Safety System Oversight Staffing Analysis - Example | Department...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
System Oversight Staffing Analysis - Example Safety System Oversight Staffing Analysis - Example Office spreadsheet icon SSO Alternate Staffing Analysis - Example Filled ...
Safety System Oversight Staffing Analysis (Instructions, Blank...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Safety System Oversight Staffing Analysis (Instructions, Blank Sheet and Example Sheet) This Staffing Analysis calculation is completed using an Excel worksheet. Information ...
DOE Executive Staffing and Recruitment | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
DOE Executive Staffing and Recruitment DOE Executive Staffing and Recruitment DOCUMENTS AVAILABLE FOR DOWNLOAD
Workforce Analysis and Staffing | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Policy, Guidance & Reports » Worker Health & Safety » Federal Technical Capability Program (FTCP) » Workforce Analysis and Staffing Workforce Analysis and Staffing Workforce Analysis & Staffing Plan Report Memo, Template & Workforce Analysis Guidance for FR, SSO, STSM & TQP Calendar Year 2015 Calendar Year 2014 Calendar Year 2013 Calendar Year 2012 Calendar Year 2011 Calendar Year 2010 SSO Alternate Staffing Analysis Instructions, Blank spreadsheet and example filled
2012 Annual Workforce Analysis and Staffing Plan Report - Oak...
2 Annual Workforce Analysis and Staffing Plan Report - Oak Ridge Office of Environmental Management 2012 Annual Workforce Analysis and Staffing Plan Report - Oak Ridge Office of...
Safety System Oversight Staffing Analysis - Blank Sheet | Department...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Safety System Oversight Staffing Analysis - Blank Sheet This Staffing Analysis calculation is completed using an Excel worksheet. Information locations are identified by titles in ...
2015 Annual Workforce Analysis and Staffing Plan Report - DOE...
Office of Environmental Management (EM)
and Staffing Plan Report for Calendar Year 2015 TO: Karen L. Boardman, Chair, Federal ... and Staffing Plan Report for Calendar Year 2015, dated October 14, 2014 Attached please ...
Staffing and Placement - DOE Directives, Delegations, and Requirements
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
DRAFT DOE O 325.3, Staffing and Placement by Tiffany M Wheeler Functional areas: Staffing, Placement, Recruiting, Excepted Service The Order establishes requirements and...
2011 Workforce Analysis and Staffing Plan Report Memo, Guidance...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Workforce Analysis and Staffing Plan Report Memo, Guidance and Template 2011 Workforce Analysis and Staffing Plan Report Memo, Guidance and Template The Department of Energy ...
2010 Workforce Analysis and Staffing Plan Report Memo, Guidance...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Workforce Analysis and Staffing Plan Report Memo, Guidance and Template 2010 Workforce Analysis and Staffing Plan Report Memo, Guidance and Template The Department of Energy ...
2014 Workforce Analysis and Staffing Plan Report Memo, Guidance...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
4 Workforce Analysis and Staffing Plan Report Memo, Guidance and Template 2014 Workforce Analysis and Staffing Plan Report Memo, Guidance and Template The Department of Energy ...
2015 Workforce Analysis and Staffing Plan Report Memo, Guidance...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Workforce Analysis and Staffing Plan Report Memo, Guidance and Template 2015 Workforce Analysis and Staffing Plan Report Memo, Guidance and Template The Department of Energy ...
2013 Workforce Analysis and Staffing Plan Report Memo, Guidance...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Workforce Analysis and Staffing Plan Report Memo, Guidance and Template 2013 Workforce Analysis and Staffing Plan Report Memo, Guidance and Template The Department of Energy ...
2012 Workforce Analysis and Staffing Plan Report Memo, Guidance...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Workforce Analysis and Staffing Plan Report Memo, Guidance and Template 2012 Workforce Analysis and Staffing Plan Report Memo, Guidance and Template The Department of Energy ...
2011 Annual Workforce Analysis and Staffing Plan Report - Oak...
safety assurance. PDF icon 2011 Annual Workforce Analysis and Staffing Plan Report - ORO More Documents & Publications 2010 Annual Workforce Analysis and Staffing Plan Report -...
Staffing for Clean Energy Financing Programs | Department of...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Staffing for Clean Energy Financing Programs Staffing for Clean Energy Financing Programs ... different partners who are involved in energy efficiency and renewable energy programs. ...
Microsoft Word - Temporary Staffing SOW 11-2-2015 - FINAL -...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
staffing agency provides financial allowance for staffing agency to offer health care coverage to their employees. 3.0 PROPOSED WORK SCHEDULE AND SPACE 3.1 Unless otherwise...
2010 Workforce Analysis and Staffing Plan Report Memo, Guidance and
Template | Department of Energy Workforce Analysis and Staffing Plan Report Memo, Guidance and Template 2010 Workforce Analysis and Staffing Plan Report Memo, Guidance and Template The Department of Energy Federal Technical Capability Order, DOE 0 426.1, requires that managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce
2011 Annual Workforce Analysis and Staffing Plan Report - Carlsbad Field
Office | Department of Energy Annual Workforce Analysis and Staffing Plan Report - Carlsbad Field Office 2011 Annual Workforce Analysis and Staffing Plan Report - Carlsbad Field Office Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense
2012 Annual Workforce Analysis and Staffing Plan Report - Livermore Field
Office | Department of Energy Annual Workforce Analysis and Staffing Plan Report - Livermore Field Office 2012 Annual Workforce Analysis and Staffing Plan Report - Livermore Field Office Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense
2013 Workforce Analysis and Staffing Plan Report Memo, Guidance and
Template | Department of Energy Workforce Analysis and Staffing Plan Report Memo, Guidance and Template 2013 Workforce Analysis and Staffing Plan Report Memo, Guidance and Template The Department of Energy Federal Technical Capability Order, DOE 0 426.1, requires that managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce
Safety System Oversight Staffing Analysis (Instructions, Blank Sheet and
Example Sheet) | Department of Energy Safety System Oversight Staffing Analysis (Instructions, Blank Sheet and Example Sheet) Safety System Oversight Staffing Analysis (Instructions, Blank Sheet and Example Sheet) This Staffing Analysis calculation is completed using an Excel worksheet. Information locations are identified by titles in column or row headings and worksheet locations based on the unmodified blank worksheet. Use caution when making worksheet modifications since changes to the
2012 Annual Workforce Analysis and Staffing Plan Report - Nevada Site
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Office | Department of Energy 2 Annual Workforce Analysis and Staffing Plan Report - Nevada Site Office 2012 Annual Workforce Analysis and Staffing Plan Report - Nevada Site Office Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense
2014 Annual Workforce Analysis and Staffing Plan Report - Los...
Office of Environmental Management (EM)
Field Office Work Force Analysis and Staffing Plan Report for Calendar Year 2014 Karen L. Boardman, Chair, Federal Technical Capability Panel References: 1. DOE Order426.l, ...
2010 Annual Workforce Analysis and Staffing Plan Report - Los...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Los Alamos Site Office 2010 Annual Workforce Analysis and Staffing Plan Report - Los Alamos Site Office Managers perform an annual workforce analysis of their organization and ...
2015 Annual Workforce Analysis and Staffing Plan Report - Los...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Los Alamos Field Office 2015 Annual Workforce Analysis and Staffing Plan Report - Los Alamos Field Office Managers perform an annual workforce analysis of their organization and ...
2014 Annual Workforce Analysis and Staffing Plan Report - Portsmouth...
Office of Environmental Management (EM)
Office Annual Workforce Analysis and Staffing Plan Report for SUBJECT: Calendar Year 2014 TO: Ms. Karen Boardman, Chair Federal Technical Capability Panel, EA-50383 Reference:...
2013 Annual Workforce Analysis and Staffing Plan Report - NNSA...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Office 2012 Annual Workforce Analysis and Staffing Plan Report - NNSA Production Office Technical Qualification Program Self-Assessment Report - NNSA Production Office - 2014...
Staffing Guide for Project Management - DOE Directives, Delegations...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
19 Admin Chg 1, Staffing Guide for Project Management by Brian Kong Functional areas: Administrative Change, Program Management, Project Management This Guide provides an approach...
Draft - DOE O 325.3, Staffing and Placement
Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]
The Order establishes requirements and responsibilities for recruiting and staffing all competitive positions and General Schedule excepted service positions under Schedule A, B, and D at DOE.
2010 Annual Workforce Analysis and Staffing Plan Report- NNSA HQ
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- NNSA HQ
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- NNSA HQ
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- NNSA HQ
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- NNSA HQ
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report - Livermore Field
Office | Department of Energy Livermore Field Office 2014 Annual Workforce Analysis and Staffing Plan Report - Livermore Field Office Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense nuclear facility and related operational hazards.
2014 Annual Workforce Analysis and Staffing Plan Report - Portsmouth
Paducah Project Office | Department of Energy Portsmouth Paducah Project Office 2014 Annual Workforce Analysis and Staffing Plan Report - Portsmouth Paducah Project Office Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense nuclear
2015 Annual Workforce Analysis and Staffing Plan Report - NNSA HQ |
Department of Energy NNSA HQ 2015 Annual Workforce Analysis and Staffing Plan Report - NNSA HQ Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense nuclear facility and related operational hazards. Individual site summaries developed at the
2015 Annual Workforce Analysis and Staffing Plan Report - Nevada Field
Office | Department of Energy Nevada Field Office 2015 Annual Workforce Analysis and Staffing Plan Report - Nevada Field Office Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense nuclear facility and related operational hazards.
2015 Annual Workforce Analysis and Staffing Plan Report - Portsmouth
Paducah Project Office | Department of Energy Portsmouth Paducah Project Office 2015 Annual Workforce Analysis and Staffing Plan Report - Portsmouth Paducah Project Office Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense nuclear
Policy Guidance Memorandum #36 SES Competitive Staffing Procedures |
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Department of Energy 6 SES Competitive Staffing Procedures Policy Guidance Memorandum #36 SES Competitive Staffing Procedures Policy Guidance Memorandum #36 provides overarching policy guidance and implementing procedures for the Senior Executive Service (SES) competitive recruitment process to ensure consistency, transparency and compliance with law and regulations throughout DOE, while allowing organizations the flexibility to tailor the SES competitive recruitment process to best meet
2011 Annual Workforce Analysis and Staffing Plan Report - Portsmouth
Office of Environmental Management (EM)
Paducah Project Office | Department of Energy Portsmouth Paducah Project Office 2011 Annual Workforce Analysis and Staffing Plan Report - Portsmouth Paducah Project Office Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense nuclear
2013-10-08 DOE G 413.3-19 staffing model v07 | Department of...
Broader source: Energy.gov (indexed) [DOE]
2013-10-08 DOE G 413.3-19 staffing model v07.xls More Documents & Publications Staffing Model Microsoft Word - DOEStaffingStudyCover.doc DOE G 413.3-12 PDRI v02...
To request the approval of a new Staffing and Placing Order under DOE O 325.3
Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]
2015-11-05
To create a new Staffing and Placement order that will establish policies and other requirements relating to internal and external staffing and recruitment practices.
Audit of staffing requirements at the Westinghouse Savannah River Company
Not Available
1994-01-25
The Westinghouse Savannah River Company operates the Savannah River Site for the US Department of Energy (Department) under a cost-plus-award-fee contract. Department policies require contractors to ensure a high level of performance in operating Department facilities by establishing operating standards, assessing performance against such standards, and holding contractor employees accountable for their performance. The purpose of the audit was to review Westinghouse`s policies and practices for determining staffing requirements. Since assuming responsibility for the Savannah River Site in 1989, Westinghouse increased its staffing by over 4,000 employees. The Department had undertaken some actions to reduce the number of contractor employees at the Savannah River Site. Our audit showed that the use of industry and federal performance work standards in its construction and management activities could enable Westinghouse to further reduce its staff by over 1,800 employees. The potential savings in salaries and benefits associated with such action could be about $399 million over a 5-year period. Additional staffing reductions could be attained through the use of engineered time standards in the maintenance and fabrication shops. In addition, Westinghouse significantly understated, in periodic reports to the Department, the personnel resources applied to accomplish contract requirements. Of course, the actual staffing reductions realized would be largely determined by the manner in which the work standards are implemented and the levels of proficiency attained by the workforce.
2010 Annual Workforce Analysis and Staffing Plan Report - Los Alamos Site
Office | Department of Energy Annual Workforce Analysis and Staffing Plan Report - Los Alamos Site Office 2010 Annual Workforce Analysis and Staffing Plan Report - Los Alamos Site Office Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense
2013 Annual Workforce Analysis and Staffing Plan Report - Oak Ridge Office
of Environmental Management | Department of Energy Annual Workforce Analysis and Staffing Plan Report - Oak Ridge Office of Environmental Management 2013 Annual Workforce Analysis and Staffing Plan Report - Oak Ridge Office of Environmental Management Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process
2015 Annual Workforce Analysis and Staffing Plan Report - Oak Ridge Office
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
of Environmental Management | Department of Energy 5 Annual Workforce Analysis and Staffing Plan Report - Oak Ridge Office of Environmental Management 2015 Annual Workforce Analysis and Staffing Plan Report - Oak Ridge Office of Environmental Management Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis
Westinghouse, DOE see apples, oranges in IG staffing report
Lobsenz, G.
1994-03-01
The operator of the Energy Department's Savannah River weapons plant has at least 1,800 more employees than it needs, and could save $400 million over a five-year period by cutting its staff accordingly, a DOE inspector general study says. Most of the boat - 1,206 employees - was attributed to excessive numbers of managers, with the inspector general concluding that Westinghouse Savannah River Co. had roughly twice as many layers of management than two other DOE weapons contractors. The study also concluded that Westinghouse in fiscal year 1992 significantly understated its actual staffing levels in reports to DOE, failing to disclose 1,765 full-time employees or the equivalent hours worked. Through such underreporting Westinghouse was able to [open quotes]circumvent staffing ceilings established by the department,[close quotes] the study added. Overall, DOE Inspector General John Layton said Westinghouse's staff levels substantially exceeded those needed for efficient operation of the South Carolina nuclear weapons facility. Layton based his analysis on efficiency standards attained by other DOE weapons plant contractors, such as Martin Marietta Energy Systems at DOE's Oak Ridge, Tenn., plant and EG G Rocky Flats, as well as widely utilized worker performance requirements used by the Navy and private sector companies that perform work similar to that done at Savannah River.
2012 Annual Workforce Analysis and Staffing Plan Report- Office of River Protection
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Office of River Protection
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Savannah River Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Savannah River Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Los Alamos Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Nevada Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Office of Environmental Management
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2015 Annual Workforce Analysis and Staffing Plan Report- NNSA Production Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2015 Annual Workforce Analysis and Staffing Plan Report- Chief of Nuclear Safety
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2015 Annual Workforce Analysis and Staffing Plan Report- Carlsbad Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2015 Annual Workforce Analysis and Staffing Plan Report- Sandia Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Pantex Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Carlsbad Field Office
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Idaho Operations Office
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- EM Consolidated Business Center
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- EM Consolidated Business Center
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- EM Consolidated Business Center
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Richland Operations Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- NNSA Production Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Oak Ridge Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Savannah River Operations Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- NNSA Production Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- West Valley Demonstration Project
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Sandia Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Sandia Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Pacific Northwest Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Office of Science
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Office of Science
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Office of Science
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Office of Science
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Office of Science
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Chief of Nuclear Safety
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Office of Environmental Management
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Office of Environmental Management
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Los Alamos Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Pacific Northwest Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Pacific Northwest Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Pacific Northwest Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Pacific Northwest Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Idaho Operations Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- NNSA Production Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Office of River Protection
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Idaho Operations Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Richland Operations Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2015 Annual Workforce Analysis and Staffing Plan Report- Pacific Northwest Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Carlsbad Field Office
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Y-12 Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Office of Health, Safety and Security
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Office of Health, Safety and Security
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Office of Health, Safety and Security
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Office of Health, Safety and Security
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Sandia Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Savannah River Site Office
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Office of River Protection
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Savannah River Operations Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2015 Annual Workforce Analysis and Staffing Plan Report- Office of Environmental Management
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Chief of Nuclear Safety
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Chief of Nuclear Safety
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- NNSA Service Center
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Nuclear Energy Oak Ridge Site Office
Broader source: Energy.gov [DOE]
anagers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Chief of Nuclear Safety
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Chief of Nuclear Safety
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Idaho Operations Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Oak Ridge Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Savannah River Operations Office
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Savannah River Operations Office
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2015 Annual Workforce Analysis and Staffing Plan Report- Savannah River Operations Office
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2014 Annual Workforce Analysis and Staffing Plan Report- Savannah River Operations Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2015 Annual Workforce Analysis and Staffing Plan Report- Savannah River Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Oak Ridge Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Sandia Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Oak Ridge Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Sandia Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Livermore Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2010 Annual Workforce Analysis and Staffing Plan Report- Livermore Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Livermore Field Office
Office of Energy Efficiency and Renewable Energy (EERE)
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Nuclear Energy Oak Ridge Site Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2011 Annual Workforce Analysis and Staffing Plan Report- Office of Environmental Management
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Carlsbad Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2012 Annual Workforce Analysis and Staffing Plan Report- Los Alamos Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Los Alamos Field Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Office of Science Chicago Office
Broader source: Energy.gov [DOE]
Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2013 Annual Workforce Analysis and Staffing Plan Report- Nevada Field Office
Broader source: Energy.gov [DOE]
anagers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities.
2015 Annual Workforce Analysis and Staffing Plan Report - Los Alamos Field
Office | Department of Energy Los Alamos Field Office 2015 Annual Workforce Analysis and Staffing Plan Report - Los Alamos Field Office Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to address defense nuclear facility and related operational hazards.
2013 Annual Workforce Analysis and Staffing Plan Report - Office of River
Office of Environmental Management (EM)
of Environmental Management | Department of Energy Oak Ridge Office of Environmental Management 2013 Annual Workforce Analysis and Staffing Plan Report - Oak Ridge Office of Environmental Management Managers perform an annual workforce analysis of their organization and develop staffing plans that identify technical capabilities and positions they need to ensure safe operation of defense nuclear facilities. This workforce analysis process continues to cover technical capability needs to
Broader source: Energy.gov [DOE]
The Energy Savings Performance Contracting Guidelines for Developing, Staffing, and Overseeing a State Program (Program Guidelines) provide information, best practices, and resources on how to develop an Energy Savings Performance Contracting (ESPC) program. The goal is to increase acceptance and use of ESPC by state and local governments to achieve large-scale and comprehensive energy-saving projects.
Approximate circuits for increased reliability
Hamlet, Jason R.; Mayo, Jackson R.
