptions of up to 20% in network conditions, and have demonstrated system reconfigurability to 20% changes in system conditions in hardware-based simulations. This final report summarizes how each of these milestones was achieved, and gives insight into future research possibilities past the work which has been completed. The following publications support these milestones [6, 8, 9, 10, 16, 18, 19].