2015-08-18
Embodiments of the invention describe a Boolean circuit having a voter circuit and a plurality of approximate circuits each based, at least in part, on a reference circuit. The approximate circuits are each to generate one or more output signals based on values of received input signals. The voter circuit is to receive the one or more output signals generated by each of the approximate circuits, and is to output one or more signals corresponding to a majority value of the received signals. At least some of the approximate circuits are to generate an output value different than the reference circuit for one or more input signal values; however, for each possible input signal value, the majority values of the one or more output signals generated by the approximate circuits and received by the voter circuit correspond to output signal result values of the reference circuit.
Approximate circuits for increased reliability
Hamlet, Jason R.; Mayo, Jackson R.
2015-12-22
Embodiments of the invention describe a Boolean circuit having a voter circuit and a plurality of approximate circuits each based, at least in part, on a reference circuit. The approximate circuits are each to generate one or more output signals based on values of received input signals. The voter circuit is to receive the one or more output signals generated by each of the approximate circuits, and is to output one or more signals corresponding to a majority value of the received signals. At least some of the approximate circuits are to generate an output value different than the reference circuit for one or more input signal values; however, for each possible input signal value, the majority values of the one or more output signals generated by the approximate circuits and received by the voter circuit correspond to output signal result values of the reference circuit.
Plasma Physics Approximations in Ares
Managan, R. A.
2015-01-08
Lee & More derived analytic forms for the transport properties of a plasma. Many hydro-codes use their formulae for electrical and thermal conductivity. The coefficients are complex functions of Fermi-Dirac integrals, F_{n}( μ/θ ), the chemical potential, μ or ζ = ln(1+e^{ μ/θ} ), and the temperature, θ = kT. Since these formulae are expensive to compute, rational function approximations were fit to them. Approximations are also used to find the chemical potential, either μ or ζ . The fits use ζ as the independent variable instead of μ/θ . New fits are provided for A^{α} (ζ ),A^{β} (ζ ), ζ, f(ζ ) = (1 + e^{-μ/θ})F_{1/2}(μ/θ), F_{1/2}'/F_{1/2}, F_{c}^{α}, and F_{c}^{β}. In each case the relative error of the fit is minimized since the functions can vary by many orders of magnitude. The new fits are designed to exactly preserve the limiting values in the non-degenerate and highly degenerate limits or as ζ→ 0 or ∞. The original fits due to Lee & More and George Zimmerman are presented for comparison.
An approximation technique for jet impingement flow
Najafi, Mahmoud; Fincher, Donald; Rahni, Taeibi; Javadi, KH.; Massah, H.
2015-03-10
The analytical approximate solution of a non-linear jet impingement flow model will be demonstrated. We will show that this is an improvement over the series approximation obtained via the Adomian decomposition method, which is itself, a powerful method for analysing non-linear differential equations. The results of these approximations will be compared to the Runge-Kutta approximation in order to demonstrate their validity.
Approximate error conjugation gradient minimization methods
Kallman, Jeffrey S
2013-05-21
In one embodiment, a method includes selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, calculating an approximate error using the subset of rays, and calculating a minimum in a conjugate gradient direction based on the approximate error. In another embodiment, a system includes a processor for executing logic, logic for selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, logic for calculating an approximate error using the subset of rays, and logic for calculating a minimum in a conjugate gradient direction based on the approximate error. In other embodiments, computer program products, methods, and systems are described capable of using approximate error in constrained conjugate gradient minimization problems.
An improved proximity force approximation for electrostatics
Fosco, Cesar D.; Instituto Balseiro, Universidad Nacional de Cuyo, R8402AGP Bariloche ; Lombardo, Fernando C.; IFIBA ; Mazzitelli, Francisco D.
2012-08-15
A quite straightforward approximation for the electrostatic interaction between two perfectly conducting surfaces suggests itself when the distance between them is much smaller than the characteristic lengths associated with their shapes. Indeed, in the so called 'proximity force approximation' the electrostatic force is evaluated by first dividing each surface into a set of small flat patches, and then adding up the forces due two opposite pairs, the contributions of which are approximated as due to pairs of parallel planes. This approximation has been widely and successfully applied in different contexts, ranging from nuclear physics to Casimir effect calculations. We present here an improvement on this approximation, based on a derivative expansion for the electrostatic energy contained between the surfaces. The results obtained could be useful for discussing the geometric dependence of the electrostatic force, and also as a convenient benchmark for numerical analyses of the tip-sample electrostatic interaction in atomic force microscopes. - Highlights: Black-Right-Pointing-Pointer The proximity force approximation (PFA) has been widely used in different areas. Black-Right-Pointing-Pointer The PFA can be improved using a derivative expansion in the shape of the surfaces. Black-Right-Pointing-Pointer We use the improved PFA to compute electrostatic forces between conductors. Black-Right-Pointing-Pointer The results can be used as an analytic benchmark for numerical calculations in AFM. Black-Right-Pointing-Pointer Insight is provided for people who use the PFA to compute nuclear and Casimir forces.
Broader source: Energy.gov [DOE]
The OCHO provides policy and guidance for the departmental recruitment programs such as Veterans, Disability, and Career Pathway programs as well as policy on the Departments efforts on hiring...
Second derivatives for approximate spin projection methods
Thompson, Lee M.; Hratchian, Hrant P.
2015-02-07
The use of broken-symmetry electronic structure methods is required in order to obtain correct behavior of electronically strained open-shell systems, such as transition states, biradicals, and transition metals. This approach often has issues with spin contamination, which can lead to significant errors in predicted energies, geometries, and properties. Approximate projection schemes are able to correct for spin contamination and can often yield improved results. To fully make use of these methods and to carry out exploration of the potential energy surface, it is desirable to develop an efficient second energy derivative theory. In this paper, we formulate the analytical second derivatives for the Yamaguchi approximate projection scheme, building on recent work that has yielded an efficient implementation of the analytical first derivatives.
Relativistic Random Phase Approximation At Finite Temperature
Niu, Y. F.; Paar, N.; Vretenar, D.; Meng, J.
2009-08-26
The fully self-consistent finite temperature relativistic random phase approximation (FTRRPA) has been established in the single-nucleon basis of the temperature dependent Dirac-Hartree model (FTDH) based on effective Lagrangian with density dependent meson-nucleon couplings. Illustrative calculations in the FTRRPA framework show the evolution of multipole responses of {sup 132}Sn with temperature. With increased temperature, in both monopole and dipole strength distributions additional transitions appear in the low energy region due to the new opened particle-particle and hole-hole transition channels.
Approximate Model for Turbulent Stagnation Point Flow.
Dechant, Lawrence
2016-01-01
Here we derive an approximate turbulent self-similar model for a class of favorable pressure gradient wedge-like flows, focusing on the stagnation point limit. While the self-similar model provides a useful gross flow field estimate this approach must be combined with a near wall model is to determine skin friction and by Reynolds analogy the heat transfer coefficient. The combined approach is developed in detail for the stagnation point flow problem where turbulent skin friction and Nusselt number results are obtained. Comparison to the classical Van Driest (1958) result suggests overall reasonable agreement. Though the model is only valid near the stagnation region of cylinders and spheres it nonetheless provides a reasonable model for overall cylinder and sphere heat transfer. The enhancement effect of free stream turbulence upon the laminar flow is used to derive a similar expression which is valid for turbulent flow. Examination of free stream enhanced laminar flow suggests that the rather than enhancement of a laminar flow behavior free stream disturbance results in early transition to turbulent stagnation point behavior. Excellent agreement is shown between enhanced laminar flow and turbulent flow behavior for high levels, e.g. 5% of free stream turbulence. Finally the blunt body turbulent stagnation results are shown to provide realistic heat transfer results for turbulent jet impingement problems.
Magnetic reconnection under anisotropic magnetohydrodynamic approximation
Hirabayashi, K.; Hoshino, M.
2013-11-15
We study the formation of slow-mode shocks in collisionless magnetic reconnection by using one- and two-dimensional collisionless MHD codes based on the double adiabatic approximation and the Landau closure model. We bridge the gap between the Petschek-type MHD reconnection model accompanied by a pair of slow shocks and the observational evidence of the rare occasion of in-situ slow shock observations. Our results showed that once magnetic reconnection takes place, a firehose-sense (p{sub ?}>p{sub ?}) pressure anisotropy arises in the downstream region, and the generated slow shocks are quite weak comparing with those in an isotropic MHD. In spite of the weakness of the shocks, however, the resultant reconnection rate is 10%30% higher than that in an isotropic case. This result implies that the slow shock does not necessarily play an important role in the energy conversion in the reconnection system and is consistent with the satellite observation in the Earth's magnetosphere.
Bond selective chemistry beyond the adiabatic approximation
Butler, L.J.
1993-12-01
One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.
Approximate models for the ion-kinetic regime in
Office of Scientific and Technical Information (OSTI)
inertial-confinement-fusion capsule implosions (Journal Article) | SciTech Connect Approximate models for the ion-kinetic regime in inertial-confinement-fusion capsule implosions Citation Details In-Document Search Title: Approximate models for the ion-kinetic regime in inertial-confinement-fusion capsule implosions "Reduced" (i.e., simplified or approximate) ion-kinetic (RIK) models in radiation-hydrodynamic simulations permit a useful description of inertial-confinement-fusion
Tests of Monte Carlo Independent Column Approximation in the...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Meteorological Institute Jarvinen, Heikki Finnish Meteorological Institute Category: Modeling The Monte Carlo Independent Column Approximation (McICA) was recently introduced...
Quasiparticle random-phase approximation with interactions from...
Office of Scientific and Technical Information (OSTI)
Quasiparticle random-phase approximation with interactions from the Similarity Renormalization Group Citation Details In-Document Search Title: Quasiparticle random-phase ...
ANALOG QUANTUM NEURON FOR FUNCTIONS APPROXIMATION A. EZHOV; A...
Office of Scientific and Technical Information (OSTI)
FOR FUNCTIONS APPROXIMATION A. EZHOV; A. KHROMOV; G. BERMAN 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; IMPLEMENTATION; NERVE CELLS; WAVEGUIDES We describe a system able...
How to Solve Schroedinger Problems by Approximating the Potential Function
Ledoux, Veerle; Van Daele, Marnix
2010-09-30
We give a survey over the efforts in the direction of solving the Schroedinger equation by using piecewise approximations of the potential function. Two types of approximating potentials have been considered in the literature, that is piecewise constant and piecewise linear functions. For polynomials of higher degree the approximating problem is not so easy to integrate analytically. This obstacle can be circumvented by using a perturbative approach to construct the solution of the approximating problem, leading to the so-called piecewise perturbation methods (PPM). We discuss the construction of a PPM in its most convenient form for applications and show that different PPM versions (CPM,LPM) are in fact equivalent.
Staffing Guide for Project Management
Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]
2010-06-03
This Guide provides an approach to determining the appropriate level and type of federal personnel needed to effectively plan, direct, and oversee project execution. Admin Chg 1, dated 10-12-11, cancels DOE G 413.3-19. Admin Chg 2 dated 10-22-2015.
Staffing Guide for Project Management
Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]
2010-06-03
This Guide provides an approach to determining the appropriate level and type of federal personnel needed to effectively plan, direct, and oversee project execution. Admin Chg 1, dated 10-12-11, cancels DOE G 413.3-19.
Properties of the Boltzmann equation in the classical approximation
Epelbaum, Thomas; Gelis, François; Tanji, Naoto; Wu, Bin
2014-12-30
We examine the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since one has also access to the non-approximated result for comparison.
Properties of the Boltzmann equation in the classical approximation
Tanji, Naoto; Epelbaum, Thomas; Gelis, Francois; Wu, Bin
2014-12-30
We study the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since one has also access to the non-approximated result for comparison.
Properties of the Boltzmann equation in the classical approximation
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Epelbaum, Thomas; Gelis, François; Tanji, Naoto; Wu, Bin
2014-12-30
We examine the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since onemore » has also access to the non-approximated result for comparison.« less
Higher-degree linear approximations of nonlinear systems
Karahan, S.
1989-01-01
In this dissertation, the author develops a new method for obtaining higher degree linear approximations of nonlinear control systems. The standard approach in the analysis and synthesis of nonlinear systems is a first order approximation by a linear model. This is usually performed by obtaining a series expansion of the system at some nominal operating point and retaining only the first degree terms in the series. The accuracy of this approximation depends on how far the system moves away from the normal point, and on the relative magnitudes of the higher degree terms in the series expansion. The approximation is achieved by finding an appropriate nonlinear coordinate transformation-feedback pair to perform the higher degree linearization. With the proposed method, one can improve the accuracy of the approximation up to arbitrarily higher degrees, provided certain solvability conditions are satisfied. The Hunt-Su linearizability theorem makes these conditions precise. This approach is similar to Poincare's Normal Form Theorem in formulation, but different in its solution method. After some mathematical background the author derives a set of equations (called the Homological Equations). A solution to this system of linear equations is equivalent to the solution to the problem of approximate linearization. However, it is generally not possible to solve the system of equations exactly. He outlines a method for systematically finding approximate solutions to these equations using singular value decomposition, while minimizing an error with respect to some defined norm.
Improved approximate formulas for flux from cylindrical and rectangular sources
Wallace, O.J.; Bokharee, S.A.
1993-03-01
This report provides two new approximate formulas for the flux at detector points outside the radial and axial extensions of a homogeneous cylindrical source and improved approximate formulas for the flux at points opposite rectangular surface sources. These formulas extend the range of geometries for which analytic approximations may be used by shield design engineers to make rapid scoping studies and check more extensive calculations for reasonableness. These formulas can be used to support skeptical, independent evaluations and are also valuable teaching tools for introducing shield designers to complex shield analyses.
Second post-Newtonian approximation of Einstein-aether theory
Xie Yi; Huang Tianyi
2008-06-15
In this paper, second post-Newtonian approximation of Einstein-aether theory is obtained by Chandrasekhar's approach. Five parametrized post-Newtonian parameters in first post-Newtonian approximation are presented after a time transformation and they are identical with previous works, in which {gamma}=1, {beta}=1, and two preferred-frame parameters remain. Meanwhile, in second post-Newtonian approximation, a parameter, which represents third order nonlinearity for gravity, is zero--the same as in general relativity. For an application for future deep space laser ranging missions, we reduce the metric coefficients for light propagation in a case of N point masses as a simplified model of the Solar System. The resulting light deflection angle in second post-Newtonian approximation poses another constraint on the Einstein-aether theory.
Exact and approximate Kohn-Sham potentials in ensemble density...
Office of Scientific and Technical Information (OSTI)
Title: Exact and approximate Kohn-Sham potentials in ensemble density-functional theory Authors: Yang, Zeng-hui ; Trail, John R. ; Pribram-Jones, Aurora ; Burke, Kieron ; Needs, ...
Integral approximations to classical diffusion and smoothed particle hydrodynamics
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Du, Qiang; Lehoucq, R. B.; Tartakovsky, A. M.
2014-12-31
The contribution of the paper is the approximation of a classical diffusion operator by an integral equation with a volume constraint. A particular focus is on classical diffusion problems associated with Neumann boundary conditions. By exploiting this approximation, we can also approximate other quantities such as the flux out of a domain. Our analysis of the model equation on the continuum level is closely related to the recent work on nonlocal diffusion and peridynamic mechanics. In particular, we elucidate the role of a volumetric constraint as an approximation to a classical Neumann boundary condition in the presence of physical boundary.more » The volume-constrained integral equation then provides the basis for accurate and robust discretization methods. As a result, an immediate application is to the understanding and improvement of the Smoothed Particle Hydrodynamics (SPH) method.« less
Quasiparticle random-phase approximation with interactions from the
Office of Scientific and Technical Information (OSTI)
Similarity Renormalization Group (Journal Article) | SciTech Connect Quasiparticle random-phase approximation with interactions from the Similarity Renormalization Group Citation Details In-Document Search Title: Quasiparticle random-phase approximation with interactions from the Similarity Renormalization Group Authors: Hergert, H. ; Papakonstantinou, P. ; Roth, R. Publication Date: 2011-06-16 OSTI Identifier: 1099608 Type: Publisher's Accepted Manuscript Journal Name: Physical Review C
Summation by Parts Finite Difference Approximations for Seismic and
Office of Scientific and Technical Information (OSTI)
Seismo-Acoustic Computations (Conference) | SciTech Connect Conference: Summation by Parts Finite Difference Approximations for Seismic and Seismo-Acoustic Computations Citation Details In-Document Search Title: Summation by Parts Finite Difference Approximations for Seismic and Seismo-Acoustic Computations Authors: Sjogreen, B ; Petersson, N A Publication Date: 2014-08-19 OSTI Identifier: 1165780 Report Number(s): LLNL-PROC-659087 DOE Contract Number: DE-AC52-07NA27344 Resource Type:
Variational principles with Pad approximants for tearing mode analysis
Cole, Andrew J.; Finn, John M.
2014-03-15
Tearing modes occur in several distinct physical regimes, and it is often important to compute the inner layer response for these modes with various effects. There is a need for an approximate and efficient method of solving the inner layer equations in all these regimes. In this paper, we introduce a method of solving the inner layer equations based on using a variational principle with Pad approximants. For all the regimes considered, the main layer equations to be solved are inhomogeneous, and Pad approximants give a convenient and efficient method of satisfying the correct asymptotic behavior at the edge of the layer. Results using this variational principlePad approximant method in three of these regimes is presented. These regimes are the constant-? resistive-inertial (RI) regime, the constant-? viscoresistive regime, and the non-constant-? inviscid tearing regime. The last regime includes the constant-? RI regime and the inertial regime. The results show that reasonable accuracy can be obtained very efficiently with Pad approximants having a small number of parameters.
Approximate Bisimulation-Based Reduction of Power System Dynamic Models
Stankovic, AM; Dukic, SD; Saric, AT
2015-05-01
In this paper we propose approximate bisimulation relations and functions for reduction of power system dynamic models in differential- algebraic (descriptor) form. The full-size dynamic model is obtained by linearization of the nonlinear transient stability model. We generalize theoretical results on approximate bisimulation relations and bisimulation functions, originally derived for a class of constrained linear systems, to linear systems in descriptor form. An algorithm for transient stability assessment is proposed and used to determine whether the power system is able to maintain the synchronism after a large disturbance. Two benchmark power systems are used to illustrate the proposed algorithm and to evaluate the applicability of approximate bisimulation relations and bisimulation functions for reduction of the power system dynamic models.
Trigonometric Pade approximants for functions with regularly decreasing Fourier coefficients
Labych, Yuliya A; Starovoitov, Alexander P [Gomel State University, Gomel (Belarus)
2009-08-31
Sufficient conditions describing the regular decrease of the coefficients of a Fourier series f(x)=a{sub 0}/2 + {sigma} a{sub n} cos kx are found which ensure that the trigonometric Pade approximants {pi}{sup t}{sub n,m}(x;f) converge to the function f in the uniform norm at a rate which coincides asymptotically with the highest possible one. The results obtained are applied to problems dealing with finding sharp constants for rational approximations. Bibliography: 31 titles.
On the approximation of crack shapes found during inservice inspection
Bhate, S.R.; Chawla, D.S.; Kushwaha, H.S.
1997-04-01
This paper addresses the characterization of axial internal flaw found during inservice inspection of a pipe. J-integral distribution for various flaw shapes is obtained using line spring finite, element method. The peak J-value and its distribution across the crack is found to be characteristic feature of each shape. The triangular shape yields peak J-value away from the center, the point of depth. The elliptic approximation results in large overestimate of J-value for unsymmetric flaws. Triangular approximation is recommended for such flaws so that further service can be obtained from the component.
Approximations of very weak solutions to boundary-value problems.
Berggren, Martin Olof
2003-03-01
Standard weak solutions to the Poisson problem on a bounded domain have square-integrable derivatives, which limits the admissible regularity of inhomogeneous data. The concept of solution may be further weakened in order to define solutions when data is rough, such as for inhomogeneous Dirichlet data that is only square-integrable over the boundary. Such very weak solutions satisfy a nonstandard variational form (u, v) = G(v). A Galerkin approximation combined with an approximation of the right-hand side G defines a finite-element approximation of the very weak solution. Applying conforming linear elements leads to a discrete solution equivalent to the text-book finite-element solution to the Poisson problem in which the boundary data is approximated by L{sub 2}-projections. The L{sub 2} convergence rate of the discrete solution is O(h{sub s}) for some s {element_of} (0,1/2) that depends on the shape of the domain, asserting a polygonal (two-dimensional) or polyhedral (three-dimensional) domain without slits and (only) square-integrable boundary data.
Thermal effects and sudden decay approximation in the curvaton scenario
Kitajima, Naoya; Takesako, Tomohiro; Yokoyama, Shuichiro; Langlois, David; Takahashi, Tomo E-mail: langlois@apc.univ-paris7.fr E-mail: takesako@icrr.u-tokyo.ac.jp
2014-10-01
We study the impact of a temperature-dependent curvaton decay rate on the primordial curvature perturbation generated in the curvaton scenario. Using the familiar sudden decay approximation, we obtain an analytical expression for the curvature perturbation after the decay of the curvaton. We then investigate numerically the evolution of the background and of the perturbations during the decay. We first show that the instantaneous transfer coefficient, related to the curvaton energy fraction at the decay, can be extended into a more general parameter, which depends on the net transfer of the curvaton energy into radiation energy or, equivalently, on the total entropy ratio after the complete curvaton decay. We then compute the curvature perturbation and compare this result with the sudden decay approximation prediction.
Doorway states in the random-phase approximation
De Pace, A.; Molinari, A.; Weidenmüller, H.A.
2014-12-15
By coupling a doorway state to a sea of random background states, we develop the theory of doorway states in the framework of the random-phase approximation (RPA). Because of the symmetry of the RPA equations, that theory is radically different from the standard description of doorway states in the shell model. We derive the Pastur equation in the limit of large matrix dimension and show that the results agree with those of matrix diagonalization in large spaces. The complexity of the Pastur equation does not allow for an analytical approach that would approximately describe the doorway state. Our numerical results display unexpected features: The coupling of the doorway state with states of opposite energy leads to strong mutual attraction.
COMPLEXITY & APPROXIMABILITY OF QUANTIFIED & STOCHASTIC CONSTRAINT SATISFACTION PROBLEMS
H. B. HUNT; M. V. MARATHE; R. E. STEARNS
2001-06-01
Let D be an arbitrary (not necessarily finite) nonempty set, let C be a finite set of constant symbols denoting arbitrary elements of D, and let S and T be an arbitrary finite set of finite-arity relations on D. We denote the problem of determining the satisfiability of finite conjunctions of relations in S applied to variables (to variables and symbols in C) by SAT(S) (by SATc(S).) Here, we study simultaneously the complexity of decision, counting, maximization and approximate maximization problems, for unquantified, quantified and stochastically quantified formulas. We present simple yet general techniques to characterize simultaneously, the complexity or efficient approximability of a number of versions/variants of the problems SAT(S), Q-SAT(S), S-SAT(S),MAX-Q-SAT(S) etc., for many different such D,C,S,T. These versions/variants include decision, counting, maximization and approximate maximization problems, for unquantified, quantified and stochastically quantified formulas. Our unified approach is based on the following two basic concepts: (i) strongly-local replacements/reductions and (ii) relational/algebraic representability. Some of the results extend the earlier results in [Pa85,LMP99,CF+93,CF+94] Our techniques and results reported here also provide significant steps towards obtaining dichotomy theorems, for a number of the problems above, including the problems MAX-Q-SAT(S), and MAX-S-SAT(S). The discovery of such dichotomy theorems, for unquantified formulas, has received significant recent attention in the literature [CF+93, CF+94, Cr95, KSW97]. Keywords: NP-hardness; Approximation Algorithms; PSPACE-hardness; Quantified and Stochastic Constraint Satisfaction Problems.
Crossing contours in the interacting boson approximation (IBA) symmetry triangle
McCutchan, E. A.; Casten, R. F.
2006-11-15
Constant contours of basic observables are discussed in the context of the interacting boson approximation (IBA) symmetry triangle. Contours that exhibit orthogonal crossing within the triangle are presented as a method for determining a set of parameter values for a particular nucleus and trajectories for isotopic chains. A set of contours that highlights a class of nuclei that are outside the two-parameter IBA-1 Hamitonian space is also presented.
COMPLEXITY&APPROXIMABILITY OF QUANTIFIED&STOCHASTIC CONSTRAINT SATISFACTION PROBLEMS
Hunt, H. B.; Marathe, M. V.; Stearns, R. E.
2001-01-01
Let D be an arbitrary (not necessarily finite) nonempty set, let C be a finite set of constant symbols denoting arbitrary elements of D, and let S and T be an arbitrary finite set of finite-arity relations on D. We denote the problem of determining the satisfiability of finite conjunctions of relations in S applied to variables (to variables and symbols in C) by SAT(S) (by SATc(S).) Here, we study simultaneously the complexity of decision, counting, maximization and approximate maximization problems, for unquantified, quantified and stochastically quantified formulas. We present simple yet general techniques to characterize simultaneously, the complexity or efficient approximability of a number of versions/variants of the problems SAT(S), Q-SAT(S), S-SAT(S),MAX-Q-SAT(S) etc., for many different such D,C ,S, T. These versions/variants include decision, counting, maximization and approximate maximization problems, for unquantified, quantified and stochastically quantified formulas. Our unified approach is based on the following two basic concepts: (i) strongly-local replacements/reductions and (ii) relational/algebraic represent ability. Some of the results extend the earlier results in [Pa85,LMP99,CF+93,CF+94O]u r techniques and results reported here also provide significant steps towards obtaining dichotomy theorems, for a number of the problems above, including the problems MAX-&-SAT( S), and MAX-S-SAT(S). The discovery of such dichotomy theorems, for unquantified formulas, has received significant recent attention in the literature [CF+93,CF+94,Cr95,KSW97
Compton scattering from positronium and validity of the impulse approximation
Kaliman, Z.; Pisk, K.; Pratt, R. H.
2011-05-15
The cross sections for Compton scattering from positronium are calculated in the range from 1 to 100 keV incident photon energy. The calculations are based on the A{sup 2} term of the photon-electron or photon-positron interaction. Unlike in hydrogen, the scattering occurs from two centers and the interference effect plays an important role for energies below 8 keV. Because of the interference, the criterion for validity of the impulse approximation for positronium is more restrictive compared to that for hydrogen.
Multigroup Free-atom Doppler-broadening Approximation. Experiment
Gray, Mark Girard
2015-11-06
The multigroup energy Doppler-broadening approximation agrees with continuous energy Dopplerbroadening generally to within ten percent for the total cross sections of ^{1}H,^{ 56}Fe, and ^{235}U at 250 lanl. Although this is probably not good enough for broadening from room temperature through the entire temperature range in production use, it is better than any interpolation scheme between temperatures proposed to date, and may be good enough for extrapolation from high temperatures. The method deserves further study since additional improvements are possible.
A multiscale two-point flux-approximation method
Myner, Olav Lie, Knut-Andreas
2014-10-15
A large number of multiscale finite-volume methods have been developed over the past decade to compute conservative approximations to multiphase flow problems in heterogeneous porous media. In particular, several iterative and algebraic multiscale frameworks that seek to reduce the fine-scale residual towards machine precision have been presented. Common for all such methods is that they rely on a compatible primaldual coarse partition, which makes it challenging to extend them to stratigraphic and unstructured grids. Herein, we propose a general idea for how one can formulate multiscale finite-volume methods using only a primal coarse partition. To this end, we use two key ingredients that are computed numerically: (i) elementary functions that correspond to flow solutions used in transmissibility upscaling, and (ii) partition-of-unity functions used to combine elementary functions into basis functions. We exemplify the idea by deriving a multiscale two-point flux-approximation (MsTPFA) method, which is robust with regards to strong heterogeneities in the permeability field and can easily handle general grids with unstructured fine- and coarse-scale connections. The method can easily be adapted to arbitrary levels of coarsening, and can be used both as a standalone solver and as a preconditioner. Several numerical experiments are presented to demonstrate that the MsTPFA method can be used to solve elliptic pressure problems on a wide variety of geological models in a robust and efficient manner.
Approximate Weighted Matching On Emerging Manycore and Multithreaded Architectures
Halappanavar, Mahantesh; Feo, John T.; Villa, Oreste; Tumeo, Antonino; Pothen, Alex
2012-11-30
Graph matching is a prototypical combinatorial problem with many applications in computer science and scientific computing, but algorithms for computing optimal matchings are challenging to parallelize. Approximate matching algorithms provide an alternate route for parallelization, and in many contexts compute near-optimal matchings for large-scale graphs. We present sharedmemory parallel implementations for computing half-approximate weighted matching on state-of-the-art multicore (Intel Nehalem and AMD Magny-Cours), manycore (Nvidia Tesla and Nvidia Fermi) and massively multithreaded (Cray XMT) platforms. We provide two implementations: the first implementation uses shared work queues, and is suited to all these platforms; the second implementation is based on dataflow principles, and exploits the architectural features of the Cray XMT. Using a carefully chosen dataset that exhibits characteristics from a wide range of real-world applications, we show scalable performance across different platforms. In particular, for one instance of the input, an R-MAT graph (RMAT-G), we show speedups of: about 32 on 48 cores of an AMD Magny-Cours; 7 on 8 cores of Intel Nehalem; 3 on Nvidia Tesla and 10 on Nvidia Fermi relative to one core of Intel Nehalem; and 60 on 128 processors of Cray XMT. We demonstrate good weak and strong scaling for graphs with up to a billion edges using up to 12, 800 threads. Given the breadth of this work, we focus on simplicity and portability of software rather than excessive fine-tuning for each platform. To the best of our knowledge, this is the first such large-scale study of the half-approximate weighted matching problem on shared-memory platforms. Driven by the critical enabling role of combinatorial algorithms such as matching in scientific computing and the emergence of informatics applications, there is a growing demand to support irregular computations on current and future computing platforms. In this context, we evaluate the capability of emerging multithreaded platforms to tolerate latency induced by irregular memory access patterns, and to support fine-grained parallelism via light-weight synchronization mechanisms. By contrasting the architectural features of these platforms against the Cray XMT, which is specifically designed to support irregular memory-intensive applications, we delineate the impact of these choices on performance.
Bonatsos, Dennis; Karampagia, S.; Casten, R. F.
2011-05-15
Using a contraction of the SU(3) algebra to the algebra of the rigid rotator in the large-boson-number limit of the interacting boson approximation (IBA) model, a line is found inside the symmetry triangle of the IBA, along which the SU(3) symmetry is preserved. The line extends from the SU(3) vertex to near the critical line of the first-order shape/phase transition separating the spherical and prolate deformed phases, and it lies within the Alhassid-Whelan arc of regularity, the unique valley of regularity connecting the SU(3) and U(5) vertices in the midst of chaotic regions. In addition to providing an explanation for the existence of the arc of regularity, the present line represents an example of an analytically determined approximate symmetry in the interior of the symmetry triangle of the IBA. The method is applicable to algebraic models possessing subalgebras amenable to contraction. This condition is equivalent to algebras in which the equilibrium ground state and its rotational band become energetically isolated from intrinsic excitations, as typified by deformed solutions to the IBA for large numbers of valence nucleons.
Surface wake in the random-phase approximation
Garcia de Abajo, F.J. ); Echenique, P.M. )
1993-11-01
The scalar-electric-potential distribution set up by an ion traveling in the vicinity of a plane solid-vacuum interface, that is, the surface-wake potential, is investigated with the specular-reflection model to describe the response of the surface and with the random-phase approximation for the dielectric function of the bulk material. This permits us to address the study of the low-velocity surface wake: the static potential is found to have a dip at the position of the ion; that dip is shifted towards the direction opposite to the velocity vector for velocities smaller than the threshold of creation of plasmons ([approx]1.3[ital v][sub [ital F
Mixed series in ultraspherical polynomials and their approximation properties
Sharapudinov, I I
2003-04-30
New (mixed) series in ultraspherical polynomials P{sub n}{sup {alpha}}{sup ,{alpha}}(x) are introduced. The basic difference between a mixed series in the polynomials P{sub n}{sup {alpha}}{sup ,{alpha}}(x) and a Fourier series in the same polynomials is as follows: a mixed series contains terms of the form (2{sup r}f{sub r,k}{sup {alpha}})/(k+2{alpha}){sup [r]}) P{sub k+r}{sup {alpha}}{sup -r,{alpha}}{sup -r}(x), where 1{<=}r is an integer and f{sub r,k}{sup {alpha}} is the kth Fourier coefficient of the derivative f{sup (r)}(x) with respect to the ultraspherical polynomials P{sub k}{sup {alpha}}{sup ,{alpha}}(x). It is shown that the partial sums Y{sub n+2r}{sup {alpha}}(f,x) of a mixed series in the polynomial P{sub k}{sup {alpha}}{sup ,{alpha}}(x) contrast favourably with Fourier sums S{sub n}{sup {alpha}}(f,x) in the same polynomials as regards their approximation properties in classes of differentiable and analytic functions, and also in classes of functions of variable smoothness. In particular, the Y{sub n+2r}{sup {alpha}}(f,x) can be used for the simultaneous approximation of a function f(x) and its derivatives of orders up to (r- 1), whereas the S{sub n}{sup {alpha}}(f,x) are not suitable for this purpose.
Markov Jump Processes Approximating a Non-Symmetric Generalized Diffusion
Limic, Nedzad
2011-08-15
Consider a non-symmetric generalized diffusion X( Dot-Operator ) in Double-Struck-Capital-R {sup d} determined by the differential operator A(x) = -{Sigma}{sub ij} {partial_derivative}{sub i}a{sub ij}(x){partial_derivative}{sub j} + {Sigma}{sub i} b{sub i}(x){partial_derivative}{sub i}. In this paper the diffusion process is approximated by Markov jump processes X{sub n}( Dot-Operator ), in homogeneous and isotropic grids G{sub n} Subset-Of Double-Struck-Capital-R {sup d}, which converge in distribution in the Skorokhod space D([0,{infinity}), Double-Struck-Capital-R {sup d}) to the diffusion X( Dot-Operator ). The generators of X{sub n}( Dot-Operator ) are constructed explicitly. Due to the homogeneity and isotropy of grids, the proposed method for d{>=}3 can be applied to processes for which the diffusion tensor {l_brace}a{sub ij}(x){r_brace}{sub 11}{sup dd} fulfills an additional condition. The proposed construction offers a simple method for simulation of sample paths of non-symmetric generalized diffusion. Simulations are carried out in terms of jump processes X{sub n}( Dot-Operator ). For piece-wise constant functions a{sub ij} on Double-Struck-Capital-R {sup d} and piece-wise continuous functions a{sub ij} on Double-Struck-Capital-R {sup 2} the construction and principal algorithm are described enabling an easy implementation into a computer code.
Approximate models for the ion-kinetic regime ininertial-confinement...
Office of Scientific and Technical Information (OSTI)
Approximate models for the ion-kinetic regime in inertial-confinement-fusion capsule implosions Citation Details In-Document Search Title: Approximate models for the ion-kinetic ...
Federal Staffing Guide for Project Management
Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]
2010-06-03
This Guide provides an approach to determining the appropriate level and type of federal personnel needed to effectively plan, direct, and oversee project execution. Superseded by DOE G 413.3-19 Admin Chg 1.
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
space, get 33%-50% power savings Implemented These Ideas in Crayon System Crayon Software Architecture Cairo is a standard, widely-used graphics API Firefox, Graphviz, Poppler, ......
Wu, H.; Wang, R.; Liu, Y.; Zhao, E. , P.O. Box 8730, Beijing Physics Department, Suzhou University, Suzhou Institute of High Energy Physics, Academia Sinica, Beijing Institute of Theoretical Physics, Academia Sinica, Beijing )
1992-04-01
The double-charge-exchange (DCX) reaction with Ca isotopes as targets is studied by employing the interacting-boson approximation (IBA). A comparison between the IBA and the shell-model results shows that IBA is a good approximation of the shell model in describing the DCX reactions.
Convergence properties of polynomial chaos approximations for L2 random variables.
Field, Richard V., Jr. (.,; .); Grigoriu, Mircea (Cornell University, Ithaca, NY)
2007-03-01
Polynomial chaos (PC) representations for non-Gaussian random variables are infinite series of Hermite polynomials of standard Gaussian random variables with deterministic coefficients. For calculations, the PC representations are truncated, creating what are herein referred to as PC approximations. We study some convergence properties of PC approximations for L{sub 2} random variables. The well-known property of mean-square convergence is reviewed. Mathematical proof is then provided to show that higher-order moments (i.e., greater than two) of PC approximations may or may not converge as the number of terms retained in the series, denoted by n, grows large. In particular, it is shown that the third absolute moment of the PC approximation for a lognormal random variable does converge, while moments of order four and higher of PC approximations for uniform random variables do not converge. It has been previously demonstrated through numerical study that this lack of convergence in the higher-order moments can have a profound effect on the rate of convergence of the tails of the distribution of the PC approximation. As a result, reliability estimates based on PC approximations can exhibit large errors, even when n is large. The purpose of this report is not to criticize the use of polynomial chaos for probabilistic analysis but, rather, to motivate the need for further study of the efficacy of the method.
Model study of the sign problem in the mean-field approximation (Journal
Office of Scientific and Technical Information (OSTI)
Article) | SciTech Connect Model study of the sign problem in the mean-field approximation Citation Details In-Document Search Title: Model study of the sign problem in the mean-field approximation We consider the sign problem of the fermion determinant at finite density. It is unavoidable not only in Monte Carlo simulations on the lattice but in the mean-field approximation as well. A simple model deriving from quantum chromodynamics (QCD) in the double limit of large quark mass and large
First and second order approximations to stage numbers in multicomponent enrichment cascades
Scopatz, A.
2013-07-01
This paper describes closed form, Taylor series approximations to the number product stages in a multicomponent enrichment cascade. Such closed form approximations are required when a symbolic, rather than a numeric, algorithm is used to compute the optimal cascade state. Both first and second order approximations were implemented. The first order solution was found to be grossly incorrect, having the wrong functional form over the entire domain. On the other hand, the second order solution shows excellent agreement with the 'true' solution over the domain of interest. An implementation of the symbolic, second order solver is available in the free and open source PyNE library. (authors)
DOE Seeks to Invest Approximately $1.3 Billion to Commercialize CCS
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Technology | Department of Energy Approximately $1.3 Billion to Commercialize CCS Technology DOE Seeks to Invest Approximately $1.3 Billion to Commercialize CCS Technology June 24, 2008 - 2:15pm Addthis Funding Opportunity Announcement Solicits Applications for Restructured FutureGen Program WASHINGTON, DC - The U.S. Department of Energy (DOE) today issued a Funding Opportunity Announcement (FOA) to invest in multiple commercial-scale Integrated Gasification Combined Cycle (IGCC) or other
Testing the Monte Carlo-mean field approximation in the one-band Hubbard
Office of Scientific and Technical Information (OSTI)
model (Journal Article) | SciTech Connect Testing the Monte Carlo-mean field approximation in the one-band Hubbard model Citation Details In-Document Search Title: Testing the Monte Carlo-mean field approximation in the one-band Hubbard model Authors: Mukherjee, Anamitra ; Patel, Niravkumar D. ; Dong, Shuai ; Johnston, Steve ; Moreo, Adriana ; Dagotto, Elbio Publication Date: 2014-11-21 OSTI Identifier: 1180511 Type: Publisher's Accepted Manuscript Journal Name: Physical Review B Additional
Pusa, M.; Leppaenen, J.
2012-07-01
The Chebyshev Rational Approximation Method (CRAM) has been recently introduced by the authors for solving the burnup equations with excellent results. This method has been shown to be capable of simultaneously solving an entire burnup system with thousands of nuclides both accurately and efficiently. The method was prompted by an analysis of the spectral properties of burnup matrices and it can be characterized as the best rational approximation on the negative real axis. The coefficients of the rational approximation are fixed and have been reported for various approximation orders. In addition to these coefficients, implementing the method only requires a linear solver. This paper describes an efficient method for solving the linear systems associated with the CRAM approximation. The introduced direct method is based on sparse Gaussian elimination where the sparsity pattern of the resulting upper triangular matrix is determined before the numerical elimination phase. The stability of the proposed Gaussian elimination method is discussed based on considering the numerical properties of burnup matrices. Suitable algorithms are presented for computing the symbolic factorization and numerical elimination in order to facilitate the implementation of CRAM and its adoption into routine use. The accuracy and efficiency of the described technique are demonstrated by computing the CRAM approximations for a large test case with over 1600 nuclides. (authors)
Brett, Tobias Galla, Tobias
2014-03-28
We present a heuristic derivation of Gaussian approximations for stochastic chemical reaction systems with distributed delay. In particular, we derive the corresponding chemical Langevin equation. Due to the non-Markovian character of the underlying dynamics, these equations are integro-differential equations, and the noise in the Gaussian approximation is coloured. Following on from the chemical Langevin equation, a further reduction leads to the linear-noise approximation. We apply the formalism to a delay variant of the celebrated Brusselator model, and show how it can be used to characterise noise-driven quasi-cycles, as well as noise-triggered spiking. We find surprisingly intricate dependence of the typical frequency of quasi-cycles on the delay period.
Relativistic equation of state at subnuclear densities in the Thomas-Fermi approximation
Zhang, Z. W.; Shen, H., E-mail: shennankai@gmail.com [School of Physics, Nankai University, Tianjin 300071 (China)
2014-06-20
We study the non-uniform nuclear matter using the self-consistent Thomas-Fermi approximation with a relativistic mean-field model. The non-uniform matter is assumed to be composed of a lattice of heavy nuclei surrounded by dripped nucleons. At each temperature T, proton fraction Y{sub p} , and baryon mass density ? {sub B}, we determine the thermodynamically favored state by minimizing the free energy with respect to the radius of the Wigner-Seitz cell, while the nucleon distribution in the cell can be determined self-consistently in the Thomas-Fermi approximation. A detailed comparison is made between the present results and previous calculations in the Thomas-Fermi approximation with a parameterized nucleon distribution that has been adopted in the widely used Shen equation of state.
Jin, Jinshuang; Li, Jun; Liu, Yu; Li, Xin-Qi; Yan, YiJing
2014-06-28
Beyond the second-order Born approximation, we propose an improved master equation approach to quantum transport under self-consistent Born approximation. The basic idea is to replace the free Green's function in the tunneling self-energy diagram by an effective reduced propagator under the Born approximation. This simple modification has remarkable consequences. It not only recovers the exact results for quantum transport through noninteracting systems under arbitrary voltages, but also predicts the challenging nonequilibrium Kondo effect. Compared to the nonequilibrium Green's function technique that formulates the calculation of specific correlation functions, the master equation approach contains richer dynamical information to allow more efficient studies for such as the shot noise and full counting statistics.
Simulating higher-dimensional geometries in GADRAS using approximate one-dimensional solutions.
Thoreson, Gregory G.; Mitchell, Dean James; Harding, Lee T.
2013-02-01
The Gamma Detector Response and Analysis Software (GADRAS) software package is capable of simulating the radiation transport physics for one-dimensional models. Spherical shells are naturally one-dimensional, and have been the focus of development and benchmarking. However, some objects are not spherical in shape, such as cylinders and boxes. These are not one-dimensional. Simulating the radiation transport in two or three dimensions is unattractive because of the extra computation time required. To maintain computational efficiency, higher-dimensional geometries require approximations to simulate them in one-dimension. This report summarizes the theory behind these approximations, tests the theory against other simulations, and compares the results to experimental data. Based on the results, it is recommended that GADRAS users always attempt to approximate reality using spherical shells. However, if fissile material is present, it is imperative that the shape of the one-dimensional model matches the fissile material, including the use of slab and cylinder geometry.
On the scalability of the Albany/FELIX first-order Stokes approximation ice
Office of Scientific and Technical Information (OSTI)
sheet solver for large-scale simulations of the Greenland and Antarctic ice sheets. (Conference) | SciTech Connect On the scalability of the Albany/FELIX first-order Stokes approximation ice sheet solver for large-scale simulations of the Greenland and Antarctic ice sheets. Citation Details In-Document Search Title: On the scalability of the Albany/FELIX first-order Stokes approximation ice sheet solver for large-scale simulations of the Greenland and Antarctic ice sheets. Abstract not
On the approximations of the distribution function of fusion alpha particles
Bilato, R. Brambilla, M.; Poli, E.
2014-10-15
The solution of the drift-kinetic equation for fusion-born alpha particles is derived in the limit of dominant parallel streaming, and it is related to the usual slowing-down distribution function. The typical approximations of the fast tail of fusion-born alpha particles are briefly compared and discussed. In particular, approximating the distribution function of fast-alpha particles with an equivalent Maxwellian is inaccurate to describe absorption of radio-frequency waves in the ion-cyclotron range of frequencies.
Zhou, Zhennan
2014-09-01
In this paper, we approximate the semi-classical Schrdinger equation in the presence of electromagnetic field by the Hagedorn wave packets approach. By operator splitting, the Hamiltonian is divided into the modified part and the residual part. The modified Hamiltonian, which is the main new idea of this paper, is chosen by the fact that Hagedorn wave packets are localized both in space and momentum so that a crucial correction term is added to the truncated Hamiltonian, and is treated by evolving the parameters associated with the Hagedorn wave packets. The residual part is treated by a Galerkin approximation. We prove that, with the modified Hamiltonian only, the Hagedorn wave packets dynamics give the asymptotic solution with error O(?{sup 1/2}), where ? is the scaled Planck constant. We also prove that, the Galerkin approximation for the residual Hamiltonian can reduce the approximation error to O(?{sup k/2}), where k depends on the number of Hagedorn wave packets added to the dynamics. This approach is easy to implement, and can be naturally extended to the multidimensional cases. Unlike the high order Gaussian beam method, in which the non-constant cut-off function is necessary and some extra error is introduced, the Hagedorn wave packets approach gives a practical way to improve accuracy even when ? is not very small.
Hydrogen atom excitation in intense attosecond laser field: Gauge dependence of dipole approximation
Aldarmaa, Ch. E-mail: l-xemee@yahoo.com; Khenmedekh, L. E-mail: l-xemee@yahoo.com; Lkhagva, O.
2014-03-24
It is assumed that, the atomic excitations probability can be calculated using first order perturbation theory and dipole approximations. The validity of the dipole approximations had been examined by comparing the results with the results obtained by exact calculations within the first order perturbation theory[2]. Figure 1 shows the time dependence of the transition probability in the dipole approximation. From these plots it is obvious that, the probabilities obtained in the length gauge are higher than that in the velocity gauge, in the interaction period (??/2
Weber, J. W.; Bol, A. A. [Department of Applied Physics, Eindhoven University of Technology, Den Dolech 2, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Sanden, M. C. M. van de [Department of Applied Physics, Eindhoven University of Technology, Den Dolech 2, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Dutch Institute for Fundamental Energy Research (DIFFER), Nieuwegein (Netherlands)
2014-07-07
This work presents an improved thin film approximation to extract the optical conductivity from infrared transmittance in a simple yet accurate way. This approximation takes into account the incoherent reflections from the backside of the substrate. These reflections are shown to have a significant effect on the extracted optical conductivity and hence on derived parameters as carrier mobility and density. By excluding the backside reflections, the error for these parameters for typical chemical vapor deposited (CVD) graphene on a silicon substrate can be as high as 17% and 45% for the carrier mobility and density, respectively. For the mid- and near-infrared, the approximation can be simplified such that the real part of the optical conductivity is extracted without the need for a parameterization of the optical conductivity. This direct extraction is shown for Fourier transform infrared (FTIR) transmittance measurements of CVD graphene on silicon in the photon energy range of 3707000?cm{sup ?1}. From the real part of the optical conductivity, the carrier density, mobility, and number of graphene layers are determined but also residue, originating from the graphene transfer, is detected. FTIR transmittance analyzed with the improved thin film approximation is shown to be a non-invasive, easy, and accurate measurement and analysis method for assessing the quality of graphene and can be used for other 2-D materials.
A New 2D-Transport, 1D-Diffusion Approximation of the Boltzmann Transport equation
Larsen, Edward
2013-06-17
The work performed in this project consisted of the derivation, implementation, and testing of a new, computationally advantageous approximation to the 3D Boltz- mann transport equation. The solution of the Boltzmann equation is the neutron flux in nuclear reactor cores and shields, but solving this equation is difficult and costly. The new 2D/1D approximation takes advantage of a special geometric feature of typical 3D reactors to approximate the neutron transport physics in a specific (ax- ial) direction, but not in the other two (radial) directions. The resulting equation is much less expensive to solve computationally, and its solutions are expected to be sufficiently accurate for many practical problems. In this project we formulated the new equation, discretized it using standard methods, developed a stable itera- tion scheme for solving the equation, implemented the new numerical scheme in the MPACT code, and tested the method on several realistic problems. All the hoped- for features of this new approximation were seen. For large, difficult problems, the resulting 2D/1D solution is highly accurate, and is calculated about 100 times faster than a 3D discrete ordinates simulation.
Litvinova, E.; Ring, P.; Tselyaev, V.; Langanke, K.
2009-05-15
Theoretical studies of low-lying dipole strength in even-even spherical nuclei within the relativistic quasiparticle time blocking approximation (RQTBA) are presented. The RQTBA developed recently as an extension of the self-consistent relativistic quasiparticle random-phase approximation (RQRPA) enables one to investigate the effects of the coupling of two-quasiparticle excitations to collective vibrations within a fully consistent calculation scheme based on covariant energy density functional theory. Dipole spectra of even-even {sup 130}Sn-{sup 140}Sn and {sup 68}Ni-{sup 78}Ni isotopes calculated within both RQRPA and RQTBA show two well-separated collective structures: the higher lying giant dipole resonance and the lower lying pygmy dipole resonance, which can be identified by the different behavior of the transition densities of states in these regions.
Two-component hybrid time-dependent density functional theory within the Tamm-Dancoff approximation
Khn, Michael; Weigend, Florian
2015-01-21
We report the implementation of a two-component variant of time-dependent density functional theory (TDDFT) for hybrid functionals that accounts for spin-orbit effects within the Tamm-Dancoff approximation (TDA) for closed-shell systems. The influence of the admixture of Hartree-Fock exchange on excitation energies is investigated for several atoms and diatomic molecules by comparison to numbers for pure density functionals obtained previously [M. Khn and F. Weigend, J. Chem. Theory Comput. 9, 5341 (2013)]. It is further related to changes upon switching to the local density approximation or using the full TDDFT formalism instead of TDA. Efficiency is demonstrated for a comparably large system, Ir(ppy){sub 3} (61 atoms, 1501 basis functions, lowest 10 excited states), which is a prototype molecule for organic light-emitting diodes, due to its spin-forbidden triplet-singlet transition.
Study of multiband disordered systems using the typical medium dynamical cluster approximation
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Zhang, Yi; Terletska, Hanna; Moore, C.; Ekuma, Chinedu; Tam, Ka-Ming; Berlijn, Tom; Ku, Wei; Moreno, Juana; Jarrell, Mark
2015-11-06
We generalize the typical medium dynamical cluster approximation to multiband disordered systems. Using our extended formalism, we perform a systematic study of the nonlocal correlation effects induced by disorder on the density of states and the mobility edge of the three-dimensional two-band Anderson model. We include interband and intraband hopping and an intraband disorder potential. Our results are consistent with those obtained by the transfer matrix and the kernel polynomial methods. We also apply the method to KxFe2-ySe2 with Fe vacancies. Despite the strong vacancy disorder and anisotropy, we find the material is not an Anderson insulator. Moreover our resultsmore » demonstrate the application of the typical medium dynamical cluster approximation method to study Anderson localization in real materials.« less
Double-hybrid density-functional theory with meta-generalized-gradient approximations
Souvi, Sidi M. O. Sharkas, Kamal; Toulouse, Julien; CNRS, UMR 7616, Laboratoire de Chimie Thorique, F-75005 Paris
2014-02-28
We extend the previously proposed one-parameter double-hybrid density-functional theory [K. Sharkas, J. Toulouse, and A. Savin, J. Chem. Phys. 134, 064113 (2011)] to meta-generalized-gradient-approximation (meta-GGA) exchange-correlation density functionals. We construct several variants of one-parameter double-hybrid approximations using the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA functional and test them on test sets of atomization energies and reaction barrier heights. The most accurate variant uses the uniform coordinate scaling of the density and of the kinetic energy density in the correlation functional, and improves over both standard Kohn-Sham TPSS and second-order Mller-Plesset calculations.
Abdelaziz, Omar; Shrestha, Som S
2014-01-01
Refrigerants are the life-blood of vapor compression systems that are widely used in Heating, Ventilation, Air-Conditioning, and Refrigeration (HVAC&R) applications. The HVAC&R community is currently transitioning from main-stream refrigerants that have high Global Warming Potential (GWP) to alternative lower-GWP refrigerants. During this transition, it is important to account for the life cycle climate performance of alternative refrigerants since their performance will be different than that of higher-GWP refrigerants. This requires the evaluation of the system performance with the new refrigerants. Unfortunately, it is extremely difficult to predict the realistic performance of new alternative refrigerants without experimental validation. One of the main challenges in this regard is modeling the compressor performance with high fidelity due to the complex interaction of operating parameters, geometry, boundary conditions, and fluid properties. High fidelity compressor models are computationally expensive and require significant pre-processing to evaluate the performance of alternative refrigerants. This paper presents a new approach to modeling compressor performance when alternative refrigerants are used. The new modeling concept relies on using existing compressor performance to create an approximate model that captures the dependence of compressor performance on key operating parameters and fluid properties. The model can be built using a myriad of approximation techniques. This paper focuses on Kriging-based techniques to develop higher fidelity approximate compressor models. Baseline and at least one alternative refrigerant performance data are used to build the model. The model accuracy was evaluated by comparing the model results with compressor performance data using other refrigerants. Preliminary results show that the approximate model can predict the compressor mass flow rate and power consumption within 5%.
Aggelen, Helen van; Department of Chemistry, Duke University, Durham, North Carolina 27708 ; Yang, Yang; Yang, Weitao
2014-05-14
Despite their unmatched success for many applications, commonly used local, semi-local, and hybrid density functionals still face challenges when it comes to describing long-range interactions, static correlation, and electron delocalization. Density functionals of both the occupied and virtual orbitals are able to address these problems. The particle-hole (ph-) Random Phase Approximation (RPA), a functional of occupied and virtual orbitals, has recently known a revival within the density functional theory community. Following up on an idea introduced in our recent communication [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013)], we formulate more general adiabatic connections for the correlation energy in terms of pairing matrix fluctuations described by the particle-particle (pp-) propagator. With numerical examples of the pp-RPA, the lowest-order approximation to the pp-propagator, we illustrate the potential of density functional approximations based on pairing matrix fluctuations. The pp-RPA is size-extensive, self-interaction free, fully anti-symmetric, describes the strong static correlation limit in H{sub 2}, and eliminates delocalization errors in H{sub 2}{sup +} and other single-bond systems. It gives surprisingly good non-bonded interaction energies competitive with the ph-RPA with the correct R{sup ?6} asymptotic decay as a function of the separation R, which we argue is mainly attributable to its correct second-order energy term. While the pp-RPA tends to underestimate absolute correlation energies, it gives good relative energies: much better atomization energies than the ph-RPA, as it has no tendency to underbind, and reaction energies of similar quality. The adiabatic connection in terms of pairing matrix fluctuation paves the way for promising new density functional approximations.
Dvirny, A. I.; Slyn'ko, V. I. E-mail: vitstab@ukr.net
2014-06-01
Inverse theorems to Lyapunov's direct method are established for quasihomogeneous systems of differential equations with impulsive action. Conditions for the existence of Lyapunov functions satisfying typical bounds for quasihomogeneous functions are obtained. Using these results, we establish conditions for an equilibrium of a nonlinear system with impulsive action to be stable, using the properties of a quasihomogeneous approximation to the system. The results are illustrated by an example of a large-scale system with homogeneous subsystems. Bibliography: 30 titles. (paper)
Accuracy considerations for Chebyshev rational approximation method (CRAM) in Burnup calculations
Pusa, M.
2013-07-01
The burnup equations can in principle be solved by computing the exponential of the burnup matrix. However, due to the difficult numerical characteristics of burnup matrices, the problem is extremely stiff and the matrix exponential solution has previously been considered infeasible for an entire burnup system containing over a thousand nuclides. It was recently discovered by the author that the eigenvalues of burnup matrices are generally located near the negative real axis, which prompted introducing the Chebyshev rational approximation method (CRAM) for solving the burnup equations. CRAM can be characterized as the best rational approximation on the negative real axis and it has been shown to be capable of simultaneously solving an entire burnup system both accurately and efficiently. In this paper, the accuracy of CRAM is further studied in the context of burnup equations. The approximation error is analyzed based on the eigenvalue decomposition of the burnup matrix. It is deduced that the relative accuracy of CRAM may be compromised if a nuclide concentration diminishes significantly during the considered time step. Numerical results are presented for two test cases, the first one representing a small burnup system with 36 nuclides and the second one a full a decay system with 1531 nuclides. (authors)
Liang, Faming; Cheng, Yichen; Lin, Guang
2014-06-13
Simulated annealing has been widely used in the solution of optimization problems. As known by many researchers, the global optima cannot be guaranteed to be located by simulated annealing unless a logarithmic cooling schedule is used. However, the logarithmic cooling schedule is so slow that no one can afford to have such a long CPU time. This paper proposes a new stochastic optimization algorithm, the so-called simulated stochastic approximation annealing algorithm, which is a combination of simulated annealing and the stochastic approximation Monte Carlo algorithm. Under the framework of stochastic approximation Markov chain Monte Carlo, it is shown that the new algorithm can work with a cooling schedule in which the temperature can decrease much faster than in the logarithmic cooling schedule, e.g., a square-root cooling schedule, while guaranteeing the global optima to be reached when the temperature tends to zero. The new algorithm has been tested on a few benchmark optimization problems, including feed-forward neural network training and protein-folding. The numerical results indicate that the new algorithm can significantly outperform simulated annealing and other competitors.
Harsij, Zeynab Mirza, Behrouz
2014-12-15
A helicity entangled tripartite state is considered in which the degree of entanglement is preserved in non-inertial frames. It is shown that Quantum Entanglement remains observer independent. As another measure of quantum correlation, Quantum Discord has been investigated. It is explicitly shown that acceleration has no effect on the degree of quantum correlation for the bipartite and tripartite helicity entangled states. Geometric Quantum Discord as a HilbertSchmidt distance is computed for helicity entangled states. It is shown that living in non-inertial frames does not make any influence on this distance, either. In addition, the analysis has been extended beyond single mode approximation to show that acceleration does not have any impact on the quantum features in the limit beyond the single mode. As an interesting result, while the density matrix depends on the right and left Unruh modes, the Negativity as a measure of Quantum Entanglement remains constant. Also, Quantum Discord does not change beyond single mode approximation. - Highlights: The helicity entangled states here are observer independent in non-inertial frames. It is explicitly shown that Quantum Discord for these states is observer independent. Geometric Quantum Discord is also not affected by acceleration increase. Extending to beyond single mode does not change the degree of entanglement. Beyond single mode approximation the degree of Quantum Discord is also preserved.
Explicit solutions of the radiative transport equation in the P{sub 3} approximation
Liemert, André Kienle, Alwin
2014-11-01
Purpose: Explicit solutions of the monoenergetic radiative transport equation in the P{sub 3} approximation have been derived which can be evaluated with nearly the same computational effort as needed for solving the standard diffusion equation (DE). In detail, the authors considered the important case of a semi-infinite medium which is illuminated by a collimated beam of light. Methods: A combination of the classic spherical harmonics method and the recently developed method of rotated reference frames is used for solving the P{sub 3} equations in closed form. Results: The derived solutions are illustrated and compared to exact solutions of the radiative transport equation obtained via the Monte Carlo (MC) method as well as with other approximated analytical solutions. It is shown that for the considered cases which are relevant for biomedical optics applications, the P{sub 3} approximation is close to the exact solution of the radiative transport equation. Conclusions: The authors derived exact analytical solutions of the P{sub 3} equations under consideration of boundary conditions for defining a semi-infinite medium. The good agreement to Monte Carlo simulations in the investigated domains, for example, in the steady-state and time domains, as well as the short evaluation time needed suggests that the derived equations can replace the often applied solutions of the diffusion equation for the homogeneous semi-infinite medium.
Kraisler, Eli; Kronik, Leeor
2014-05-14
The fundamental gap is a central quantity in the electronic structure of matter. Unfortunately, the fundamental gap is not generally equal to the Kohn-Sham gap of density functional theory (DFT), even in principle. The two gaps differ precisely by the derivative discontinuity, namely, an abrupt change in slope of the exchange-correlation energy as a function of electron number, expected across an integer-electron point. Popular approximate functionals are thought to be devoid of a derivative discontinuity, strongly compromising their performance for prediction of spectroscopic properties. Here we show that, in fact, all exchange-correlation functionals possess a derivative discontinuity, which arises naturally from the application of ensemble considerations within DFT, without any empiricism. This derivative discontinuity can be expressed in closed form using only quantities obtained in the course of a standard DFT calculation of the neutral system. For small, finite systems, addition of this derivative discontinuity indeed results in a greatly improved prediction for the fundamental gap, even when based on the most simple approximate exchange-correlation density functional the local density approximation (LDA). For solids, the same scheme is exact in principle, but when applied to LDA it results in a vanishing derivative discontinuity correction. This failure is shown to be directly related to the failure of LDA in predicting fundamental gaps from total energy differences in extended systems.
Shu, Yu-Chen, E-mail: ycshu@mail.ncku.edu.tw [Department of Mathematics, National Cheng Kung University, Tainan 701, Taiwan (China); Mathematics Division, National Center for Theoretical Sciences (South), Tainan 701, Taiwan (China); Chern, I-Liang, E-mail: chern@math.ntu.edu.tw [Department of Applied Mathematics, National Chiao Tung University, Hsin Chu 300, Taiwan (China); Department of Mathematics, National Taiwan University, Taipei 106, Taiwan (China); Mathematics Division, National Center for Theoretical Sciences (Taipei Office), Taipei 106, Taiwan (China); Chang, Chien C., E-mail: mechang@iam.ntu.edu.tw [Institute of Applied Mechanics, National Taiwan University, Taipei 106, Taiwan (China); Department of Mathematics, National Taiwan University, Taipei 106, Taiwan (China)
2014-10-15
Most elliptic interface solvers become complicated for complex interface problems at those exceptional points where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule ( (1D63)) which is double-helix shape and composed of hundreds of atoms.
DYNAMICAL SPIN SUSCEPTIBILITY IN THE TD-LDA AND QSGW APPROXIMATIONS
SCHILFGAARDE, MARK VAN; KOTANI, TAKAO
2012-10-15
Abstract. This project was aimed at building the transverse dynamical spin susceptibility with the TD-LDA and the recently-developed Quasparticle Self-Consisent Approximations, which determines an optimum quasiparticle picture in a self-consistent manner within the GW approximation. Our main results were published into two papers, (J. Phys. Cond. Matt. 20, 95214 (2008), and Phys. Rev. B83, 060404(R) (2011). In the first paper we present spin wave dispersions for MnO, NiO, and #11;-MnAs based on quasiparticle self-consistent GW approximation (QSGW). For MnO and NiO, QSGW results are in rather good agreement with experiments, in contrast to the LDA and LDA+U descriptions. For #11;-MnAs, we find a collinear ferromagnetic ground state in QSGW, while this phase is unstable in the LDA. In the second, we apply TD-LDA to the CaFeAs2 â?? the first attempt the first ab initio calculation of dynamical susceptibililty in a system with complex electronic structure Magnetic excitations in the striped phase of CaFe2As2 are studied as a function of local moment amplitude. We find a new kind of excitation: sharp resonances of Stoner-like (itinerant) excitations at energies comparable to the N?´eel temperature, originating largely from a narrow band of Fe d states near the Fermi level, and coexisting with more conventional (localized) spin waves. Both kinds of excitations can show multiple branches, highlighting the inadequacy of a description based on a localized spin model.
The extraordinary wave excitation in microwave gas breakdown in the adiabatic approximation
Ghorbanalilu, M.; Shokri, B.
2008-09-15
Making use of the electron distribution function formed in the interaction of high-frequency microwave (MW) pulsed fields with a rarefied neutral gas [M. Ghorbanalilu, Phys. Plasmas. 13, 102110 (2006)], the dielectric permittivity tensor of the produced plasma is derived under the condition that the ions are cold and nonmagnetized. According to the adiabatic approximation and using the dielectric permittivity tensor elements the dispersion relations for ordinary and extraordinary excited waves are found. The numerical solution of the dispersion relation shows that the extraordinary modes are unstable in such a nonequilibrium system. These modes are generated in a wide range of wavelengths by tuning the MW field amplitude and magnetic field strength.
Simplified approach to interacting boson approximation-2 calculations using Hamiltonian invariants
Chou, W.-T.; Zamfir, N. V.; Clark University, Worcester, Massachusetts 01610; National Institute of Physics and Nuclear Engineering, Bucharest, ; Casten, R. F.
2000-07-01
A systematic study of predictions of the interacting boson approximation (IBA)-2 model leads to the identification of two parameter invariants such that calculations with the same values of the invariants yield results that are identical in certain cases and show close similarities under a wider set of conditions. The invariants validate a much-used form of the IBA-2 Hamiltonian and provide a systematic method to simplify IBA-2 calculations by choosing a truncated Hamiltonian with the same invariant values as more general Hamiltonians. (c) 2000 The American Physical Society.
Proton-Nucleus Scattering Approximations and Implications for LHC Crystal Collimation
Noble, Robert; ,
2010-06-07
In particle accelerators, scattered protons with energies close to the incident particles may travel considerable distances with the beam before impacting on accelerator components downstream. To analyze such problems, angular deflection and energy loss of scattered particles are the main quantities to be simulated since these lead to changes in the beam's phase space distribution and particle loss. Simple approximations for nuclear scattering processes causing limited energy loss to high-energy protons traversing matter are developed which are suitable for rapid estimates and reduced-description Monte Carlo simulations. The implications for proton loss in the Large Hadron Collider due to nuclear scattering on collimation crystals are discussed.
Barrios, Dolores; Lopez, Guillermo L; Martinez-Finkelshtein, A; Torrano, Emilio
1999-04-30
The approximability of the resolvent of an operator induced by a band matrix by the resolvents of its finite-dimensional sections is studied. For bounded perturbations of self-adjoint matrices a positive result is obtained. The convergence domain of the sequence of resolvents can be described in this case in terms of matrices involved in the representation. This result is applied to tridiagonal complex matrices to establish conditions for the convergence of Chebyshev continued fractions on sets in the complex domain. In the particular case of compact perturbations this result is improved and a connection between the poles of the limit function and the eigenvalues of the tridiagonal matrix is established.
Molecular Solid EOS based on Quasi-Harmonic Oscillator approximation for phonons
Menikoff, Ralph
2014-09-02
A complete equation of state (EOS) for a molecular solid is derived utilizing a Helmholtz free energy. Assuming that the solid is nonconducting, phonon excitations dominate the specific heat. Phonons are approximated as independent quasi-harmonic oscillators with vibrational frequencies depending on the specific volume. The model is suitable for calibrating an EOS based on isothermal compression data and infrared/Raman spectroscopy data from high pressure measurements utilizing a diamond anvil cell. In contrast to a Mie-Gr ̈uneisen EOS developed for an atomic solid, the specific heat and Gr ̈uneisen coefficient depend on both density and temperature.
Foiles, Stephen Martin
2011-10-01
The predictions of binary collision approximation (BCA) and molecular dynamics (MD) simulations of displacement cascades in GaAs are compared. There are three issues addressed in this work. The first is the optimal choice of the effective displacement threshold to use in the BCA calculations to obtain the best agreement with MD results. Second, the spatial correlations of point defects are compared. This is related to the level of clustering that occurs for different types of radiation. Finally, the size and structure of amorphous zones seen in the MD simulations is summarized. BCA simulations are not able to predict the formation of amorphous material.
Exact and approximate fermion Green`s functions in QED and QCD
Fried, H.M. [Physics Department, Brown University, Providence, Rhode Island 02912 (United States)] [Physics Department, Brown University, Providence, Rhode Island 02912 (United States); Gabellini, Y. [Institut Non-Lineaire de Nice, 1361, Route des Lucioles, 06560 Valbonne (France)] [Institut Non-Lineaire de Nice, 1361, Route des Lucioles, 06560 Valbonne (France); McKellar, B.H.J. [School of Physics, University of Melbourne, Parkville, Victoria, 3052 (Australia)] [School of Physics, University of Melbourne, Parkville, Victoria, 3052 (Australia)
1995-06-15
That special variant of the Fradkin representation, previously defined for scalar Green`s functions {ital G}{sub {ital c}}({ital x},{ital y}{vert_bar}{ital A}) in an arbitrary potential {ital A}({ital z}), is here extended to the case of vector interactions and spinor Green`s functions of QED and QCD. An exact representation is given which may again be approximated by a finite number {ital N} of quadratures, with the order of magnitude of the errors generated specified in advance, and decreasing with increasing {ital N}. A feature appears for both exact and approximate {ital G}{sub {ital c}}[{ital A}]: the possibility of chaotic behavior of a function central to the representation, which in turn generates chaotic behavior in {ital G}{sub {ital c}}[{ital A}] for certain {ital A}({ital z}). An example is given to show how the general criterion specified here works for a known case of ``quantum chaos,`` in a potential theory context of first quantization. When the full, nonperturbative, radiative corrections of quantum field theory are included, such chaotic effects are removed.
Raghunathan, Shesha; Brun, Todd A.; Goan, Hsi-Sheng
2010-11-15
A promising technique for measuring single electron spins is magnetic resonance force microscopy (MRFM), in which a microcantilever with a permanent magnetic tip is resonantly driven by a single oscillating spin. The most effective experimental technique is the oscillating cantilever-driven adiabatic reversals (OSCAR) protocol, in which the signal takes the form of a frequency shift. If the quality factor of the cantilever is high enough, this signal will be amplified over time to the point where it can be detected by optical or other techniques. An important requirement, however, is that this measurement process occurs on a time scale that is short compared to any noise which disturbs the orientation of the measured spin. We describe a model of spin noise for the MRFM system and show how this noise is transformed to become time dependent in going to the usual rotating frame. We simplify the description of the cantilever-spin system by approximating the cantilever wave function as a Gaussian wave packet and show that the resulting approximation closely matches the full quantum behavior. We then examine the problem of detecting the signal for a cantilever with thermal noise and spin with spin noise, deriving a condition for this to be a useful measurement.
Thermally-assisted-occupation density functional theory with generalized-gradient approximations
Chai, Jeng-Da
2014-05-14
We extend the recently proposed thermally-assisted-occupation density functional theory (TAO-DFT) [J.-D. Chai, J. Chem. Phys. 136, 154104 (2012)] to generalized-gradient approximation (GGA) exchange-correlation density functionals. Relative to our previous TAO-LDA (i.e., the local density approximation to TAO-DFT), the resulting TAO-GGAs are significantly superior for a wide range of applications, such as thermochemistry, kinetics, and reaction energies. For noncovalent interactions, TAO-GGAs with empirical dispersion corrections are shown to yield excellent performance. Due to their computational efficiency for systems with strong static correlation effects, TAO-LDA and TAO-GGAs are applied to study the electronic properties (e.g., the singlet-triplet energy gaps, vertical ionization potentials, vertical electron affinities, fundamental gaps, and symmetrized von Neumann entropy) of acenes with different number of linearly fused benzene rings (up to 100), which is very challenging for conventional electronic structure methods. The ground states of acenes are shown to be singlets for all the chain lengths studied here. With the increase of acene length, the singlet-triplet energy gaps, vertical ionization potentials, and fundamental gaps decrease monotonically, while the vertical electron affinities and symmetrized von Neumann entropy (i.e., a measure of polyradical character) increase monotonically.
Approximation of functions of variable smoothness by Fourier-Legendre sums
Sharapudinov, I I
2000-06-30
Assume that 0<{mu}{<=}1, and let r{>=}1 be an integer. Let {delta}={l_brace}a{sub 1},...,a{sub l}{r_brace}, where the a{sub i} are points in the interval (-1,1). The classes S{sup r}H{sup {mu}}{sub {delta}} and S{sup r}H{sup {mu}}{sub {delta}}(B) are introduced. These consist of functions with absolutely continuous (r-1)th derivative on [-1,1] such that their rth and (r+1)th derivatives satisfy certain conditions outside the set {delta}. It is proved that for 0<{mu}<1 the Fourier-Legendre sums realize the best approximation in the classes S{sup r}H{sup {mu}}{sub {delta}}(B). Using the Fourier-Legendre expansions, polynomials Y{sub n+2r} of order n+2r are constructed that possess the following property: for 0<{mu}<1 the {nu}th derivative of the polynomial Y{sub n+2r} approximates f{sup ({nu})}(x) (f element of S{sup r}H{sup {mu}}{sub {delta}}) on [-1,1] to within O(n{sup {nu}}{sup +1-r-{mu}}), and the accuracy is of order O(n{sup {nu}}{sup -r-{mu}}) outside {delta}.
Toloczko, M.B.; Garner, F.A.; Eiholzer, C.R.
1998-03-01
Three ferritic alloys were irradiated in two fast reactors to doses of 50 dpa or more at temperatures near 400 C. One martensitic alloy, HT9, was irradiated in both the FFTF and PFR reactors. PFR is the Prototype Fast Reactor in Dourneay, Scotland, and FFTF is the Fast Flux Test Facility in Richland, WA. D57 is a developmental alloy that was irradiated in PFR only, and MA957 is a Y{sub 2}O{sub 3} dispersion-hardened ferritic alloy that was irradiated only in FFTF. These alloys exhibited little or no void swelling at {approximately}400 C. Depending on the alloy starting condition, these steels develop a variety of non-creep strains early in the irradiation that are associated with phase changes. Each of these alloys creeps at a rate that is significantly lower than that of austenitic steels irradiated in the same experiments. The creep compliance for ferritic alloys in general appears to be {approximately}0.5 {times} 10{sup {minus}6} MPa{sup {minus}1} dpa{sup {minus}1}, independent of both composition and starting state. The addition of Y{sub 2}O{sub 3} as a dispersoid does not appear to change the creep behavior.
Nikiforov, Alexander; Gamez, Jose A.; Thiel, Walter; Huix-Rotllant, Miquel; Filatov, Michael
2014-09-28
Quantum-chemical computational methods are benchmarked for their ability to describe conical intersections in a series of organic molecules and models of biological chromophores. Reference results for the geometries, relative energies, and branching planes of conical intersections are obtained using ab initio multireference configuration interaction with single and double excitations (MRCISD). They are compared with the results from more approximate methods, namely, the state-interaction state-averaged restricted ensemble-referenced Kohn-Sham method, spin-flip time-dependent density functional theory, and a semiempirical MRCISD approach using an orthogonalization-corrected model. It is demonstrated that these approximate methods reproduce the ab initio reference data very well, with root-mean-square deviations in the optimized geometries of the order of 0.1 or less and with reasonable agreement in the computed relative energies. A detailed analysis of the branching plane vectors shows that all currently applied methods yield similar nuclear displacements for escaping the strong non-adiabatic coupling region near the conical intersections. Our comparisons support the use of the tested quantum-chemical methods for modeling the photochemistry of large organic and biological systems.
Characterization of the homogeneous tissue mixture approximation in breast imaging dosimetry
Sechopoulos, Ioannis; Bliznakova, Kristina; Qin Xulei; Fei Baowei; Feng, Steve Si Jia
2012-08-15
Purpose: To compare the estimate of normalized glandular dose in mammography and breast CT imaging obtained using the actual glandular tissue distribution in the breast to that obtained using the homogeneous tissue mixture approximation. Methods: Twenty volumetric images of patient breasts were acquired with a dedicated breast CT prototype system and the voxels in the breast CT images were automatically classified into skin, adipose, and glandular tissue. The breasts in the classified images underwent simulated mechanical compression to mimic the conditions present during mammographic acquisition. The compressed thickness for each breast was set to that achieved during each patient's last screening cranio-caudal (CC) acquisition. The volumetric glandular density of each breast was computed using both the compressed and uncompressed classified images, and additional images were created in which all voxels representing adipose and glandular tissue were replaced by a homogeneous mixture of these two tissues in a proportion corresponding to each breast's volumetric glandular density. All four breast images (compressed and uncompressed; heterogeneous and homogeneous tissue) were input into Monte Carlo simulations to estimate the normalized glandular dose during mammography (compressed breasts) and dedicated breast CT (uncompressed breasts). For the mammography simulations the x-ray spectra used was that used during each patient's last screening CC acquisition. For the breast CT simulations, two x-ray spectra were used, corresponding to the x-ray spectra with the lowest and highest energies currently being used in dedicated breast CT prototype systems under clinical investigation. The resulting normalized glandular dose for the heterogeneous and homogeneous versions of each breast for each modality was compared. Results: For mammography, the normalized glandular dose based on the homogeneous tissue approximation was, on average, 27% higher than that estimated using the true heterogeneous glandular tissue distribution (Wilcoxon Signed Rank Test p= 0.00046). For dedicated breast CT, the overestimation of normalized glandular dose was, on average, 8% (49 kVp spectrum, p= 0.00045) and 4% (80 kVp spectrum, p= 0.000089). Only two cases in mammography and two cases in dedicated breast CT with a tube voltage of 49 kVp resulted in lower dose estimates for the homogeneous tissue approximation compared to the heterogeneous tissue distribution. Conclusions: The normalized glandular dose based on the homogeneous tissue mixture approximation results in a significant overestimation of dose to the imaged breast. This overestimation impacts the use of dose estimates in absolute terms, such as for risk estimates, and may impact some comparative studies, such as when modalities or techniques with different x-ray energies are used. The error introduced by the homogeneous tissue mixture approximation in higher energy x-ray modalities, such as dedicated breast CT, although statistically significant, may not be of clinical concern. Further work is required to better characterize this overestimation and potentially develop new metrics or correction factors to better estimate the true glandular dose to breasts undergoing imaging with ionizing radiation.
Low-energy parameters of neutron-neutron interaction in the effective-range approximation
Babenko, V. A.; Petrov, N. M. [National Academy of Sciences of Ukraine, Bogolyubov Institute for Theoretical Physics (Ukraine)
2013-06-15
The effect of the mass difference between the charged and neutral pions on the low-energy parameters of nucleon-nucleon interaction in the {sup 1}S{sub 0} state is studied in the effective-range approximation. On the basis of experimental values of the singlet parameters of neutron-proton scattering and the experimental value of the virtual-state energy for the neutron-neutron systemin the {sup 1}S{sub 0} state, the following values were obtained for the neutron-neutron scattering length and effective range: a{sub nn} = -16.59(117) fm and r{sub nn} = 2.83(11) fm. The calculated values agree well with present-day experimental results.
Korotkevich, Alexander O.; Lushnikov, Pavel M.; Rose, Harvey A.
2015-01-15
We developed a linear theory of backward stimulated Brillouin scatter (BSBS) of a spatially and temporally random laser beam relevant for laser fusion. Our analysis reveals a new collective regime of BSBS (CBSBS). Its intensity threshold is controlled by diffraction, once cT{sub c} exceeds a laser speckle length, with T{sub c} the laser coherence time. The BSBS spatial gain rate is approximately the sum of that due to CBSBS, and a part which is independent of diffraction and varies linearly with T{sub c}. The CBSBS spatial gain rate may be reduced significantly by the temporal bandwidth of KrF-based laser systems compared to the bandwidth currently available to temporally smoothed glass-based laser systems.
Ou, Qi; Fatehi, Shervin; Alguire, Ethan; Subotnik, Joseph E.; Shao, Yihan
2014-07-14
Working within the Tamm-Dancoff approximation, we calculate the derivative couplings between time-dependent density-functional theory excited states by assuming that the Kohn-Sham superposition of singly excited determinants represents a true electronic wavefunction. All Pulay terms are included in our derivative coupling expression. The reasonability of our approach can be established by noting that, for closely separated electronic states in the infinite basis limit, our final expression agrees exactly with the Chernyak-Mukamel expression (with transition densities from response theory). Finally, we also validate our approach empirically by analyzing the behavior of the derivative couplings around the T{sub 1}/T{sub 2} conical intersection of benzaldehyde.
Rayleigh approximation to ground state of the Bose and Coulomb glasses
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.
2015-01-16
Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Ourmore » findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties.« less
Nishikawa, Takeshi
2014-07-15
Most conventional atomic models in a plasma do not treat the effect of the plasma on the free-electron state density. Using a nearest neighbor approximation, the state densities in hydrogenic plasmas for both bound and free electrons were evaluated and the effect of the plasma on the atomic model (especially for the state density of the free electron) was studied. The model evaluates the electron-state densities using the potential distribution formed by the superposition of the Coulomb potentials of two ions. The potential from one ion perturbs the electronic state density on the other. Using this new model, one can evaluate the free-state density without making any ad-hoc assumptions. The resulting contours of the average ionization degree, given as a function of the plasma temperature and density, are shifted slightly to lower temperatures because of the effect of the increasing free-state density.
Alexandre Pinto, S ergio; Stadler, Alfred; Gross, Franz
2009-01-01
We present the first calculations of the electromagnetic form factors of 3He and 3H within the framework of the Covariant Spectator Theory (CST). This first exploratory study concentrates on the sensitivity of the form factors to the strength of the scalar meson-nucleon off-shell coupling, known from previous studies to have a strong influence on the three-body binding energy. Results presented here were obtained using the complete impulse approximation (CIA), which includes contributions of relativistic origin that appear as two-body corrections in a non-relativistic framework, such as ?Z-graphs?, but omits other two and three-body currents. We compare our results to non-relativistic calculations augmented by relativistic corrections of O(v/c)2.
Sergio Alexandre Pinto, Alfred Stadler, Franz Gross
2009-05-01
We present the first calculations of the electromagnetic form factors of 3He and 3H within the framework of the Covariant Spectator Theory (CST). This first exploratory study concentrates on the sensitivity of the form factors to the strength of the scalar meson-nucleon off-shell coupling, known from previous studies to have a strong influence on the three-body binding energy. Results presented here were obtained using the complete impulse approximation (CIA), which includes contributions of relativistic origin that appear as two-body corrections in a non-relativistic framework, such as #28;Z-graphs#29;, but omits other two and three-body currents. We compare our results to non-relativistic calculations augmented by relativistic corrections of O(v/c)2.
Pinto, Sergio Alexandre; Stadler, Alfred; Gross, Franz
2009-05-15
We present the first calculations of the electromagnetic form factors of {sup 3}He and {sup 3}H within the framework of the Covariant Spectator Theory (CST). This first exploratory study concentrates on the sensitivity of the form factors to the strength of the scalar meson-nucleon off-shell coupling, known from previous studies to have a strong influence on the three-body binding energy. Results presented here were obtained using the complete impulse approximation (CIA), which includes contributions of relativistic origin that appear as two-body corrections in a nonrelativistic framework, such as 'Z-graphs', but omits other two and three-body currents. We compare our results to nonrelativistic calculations augmented by relativistic corrections of O(v/c){sup 2}.
Li, Xinya; Deng, Z. Daniel; USA, Richland Washington; Sun, Yannan; USA, Richland Washington; Martinez, Jayson J.; USA, Richland Washington; Fu, Tao; USA, Richland Washington; McMichael, Geoffrey A.; USA, Richland Washington; Carlson, Thomas J.; USA, Richland Washington
2014-11-27
Better understanding of fish behavior is vital for recovery of many endangered species including salmon. The Juvenile Salmon Acoustic Telemetry System (JSATS) was developed to observe the out-migratory behavior of juvenile salmonids tagged by surgical implantation of acoustic micro-transmitters and to estimate the survival when passing through dams on the Snake and Columbia Rivers. A robust three-dimensional solver was needed to accurately and efficiently estimate the time sequence of locations of fish tagged with JSATS acoustic transmitters, to describe in sufficient detail the information needed to assess the function of dam-passage design alternatives. An approximate maximum likelihood solver was developed using measurements of time difference of arrival from all hydrophones in receiving arrays on which a transmission was detected. Field experiments demonstrated that the developed solver performed significantly better in tracking efficiency and accuracy than other solvers described in the literature.
Rayleigh approximation to ground state of the Bose and Coulomb glasses
Ryan, S. D.; Mityushev, V.; Vinokur, V. M.; Berlyand, L.
2015-01-16
Glasses are rigid systems in which competing interactions prevent simultaneous minimization of local energies. This leads to frustration and highly degenerate ground states the nature and properties of which are still far from being thoroughly understood. We report an analytical approach based on the method of functional equations that allows us to construct the Rayleigh approximation to the ground state of a two-dimensional (2D) random Coulomb system with logarithmic interactions. We realize a model for 2D Coulomb glass as a cylindrical type II superconductor containing randomly located columnar defects (CD) which trap superconducting vortices induced by applied magnetic field. Our findings break ground for analytical studies of glassy systems, marking an important step towards understanding their properties.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Li, Xinya; Deng, Z. Daniel; USA, Richland Washington; Sun, Yannan; USA, Richland Washington; Martinez, Jayson J.; USA, Richland Washington; Fu, Tao; USA, Richland Washington; McMichael, Geoffrey A.; et al
2014-11-27
Better understanding of fish behavior is vital for recovery of many endangered species including salmon. The Juvenile Salmon Acoustic Telemetry System (JSATS) was developed to observe the out-migratory behavior of juvenile salmonids tagged by surgical implantation of acoustic micro-transmitters and to estimate the survival when passing through dams on the Snake and Columbia Rivers. A robust three-dimensional solver was needed to accurately and efficiently estimate the time sequence of locations of fish tagged with JSATS acoustic transmitters, to describe in sufficient detail the information needed to assess the function of dam-passage design alternatives. An approximate maximum likelihood solver was developedmore » using measurements of time difference of arrival from all hydrophones in receiving arrays on which a transmission was detected. Field experiments demonstrated that the developed solver performed significantly better in tracking efficiency and accuracy than other solvers described in the literature.« less
Quantum Theory of (H,H{Sub 2}) Scattering: Approximate Treatments of Reactive Scattering
DOE R&D Accomplishments [OSTI]
Tang, K. T.; Karplus, M.
1970-10-01
A quantum mechanical study is made of reactive scattering in the (H, H{sub 2}) system. The problem is formulated in terms of a form of the distorted-wave Born approximation (DWBA) suitable for collisions in which all particles have finite mass. For certain incident energies, differential and total cross sections, as well as other attributes of the reactive collisions, (e.g. reaction configuration), are determined. Two limiting models in the DWBA formulation are compared; in one, the molecule is unperturbed by the incoming atom and in the other, the molecule adiabatically follows the incoming atom. For thermal incident energies and semi-empirical interaction potential employed, the adiabatic model seems to be more appropriate. Since the DWBA method is too complicated for a general study of the (H, H{sub 2}) reaction, a much simpler approximation method, the “linear model” is developed. This model is very different in concept from treatments in which the three atoms are constrained to move on a line throughout the collision. The present model includes the full three-dimensional aspect of the collision and it is only the evaluation of the transition matrix element itself that is simplified. It is found that the linear model, when appropriately normalized, gives results in good agreement with that of the DWBA method. By application of this model, the energy dependence, rotational state of dependence and other properties of the total and differential reactions cross sections are determined. These results of the quantum mechanical treatment are compared with the classical calculation for the same potential surface. The most important result is that, in agreement with the classical treatment, the differential cross sections are strongly backward peaked at low energies and shifts in the forward direction as the energy increases. Finally, the implications of the present calculations for a theory of chemical kinetics are discussed.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Jakeman, J. D.; Wildey, T.
2015-01-01
In this paper we present an algorithm for adaptive sparse grid approximations of quantities of interest computed from discretized partial differential equations. We use adjoint-based a posteriori error estimates of the interpolation error in the sparse grid to enhance the sparse grid approximation and to drive adaptivity. We show that utilizing these error estimates provides significantly more accurate functional values for random samples of the sparse grid approximation. We also demonstrate that alternative refinement strategies based upon a posteriori error estimates can lead to further increases in accuracy in the approximation over traditional hierarchical surplus based strategies. Throughout this papermore » we also provide and test a framework for balancing the physical discretization error with the stochastic interpolation error of the enhanced sparse grid approximation.« less
Jakeman, J.D. Wildey, T.
2015-01-01
In this paper we present an algorithm for adaptive sparse grid approximations of quantities of interest computed from discretized partial differential equations. We use adjoint-based a posteriori error estimates of the physical discretization error and the interpolation error in the sparse grid to enhance the sparse grid approximation and to drive adaptivity of the sparse grid. Utilizing these error estimates provides significantly more accurate functional values for random samples of the sparse grid approximation. We also demonstrate that alternative refinement strategies based upon a posteriori error estimates can lead to further increases in accuracy in the approximation over traditional hierarchical surplus based strategies. Throughout this paper we also provide and test a framework for balancing the physical discretization error with the stochastic interpolation error of the enhanced sparse grid approximation.
Approximate models for the ion-kinetic regime in inertial-confinement-fusion capsule implosions
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Hoffman, Nelson M.; Zimmerman, George B.; Molvig, Kim; Rinderknecht, Hans G.; Rosenberg, Michael J.; Albright, B. J.; Simakov, Andrei N.; Sio, Hong; Zylstra, Alex B.; Johnson, Maria Gatu; et al
2015-05-19
“Reduced” (i.e., simplified or approximate) ion-kinetic (RIK) models in radiation-hydrodynamic simulations permit a useful description of inertial-confinement-fusion (ICF) implosions where kinetic deviations from hydrodynamic behavior are important. For implosions in or near the kinetic regime (i.e., when ion mean free paths are comparable to the capsule size), simulations using a RIK model give a detailed picture of the time- and space-dependent structure of imploding capsules, allow an assessment of the relative importance of various kinetic processes during the implosion, enable explanations of past and current observations, and permit predictions of the results of future experiments. The RIK simulation method describedmore » here uses moment-based reduced kinetic models for transport of mass, momentum, and energy by long-mean-free-path ions, a model for the decrease of fusion reactivity owing to the associated modification of the ion distribution function, and a model of hydrodynamic turbulent mixing. The transport models are based on local gradient-diffusion approximations for the transport of moments of the ion distribution functions, with coefficients to impose flux limiting or account for transport modification. After calibration against a reference set of ICF implosions spanning the hydrodynamic-to-kinetic transition, the method has useful, quantifiable predictive ability over a broad range of capsule parameter space. Calibrated RIK simulations show that an important contributor to ion species separation in ICF capsule implosions is the preferential flux of longer-mean-free-path species out of the fuel and into the shell, leaving the fuel relatively enriched in species with shorter mean free paths. Also, the transport of ion thermal energy is enhanced in the kinetic regime, causing the fuel region to have a more uniform, lower ion temperature, extending over a larger volume, than implied by clean simulations. We expect that the success of our simple approach will motivate continued theoretical research into the development of first-principles-based, comprehensive, self-consistent, yet useable models of kinetic multispecies ion behavior in ICF plasmas.« less
Approximate models for the ion-kinetic regime in inertial-confinement-fusion capsule implosions
Hoffman, Nelson M.; Zimmerman, George B.; Molvig, Kim; Rinderknecht, Hans G.; Rosenberg, Michael J.; Albright, B. J.; Simakov, Andrei N.; Sio, Hong; Zylstra, Alex B.; Johnson, Maria Gatu; Séguin, Fredrick H.; Frenje, Johan A.; Li, C. K.; Petrasso, Richard D.; Higdon, David M.; Srinivasan, Gowri; Glebov, Vladimir Yu.; Stoeckl, Christian; Seka, Wolf; Sangster, T. Craig
2015-05-19
“Reduced” (i.e., simplified or approximate) ion-kinetic (RIK) models in radiation-hydrodynamic simulations permit a useful description of inertial-confinement-fusion (ICF) implosions where kinetic deviations from hydrodynamic behavior are important. For implosions in or near the kinetic regime (i.e., when ion mean free paths are comparable to the capsule size), simulations using a RIK model give a detailed picture of the time- and space-dependent structure of imploding capsules, allow an assessment of the relative importance of various kinetic processes during the implosion, enable explanations of past and current observations, and permit predictions of the results of future experiments. The RIK simulation method described here uses moment-based reduced kinetic models for transport of mass, momentum, and energy by long-mean-free-path ions, a model for the decrease of fusion reactivity owing to the associated modification of the ion distribution function, and a model of hydrodynamic turbulent mixing. The transport models are based on local gradient-diffusion approximations for the transport of moments of the ion distribution functions, with coefficients to impose flux limiting or account for transport modification. After calibration against a reference set of ICF implosions spanning the hydrodynamic-to-kinetic transition, the method has useful, quantifiable predictive ability over a broad range of capsule parameter space. Calibrated RIK simulations show that an important contributor to ion species separation in ICF capsule implosions is the preferential flux of longer-mean-free-path species out of the fuel and into the shell, leaving the fuel relatively enriched in species with shorter mean free paths. Also, the transport of ion thermal energy is enhanced in the kinetic regime, causing the fuel region to have a more uniform, lower ion temperature, extending over a larger volume, than implied by clean simulations. We expect that the success of our simple approach will motivate continued theoretical research into the development of first-principles-based, comprehensive, self-consistent, yet useable models of kinetic multispecies ion behavior in ICF plasmas.
Radioactive waste management integrated data base: a bibliography. [Approximately 1100 references
Johnson, C.A.; Garland, P.A.
1980-09-01
The purpose of this indexed bibliography is to organize and collect the literature references on waste generation and treatment, characteristics, inventories, and costs. The references were captured into a searchable information file, and the information file was sorted, indexed, and printed for this bibliography. A completion of approximately 1100 references to nuclear waste management, the first of a series, is completed. Each reference is categorized by waste origin (commercial, defense, institutional, and foreign) and by subject area: (1) high-level wastes, (2) low-level wastes, (3) TRU wastes, (4) airborne wastes, (5) remedial action (formerly utilized sites, surplus facilities, and mill tailings), (6) isolation, (7) transportation, (8) spent fuel, (9) fuel cycle centers, and (10) a general category that covers nonspecific wastes. Five indexes are provided to assist the user in locating documents of interest: author, author affiliation (corporate authority), subject category, keyword, and permuted title. Machine (computer) searches of these indexes can be made specifying multiple constraints if so desired. This bibliography will be periodically updated as new information becomes available. In addition to being used in searches for specific data, the information file can also be used for resource document collection, names and addresses of contacts, and identification of potential sources of data.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Moody, Daniela I.; Brumby, Steven P.; Rowland, Joel C.; Altmann, Garrett L.
2014-12-09
We present results from an ongoing effort to extend neuromimetic machine vision algorithms to multispectral data using adaptive signal processing combined with compressive sensing and machine learning techniques. Our goal is to develop a robust classification methodology that will allow for automated discretization of the landscape into distinct units based on attributes such as vegetation, surface hydrological properties, and topographic/geomorphic characteristics. We use a Hebbian learning rule to build spectral-textural dictionaries that are tailored for classification. We learn our dictionaries from millions of overlapping multispectral image patches and then use a pursuit search to generate classification features. Land cover labelsmore » are automatically generated using unsupervised clustering of sparse approximations (CoSA). We demonstrate our method on multispectral WorldView-2 data from a coastal plain ecosystem in Barrow, Alaska. We explore learning from both raw multispectral imagery and normalized band difference indices. We explore a quantitative metric to evaluate the spectral properties of the clusters in order to potentially aid in assigning land cover categories to the cluster labels. In this study, our results suggest CoSA is a promising approach to unsupervised land cover classification in high-resolution satellite imagery.« less
Discrete Dipole Approximation for Low-Energy Photoelectron Emission from NaCl Nanoparticles
Berg, Matthew J.; Wilson, Kevin R.; Sorensen, Chris; Chakrabarti, Amit; Ahmed, Musahid
2011-09-22
This work presents a model for the photoemission of electrons from sodium chloride nanoparticles 50-500 nm in size, illuminated by vacuum ultraviolet light with energy ranging from 9.4-10.9 eV. The discrete dipole approximation is used to calculate the electromagnetic field inside the particles, from which the two-dimensional angular distribution of emitted electrons is simulated. The emission is found to favor the particle?s geometrically illuminated side, and this asymmetry is compared to previous measurements performed at the Lawrence Berkeley National Laboratory. By modeling the nanoparticles as spheres, the Berkeley group is able to semi-quantitatively account for the observed asymmetry. Here however, the particles are modeled as cubes, which is closer to their actual shape, and the interaction of an emitted electron with the particle surface is also considered. The end result shows that the emission asymmetry for these low-energy electrons is more sensitive to the particle-surface interaction than to the specific particle shape, i.e., a sphere or cube.
Cosmic histories of star formation and reionization: an analysis with a power-law approximation
Yu, Yun-Wei; Cheng, K.S.; Chu, M.C.; Yeung, S. E-mail: hrspksc@hku.hk E-mail: terryys@gmail.com
2012-07-01
With a simple power-law approximation of high-redshift (?>3.5) star formation history, i.e., ?-dot {sub *}(z)?[(1+z)/4.5]{sup ??}, we investigate the reionization of intergalactic medium (IGM) and the consequent Thomson scattering optical depth for cosmic microwave background (CMB) photons. A constraint on the evolution index ? is derived from the CMB optical depth measured by the Wilkinson Microwave Anisotropy Probe (WMAP) experiment, which reads ? ? 2.18 lg N{sub ?}?3.89, where the free parameter N{sub ?} is the number of the escaped ionizing ultraviolet photons per baryon. At the same time, the redshift z{sub f} at which the IGM is fully ionized can also be expressed as a function of ? as well as N{sub ?}. By further taking into account the implication of the Gunn-Peterson trough observations to quasars for the full reionization redshift, i.e., 6?
Determination of recombination radius in Si for binary collision approximation codes
Vizkelethy, Gyorgy; Foiles, Stephen M.
2015-09-11
Displacement damage caused by ions or neutrons in microelectronic devices can have significant effect on the performance of these devices. Therefore, it is important to predict not only the displacement damage profile, but also its magnitude precisely. Analytical methods and binary collision approximation codes working with amorphous targets use the concept of displacement energy, the energy that a lattice atom has to receive to create a permanent replacement. It was found that this “displacement energy” is direction dependent; it can range from 12 to 32 eV in silicon. Obviously, this model fails in BCA codes that work with crystalline targets, such as Marlowe. Marlowe does not use displacement energy; instead, it uses lattice binding energy only and then pairs the interstitial atoms with vacancies. Then based on the configuration of the Frenkel pairs it classifies them as close, near, or distant pairs, and considers the distant pairs the permanent replacements. Unfortunately, this separation is an ad hoc assumption, and the results do not agree with molecular dynamics calculations. After irradiation, there is a prompt recombination of interstitials and vacancies if they are nearby, within a recombination radius. In order to implement this recombination radius in Marlowe, we used the comparison of MD and Marlowe calculation in a range of ion energies in single crystal silicon target. As a result, the calculations showed that a single recombination radius of ~7.4 Å in Marlowe for a range of ion energies gives an excellent agreement with MD.
Quasichemical analysis of the cluster-pair approximation for the thermodynamics of proton hydration
Pollard, Travis; Beck, Thomas L.
2014-06-14
A theoretical analysis of the cluster-pair approximation (CPA) is presented based on the quasichemical theory of solutions. The sought single-ion hydration free energy of the proton includes an interfacial potential contribution by definition. It is shown, however, that the CPA involves an extra-thermodynamic assumption that does not guarantee uniform convergence to a bulk free energy value with increasing cluster size. A numerical test of the CPA is performed using the classical polarizable AMOEBA force field and supporting quantum chemical calculations. The enthalpy and free energy differences are computed for the kosmotropic Na{sup +}/F{sup −} ion pair in water clusters of size n = 5, 25, 105. Additional calculations are performed for the chaotropic Rb{sup +}/I{sup −} ion pair. A small shift in the proton hydration free energy and a larger shift in the hydration enthalpy, relative to the CPA values, are predicted based on the n = 105 simulations. The shifts arise from a combination of sequential hydration and interfacial potential effects. The AMOEBA and quantum chemical results suggest an electrochemical surface potential of water in the range −0.4 to −0.5 V. The physical content of single-ion free energies and implications for ion-water force field development are also discussed.
Investigation of approximations in thermal-hydraulic modeling of core conversions
Garner, Patrick L.; Hanan, Nelson A.
2008-07-15
Neutronics analyses for core conversions are usually fairly detailed, for example representing all 4 flats and all 4 corners of all 6 tubes of all 20 IRT-3M or -4M fuel assemblies in the core of the VVR-SM reactor in Uzbekistan. The coupled neutronics and thermal-hydraulic analysis for safety analysis transients is usually less detailed, for example modeling only a hot and an average fuel plate and the associated coolant. Several of the approximations have been studied using the RELAP5 and PARET computer codes in order to provide assurance that the lack of full detail is not important to the safety analysis. Two specific cases studied are (1) representation of a core of same- type fuel assemblies by a hot and an average assembly each having multiple channels as well as by merely a hot and average channel and (2) modeling a core containing multiple fuel types as the sum of fractional core models for each fuel type. (author)
Linear-scaling implementation of the direct random-phase approximation
Kllay, Mihly
2015-05-28
We report the linear-scaling implementation of the direct random-phase approximation (dRPA) for closed-shell molecular systems. As a bonus, linear-scaling algorithms are also presented for the second-order screened exchange extension of dRPA as well as for the second-order MllerPlesset (MP2) method and its spin-scaled variants. Our approach is based on an incremental scheme which is an extension of our previous local correlation method [Rolik et al., J. Chem. Phys. 139, 094105 (2013)]. The approach extensively uses local natural orbitals to reduce the size of the molecular orbital basis of local correlation domains. In addition, we also demonstrate that using natural auxiliary functions [M. Kllay, J. Chem. Phys. 141, 244113 (2014)], the size of the auxiliary basis of the domains and thus that of the three-center Coulomb integral lists can be reduced by an order of magnitude, which results in significant savings in computation time. The new approach is validated by extensive test calculations for energies and energy differences. Our benchmark calculations also demonstrate that the new method enables dRPA calculations for molecules with more than 1000 atoms and 10?000 basis functions on a single processor.
Regional Economic Accounting (REAcct). A software tool for rapidly approximating economic impacts
Ehlen, Mark Andrew; Vargas, Vanessa N.; Loose, Verne William; Starks, Shirley J.; Ellebracht, Lory A.
2011-07-01
This paper describes the Regional Economic Accounting (REAcct) analysis tool that has been in use for the last 5 years to rapidly estimate approximate economic impacts for disruptions due to natural or manmade events. It is based on and derived from the well-known and extensively documented input-output modeling technique initially presented by Leontief and more recently further developed by numerous contributors. REAcct provides county-level economic impact estimates in terms of gross domestic product (GDP) and employment for any area in the United States. The process for using REAcct incorporates geospatial computational tools and site-specific economic data, permitting the identification of geographic impact zones that allow differential magnitude and duration estimates to be specified for regions affected by a simulated or actual event. Using these data as input to REAcct, the number of employees for 39 directly affected economic sectors (including 37 industry production sectors and 2 government sectors) are calculated and aggregated to provide direct impact estimates. Indirect estimates are then calculated using Regional Input-Output Modeling System (RIMS II) multipliers. The interdependent relationships between critical infrastructures, industries, and markets are captured by the relationships embedded in the inputoutput modeling structure.
Relativistic Coulomb excitation within the time dependent superfluid local density approximation
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Stetcu, I.; Bertulani, C. A.; Bulgac, A.; Magierski, P.; Roche, K. J.
2015-01-06
Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus 238U. The approach is based on the superfluid local density approximation formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We compute the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, themore » dipole pygmy resonance, and giant quadrupole modes are excited during the process. As a result, the one-body dissipation of collective dipole modes is shown to lead a damping width Γ↓≈0.4 MeV and the number of preequilibrium neutrons emitted has been quantified.« less
Ransom, Ray M.; Gallegos-Lopez, Gabriel; Kinoshita, Michael H.
2012-07-31
Methods, system and apparatus are provided for quickly approximating a peak summed magnitude (A) of a phase voltage (Vph) waveform in a multi-phase system that implements third harmonic injection.
Determination of recombination radius in Si for binary collision approximation codes
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Vizkelethy, Gyorgy; Foiles, Stephen M.
2015-09-11
Displacement damage caused by ions or neutrons in microelectronic devices can have significant effect on the performance of these devices. Therefore, it is important to predict not only the displacement damage profile, but also its magnitude precisely. Analytical methods and binary collision approximation codes working with amorphous targets use the concept of displacement energy, the energy that a lattice atom has to receive to create a permanent replacement. It was found that this “displacement energy” is direction dependent; it can range from 12 to 32 eV in silicon. Obviously, this model fails in BCA codes that work with crystalline targets,more » such as Marlowe. Marlowe does not use displacement energy; instead, it uses lattice binding energy only and then pairs the interstitial atoms with vacancies. Then based on the configuration of the Frenkel pairs it classifies them as close, near, or distant pairs, and considers the distant pairs the permanent replacements. Unfortunately, this separation is an ad hoc assumption, and the results do not agree with molecular dynamics calculations. After irradiation, there is a prompt recombination of interstitials and vacancies if they are nearby, within a recombination radius. In order to implement this recombination radius in Marlowe, we used the comparison of MD and Marlowe calculation in a range of ion energies in single crystal silicon target. As a result, the calculations showed that a single recombination radius of ~7.4 Å in Marlowe for a range of ion energies gives an excellent agreement with MD.« less
0{sup +} states in the large boson number limit of the Interacting Boson Approximation model
Bonatsos, Dennis; McCutchan, E. A.; Casten, R. F.
2008-11-11
Studies of the Interacting Boson Approximation (IBA) model for large boson numbers have been triggered by the discovery of shape/phase transitions between different limiting symmetries of the model. These transitions become sharper in the large boson number limit, revealing previously unnoticed regularities, which also survive to a large extent for finite boson numbers, corresponding to valence nucleon pairs in collective nuclei. It is shown that energies of 0{sub n}{sup +} states grow linearly with their ordinal number n in all three limiting symmetries of IBA [U(5), SU(3), and O(6)]. Furthermore, it is proved that the narrow transition region separating the symmetry triangle of the IBA into a spherical and a deformed region is described quite well by the degeneracies E(0{sub 2}{sup +}) = E(6{sub 1}{sup +}, E(0{sub 3}{sup +}) = E(10{sub 1}{sup +}), E(0{sub 4}{sup +}) = E(14{sub 1}{sup +}, while the energy ratio E(6{sub 1}{sup +})/E(0{sub 2}{sup +} turns out to be a simple, empirical, easy-to-measure effective order parameter, distinguishing between first- and second-order transitions. The energies of 0{sub n}{sup +} states near the point of the first order shape/phase transition between U(5) and SU(3) are shown to grow as n(n+3), in agreement with the rule dictated by the relevant critical point symmetries resulting in the framework of special solutions of the Bohr Hamiltonian. The underlying partial dynamical symmetries and quasi-dynamical symmetries are also discussed.
Heng, Kevin; Mendonça, João M.; Lee, Jae-Min E-mail: joao.mendonca@csh.unibe.ch
2014-11-01
We present a comprehensive analytical study of radiative transfer using the method of moments and include the effects of non-isotropic scattering in the coherent limit. Within this unified formalism, we derive the governing equations and solutions describing two-stream radiative transfer (which approximates the passage of radiation as a pair of outgoing and incoming fluxes), flux-limited diffusion (which describes radiative transfer in the deep interior), and solutions for the temperature-pressure profiles. Generally, the problem is mathematically underdetermined unless a set of closures (Eddington coefficients) is specified. We demonstrate that the hemispheric (or hemi-isotropic) closure naturally derives from the radiative transfer equation if energy conservation is obeyed, while the Eddington closure produces spurious enhancements of both reflected light and thermal emission. We concoct recipes for implementing two-stream radiative transfer in stand-alone numerical calculations and general circulation models. We use our two-stream solutions to construct toy models of the runaway greenhouse effect. We present a new solution for temperature-pressure profiles with a non-constant optical opacity and elucidate the effects of non-isotropic scattering in the optical and infrared. We derive generalized expressions for the spherical and Bond albedos and the photon deposition depth. We demonstrate that the value of the optical depth corresponding to the photosphere is not always 2/3 (Milne's solution) and depends on a combination of stellar irradiation, internal heat, and the properties of scattering in both the optical and infrared. Finally, we derive generalized expressions for the total, net, outgoing, and incoming fluxes in the convective regime.
Alemi, Mallory; Loring, Roger F.
2015-06-07
The optimized mean-trajectory (OMT) approximation is a semiclassical method for computing vibrational response functions from action-quantized classical trajectories connected by discrete transitions that represent radiation-matter interactions. Here, we extend the OMT to include additional vibrational coherence and energy transfer processes. This generalized approximation is applied to a pair of anharmonic chromophores coupled to a bath. The resulting 2D spectra are shown to reflect coherence transfer between normal modes.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Kilcrease, D. P.; Brookes, S.
2013-08-19
The modeling of NLTE plasmas requires the solution of population rate equations to determine the populations of the various atomic levels relevant to a particular problem. The equations require many cross sections for excitation, de-excitation, ionization and recombination. Additionally, a simple and computational fast way to calculate electron collisional excitation cross-sections for ions is by using the plane-wave Born approximation. This is essentially a high-energy approximation and the cross section suffers from the unphysical problem of going to zero near threshold. Various remedies for this problem have been employed with varying degrees of success. We present a correction procedure formore » the Born cross-sections that employs the Elwert–Sommerfeld factor to correct for the use of plane waves instead of Coulomb waves in an attempt to produce a cross-section similar to that from using the more time consuming Coulomb Born approximation. We compare this new approximation with other, often employed correction procedures. Furthermore, we also look at some further modifications to our Born Elwert procedure and its combination with Y.K. Kim's correction of the Coulomb Born approximation for singly charged ions that more accurately approximate convergent close coupling calculations.« less
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1 Webinar Archives 2011 Webinar Archives Increase your H2IQ Learn about Fuel Cell Technologies Office webinars held in 2011 through the descriptions and linked materials below. Also view webinar archives from other years. Webinars presented in 2011: Hydrogen Storage Materials Database Demonstration Hydrogen Production by PEM Electrolysis-Spotlight on Giner and Proton Science Magazine Article Highlight: Moving Towards Near Zero Platinum Fuel Cells I2CNER: An International Collaboration to Enable
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Erba, A. Dovesi, R.; Shahrokhi, M.; Moradian, R.
2015-01-28
Harmonic and quasi-harmonic thermal properties of two isostructural simple oxides (periclase, MgO, and lime, CaO) are computed with ab initio periodic simulations based on the density-functional-theory (DFT). The more polarizable character of calcium with respect to magnesium cations is found to dramatically affect the validity domain of the quasi-harmonic approximation that, for thermal structural properties (such as temperature dependence of volume, V(T), bulk modulus, K(T), and thermal expansion coefficient, α(T)), reduces from [0 K-1000 K] for MgO to just [0 K-100 K] for CaO. On the contrary, thermodynamic properties (such as entropy, S(T), and constant-volume specific heat, C{sub V}(T)) are described reliably at least up to 2000 K and quasi-harmonic constant-pressure specific heat, C{sub P}(T), up to about 1000 K in both cases. The effect of the adopted approximation to the exchange-correlation functional of the DFT is here explicitly investigated by considering five different expressions of three different classes (local-density approximation, generalized-gradient approximation, and hybrids). Computed harmonic thermodynamic properties are found to be almost independent of the adopted functional, whereas quasi-harmonic structural properties are more affected by the choice of the functional, with differences that increase as the system becomes softer.
Effenberger, Frederic; Litvinenko, Yuri E.
2014-03-01
The diffusion approximation to the Fokker-Planck equation is commonly used to model the transport of solar energetic particles in interplanetary space. In this study, we present exact analytical predictions of a higher order telegraph approximation for particle transport and compare them with the corresponding predictions of the diffusion approximation and numerical solutions of the full Fokker-Planck equation. We specifically investigate the role of the adiabatic focusing effect of a spatially varying magnetic field on an evolving particle distribution. Comparison of the analytical and numerical results shows that the telegraph approximation reproduces the particle intensity profiles much more accurately than does the diffusion approximation, especially when the focusing is strong. However, the telegraph approximation appears to offer no significant advantage over the diffusion approximation for calculating the particle anisotropy. The telegraph approximation can be a useful tool for describing both diffusive and wave-like aspects of the cosmic-ray transport.
Not Available
1984-03-01
The report covers the following issues concerning: highwall elimination, reclamation, and approximate original contour in surface-mining applications.
Biernat, Elmar P.; Gross, Franz; Peña, M. T.; Stadler, Alfred
2015-10-26
The pion form factor is calculated in the framework of the charge-conjugation invariant covariant spectator theory. This formalism is established in Minkowski space, and the calculation is set up in momentum space. In a previous calculation we included only the leading pole coming from the spectator quark (referred to as the relativistic impulse approximation). In this study we also include the contributions from the poles of the quark which interacts with the photon and average over all poles in both the upper and lower half-planes in order to preserve charge conjugation invariance (referred to as the C-symmetric complete impulse approximation). We find that for small pion mass these contributions are significant at all values of the four-momentum transfer Q^{2} but, surprisingly, do not alter the shape obtained from the spectator poles alone.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Biernat, Elmar P.; Gross, Franz; Peña, M. T.; Stadler, Alfred
2015-10-26
The pion form factor is calculated in the framework of the charge-conjugation invariant covariant spectator theory. This formalism is established in Minkowski space, and the calculation is set up in momentum space. In a previous calculation we included only the leading pole coming from the spectator quark (referred to as the relativistic impulse approximation). In this study we also include the contributions from the poles of the quark which interacts with the photon and average over all poles in both the upper and lower half-planes in order to preserve charge conjugation invariance (referred to as the C-symmetric complete impulse approximation).more » We find that for small pion mass these contributions are significant at all values of the four-momentum transfer Q2 but, surprisingly, do not alter the shape obtained from the spectator poles alone.« less
Pohle, H.
1989-03-15
We investigate lambdaphi/sup 4/ theory within the Gaussian approximation in spatially flat Robertson-Walker space in 3+1 dimensions. After having performed an adiabatic expansion for one of the ansatz functions, we find that the renormalization of the energy-momentum tensor provides two additional constraints which have to be satisfied by the bare couplings. These conditions force the theory to be trivial after renormalization.
Peru, S.; Gosselin, G.; Martini, M.; Dupuis, M.; Hilaire, S.
2011-01-15
Fully consistent axially-symmetric deformed quasiparticle random-phase approximation (QRPA) calculations have been performed, using the same Gogny D1S effective force for both the Hartree-Fock-Bogolyubov mean field and QRPA matrix. New implementation of this approach leads to the applicability of QRPA to heavy deformed nuclei. Giant resonances and low-energy collective states for monopole, dipole, quadrupole, and octupole modes are predicted for the heavy deformed nucleus {sup 238}U and compared with experimental data.
Zaslawsky, M.; Kennedy, W.N.
1992-09-30
Mathematical solutions to the problem consisting of a partially-full waste tank subjected to seismic loading, embedded in soil, is classically difficult in that one has to address: soil-structure interaction, fluid-structure interaction, non-linear behavior of material, dynamic effects. Separating the problem and applying numerous assumptions will yield approximate solutions. This paper explores methods for generating these solutions accurately.
Padrino-Inciarte, Juan Carlos; Ma, Xia; VanderHeyden, W. Brian; Zhang, Duan Zhong
2016-01-01
General ensemble phase averaged equations for multiphase flows have been specialized for the simulation of the steam assisted gravity drainage (SAGD) process. In the average momentum equation, fluid-solid and fluid-fluid viscous interactions are represented by separate force terms. This equation has a form similar to that of Darcy’s law for multiphase flow but augmented by the fluid-fluid viscous forces. Models for these fluid-fluid interactions are suggested and implemented into the numerical code CartaBlanca. Numerical results indicate that the model captures the main features of the multiphase flow in the SAGD process, but the detailed features, such as plumes are missed. We find that viscous coupling among the fluid phases is important. Advection time scales for the different fluids differ by several orders of magnitude because of vast viscosity differences. Numerically resolving all of these time scales is time consuming. To address this problem, we introduce a steam surrogate approximation to increase the steam advection time scale, while keeping the mass and energy fluxes well approximated. This approximation leads to about a 40-fold speed-up in execution speed of the numerical calculations at the cost of a few percent error in the relevant quantities.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Padrino-Inciarte, Juan Carlos; Ma, Xia; VanderHeyden, W. Brian; Zhang, Duan Zhong
2016-01-01
General ensemble phase averaged equations for multiphase flows have been specialized for the simulation of the steam assisted gravity drainage (SAGD) process. In the average momentum equation, fluid-solid and fluid-fluid viscous interactions are represented by separate force terms. This equation has a form similar to that of Darcy’s law for multiphase flow but augmented by the fluid-fluid viscous forces. Models for these fluid-fluid interactions are suggested and implemented into the numerical code CartaBlanca. Numerical results indicate that the model captures the main features of the multiphase flow in the SAGD process, but the detailed features, such as plumes are missed.more » We find that viscous coupling among the fluid phases is important. Advection time scales for the different fluids differ by several orders of magnitude because of vast viscosity differences. Numerically resolving all of these time scales is time consuming. To address this problem, we introduce a steam surrogate approximation to increase the steam advection time scale, while keeping the mass and energy fluxes well approximated. This approximation leads to about a 40-fold speed-up in execution speed of the numerical calculations at the cost of a few percent error in the relevant quantities.« less
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Tang, J. Y.
2015-09-03
The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use which of the two are often ambiguous. Here I show that these two kinetics are special approximations to the Equilibrium Chemistry Approximation kinetics, which is the first order approximation to the quadratic kinetics that solves the equation of enzyme-substrate complex exactly for a single enzyme single substrate biogeochemical reaction with the law of mass action and the assumption of quasi-steady-state formore » the enzyme-substrate complex and that the product genesis from enzyme-substrate complex is much slower than the equilibration between enzyme-substrate complexes, substrates and enzymes. In particular, I showed that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in the Equilibrium Chemistry Approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln [ E ]T of v with respect the total enzyme concentration [ E ]T and persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln [ S ]T of v with respect to the total substrate concentration [ S ]T. Meanwhile, the reverse Michaelis–Menten kinetics persistently under-predicts ∂ ln v / ∂ ln k2+ and ∂ ln v / ∂ ln [ E ]T, and persistently over-predicts ∂ ln v / ∂ ln k1+ and ∂ ln v / ∂ ln [ S ]T. In contrast, the Equilibrium Chemistry Approximation kinetics always gives consistent predictions of ∂ ln v / ∂ ln k2+, ∂ ln v / ∂ ln k1+, ∂ ln v / ∂ ln [ E ]T and ∂ ln v / ∂ ln [ S ]T. Since the Equilibrium Chemistry Approximation kinetics includes the advantages from both the Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics and it is applicable for almost the whole range of substrate and enzyme abundances, soil biogeochemical modelers therefore no longer need to choose when to use the Michaelis–Menten kinetics or the reverse Michaelis–Menten kinetics. I expect removing this choice ambiguity will make it easier to formulate more robust and consistent land biogeochemical models.« less
Laidman, S.; Pangilinan, J.; Guillemin, R.; Yu, S.U.; Ohrwall, G.; Lindle, D.; Hemmers, O.
2002-01-01
Understanding the electronic structure of atoms and molecules is fundamental in determining their basic properties as well as the interactions that occur with different particles such as light. One such interaction is single photoionization; a process in which a photon collides with an atom or molecule and an electron with a certain kinetic energy is emitted, leaving behind a residual ion. Theoretical models of electronic structures use the dipole approximation to simplify x-ray interactions by assuming that the electromagnetic field of the radiation, expressed as a Taylor-series expansion, can be simplified by using only the first term. It has been known for some time that the dipole approximation becomes inaccurate at high photon energies, but the threshold at which this discrepancy begins is ambiguous. In order to enhance our understanding of these limitations, we measured the electron emissions of nitrogen. Beamline 8.0.1 at the Advanced Light Source was used with an electron Time-of-Flight (TOF) end station, which measures the time required for electrons emitted to travel a fixed distance. Data were collected over a broad range of photon energies (413 - 664 eV) using five analyzers rotated to 15 chamber angles. Preliminary analysis indicates that these results confirm the breakdown of the dipole approximation at photon energies well below 1 keV and that this breakdown is greatly enhanced in molecules just above the core-level ionization threshold. As a result, new theoretical models must be made that use higher order terms that were previously truncated.
Regnier, D.; Verriere, M.; Dubray, N.; Schunck, N.
2015-11-30
In this study, we describe the software package FELIX that solves the equations of the time-dependent generator coordinate method (TDGCM) in NN-dimensions (N ≥ 1) under the Gaussian overlap approximation. The numerical resolution is based on the Galerkin finite element discretization of the collective space and the Crank–Nicolson scheme for time integration. The TDGCM solver is implemented entirely in C++. Several additional tools written in C++, Python or bash scripting language are also included for convenience. In this paper, the solver is tested with a series of benchmarks calculations. We also demonstrate the ability of our code to handle a realistic calculation of fission dynamics.
Peru, S.; Goutte, H.
2008-04-15
Fully consistent axially-symmetric-deformed quasiparticle random phase approximation (QRPA) calculations have been performed, in which the same Gogny D1S effective force has been used for both the Hartree-Fock-Bogolyubov mean field and the QRPA approaches. Giant resonances calculated in deformed {sup 26-28}Si and {sup 22-24}Mg nuclei as well as in the spherical {sup 30}Si and {sup 28}Mg isotopes are presented. Theoretical results for isovector-dipole and isoscalar monopole, quadrupole, and octupole responses are presented and the impact of the intrinsic nuclear deformation is discussed.
Bellomo, Bruno; De Pasquale, Antonella; Gualdi, Giulia; Marzolino, Ugo
2010-12-15
We propose a procedure to fully reconstruct the time-dependent coefficients of convolutionless non-Markovian dissipative generators via a finite number of experimental measurements. By combining a tomography-based approach with a proper data sampling, our proposal allows to relate the time-dependent coefficients governing the dissipative evolution of a quantum system to experimentally accessible quantities. The proposed scheme not only provides a way to retrieve the full information about potentially unknown dissipative coefficients, but also, most valuably, can be employed as a reliable consistency test for the approximations involved in the theoretical derivation of a given non-Markovian convolutionless master equation.
Toloczko, M.B.; Garner, F.A.; Eiholzer, C.R.
1997-04-01
Three ferritic alloys were irradiated in two fast reactors to doses of 50 dpa or more at temperatures near 400{degrees}C. One martensitic alloy, HT9, was irradiated in both the FFTF and PFR reactors. PFR is the Prototype Fast Reactor in Dourneay, Scotland, and FFTF is the Fast Flux Test Facility in Richland, WA. D57 is a developmental alloy that was irradiated in PFR only, and MA957 is a Y{sub 2}O{sub 3} dispersion-hardened ferritic alloy that was irradiated only in FFTF. These alloys exhibited little or no void swelling at {approximately}400{degrees}C. Depending on the alloy starting condition, these steels develop a variety of non-creep strains early in the irradiation that are associated with phase changes. Each of these alloys creeps at a rate that is significantly lower than that of austenitic steels irradiated in the same experiments. The creep compliance for ferritic alloys in general appears to be {approximately}0.5 x 10{sup {minus}6} MPa{sup {minus}1} dpa{sup {minus}1}, independent of both composition and starting state. The addition of Y{sub 2}O{sub 3} as a dispersoid does not appear to change the creep behavior.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Giera, Brian; Lawrence Livermore National Lab.; Henson, Neil; Kober, Edward M.; Shell, M. Scott; Squires, Todd M.
2015-02-27
We evaluate the accuracy of local-density approximations (LDAs) using explicit molecular dynamics simulations of binary electrolytes comprised of equisized ions in an implicit solvent. The Bikerman LDA, which considers ions to occupy a lattice, poorly captures excluded volume interactions between primitive model ions. Instead, LDAs based on the Carnahan–Starling (CS) hard-sphere equation of state capture simulated values of ideal and excess chemical potential profiles extremely well, as is the relationship between surface charge density and electrostatic potential. Excellent agreement between the EDL capacitances predicted by CS-LDAs and computed in molecular simulations is found even in systems where ion correlations drivemore » strong density and free charge oscillations within the EDL, despite the inability of LDAs to capture the oscillations in the detailed EDL profiles.« less
Fang Dongliang; Faessler, Amand; Rodin, Vadim; Simkovic, Fedor [Institut fuer Theoretische Physik, Universitaet Tuebingen, D-72076 Tuebingen (Germany); BLTP, JINR, Dubna (Russian Federation) and Department of Nuclear Physics, Comenius University, SK-842 15 Bratislava (Slovakia)
2011-03-15
In this paper a microscopic approach to calculation of the nuclear matrix element M{sup 0{nu}} for neutrinoless double-{beta} decay with an account for nuclear deformation is presented in length and applied for {sup 76}Ge, {sup 150}Nd, and {sup 160}Gd. The proton-neutron quasiparticle random-phase approximation with a realistic residual interaction (the Brueckner G matrix derived from the charge-depending Bonn nucleon-nucleon potential) is used as the underlying nuclear structure model. The effects of the short-range correlations and the quenching of the axial vector coupling constant g{sub A} are analyzed. The results suggest that neutrinoless double-{beta} decay of {sup 150}Nd, to be measured soon by the SNO+ Collaboration, may provide one of the best probes of the Majorana neutrino mass. This confirms our preliminary conclusion in Fang et al. [Phys. Rev. C 82, 051301(R) (2010)].
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Regnier, D.; Verriere, M.; Dubray, N.; Schunck, N.
2015-11-30
In this study, we describe the software package FELIX that solves the equations of the time-dependent generator coordinate method (TDGCM) in NN-dimensions (N ≥ 1) under the Gaussian overlap approximation. The numerical resolution is based on the Galerkin finite element discretization of the collective space and the Crank–Nicolson scheme for time integration. The TDGCM solver is implemented entirely in C++. Several additional tools written in C++, Python or bash scripting language are also included for convenience. In this paper, the solver is tested with a series of benchmarks calculations. We also demonstrate the ability of our code to handle amore » realistic calculation of fission dynamics.« less
Peterson, R.E.; Kohout, J.B.
1982-01-01
Mesaverde Group sandstone units in 13 closely-spaced wells in the central and southern Piceance Basin of Colorado were correlated utilizing wireline log response quantitatively and qualitatively. Based on these correlations, the environmental subdivisions of the Mesaverde Group were characterized as follows: (1) paralic (upper mixed-marine) zone, occurring in the uppermost Mesaverde Group, includes thick sandstone units which are interpreted to be regionally continuous, (2) fluvial zone, containing point-bars 20 to 30+ ft thick, is interpreted to be correlatable to a maximum of 6800 ft, and (3) paludal zone has insufficient data to adequately characterize the sand units. However, 63 percent of the units are correlatable across at least 139 ft. An approximation of the dimensional characteristics of Mesaverde sandstone units has potential applications in designing hydraulic fracturing treatments and estimating gas reserves more accurately. 15 figures, 2 tables.
Srinivasan, B.; Shumlak, U.
2011-09-15
The 5-moment two-fluid plasma model uses Euler equations to describe the ion and electron fluids and Maxwell's equations to describe the electric and magnetic fields. Two-fluid physics becomes significant when the characteristic spatial scales are on the order of the ion skin depth and characteristic time scales are on the order of the ion cyclotron period. The full two-fluid plasma model has disparate characteristic speeds ranging from the ion and electron speeds of sound to the speed of light. Two asymptotic approximations are applied to the full two-fluid plasma to arrive at the Hall-MHD model, namely negligible electron inertia and infinite speed of light. The full two-fluid plasma model and the Hall-MHD model are studied for applications to an electromagnetic plasma shock, geospace environmental modeling (GEM challenge) magnetic reconnection, an axisymmetric Z-pinch, and an axisymmetric field reversed configuration (FRC).
Xie, Y; Chen, Y; Wickerhauser, M; Deasy, J
2014-06-01
Purpose: The widely used treatment plan metric Dx (mimimum dose to the hottest x% by volume of the target volume) is simple to interpret and use, but is computationally poorly behaved (non-convex), this impedes its use in computationally efficient intensity-modulated radiotherapy (IMRT) treatment planning algorithms. We therefore searched for surrogate metrics that are concave, computationally efficient, and accurately correlated to Dx values in IMRT treatment plans. Methods: To find concave surrogates of D95and more generally, Dx values with variable x valueswe tested equations containing one or two generalized equivalent uniform dose (gEUD) functions. Fits were obtained by varying gEUD a parameter values, as well as the linear equation coefficients. Fitting was performed using a dataset of dose-volume histograms from 498 de-identified head and neck IMRT treatment plans. Fit characteristics were tested using a crossvalidation process. Reported root-mean-square error values were averaged over the cross-validation shuffles. Results: As expected, the two-gEUD formula provided a superior fit, compared to the single-gEUD formula. The best approximation uses two gEUD terms: 16.25 x gEUD[a=0.45] 15.30 x gEUD[a=1.75] 0.69. The average root-mean-square error on repeated (70/30) cross validation was 0.94 Gy. In addition, a formula was found that reasonably approximates Dx for x between 80% and 96%. Conclusion: A simple concave function using two gEUD terms was found that correlates well with PTV D95s for these head and neck treatment plans. More generally, a formula was found that represents well the Dx for x values from 80% to 96%, thus providing a computationally efficient formula for use in treatment planning optimization. The formula may need to be adjusted for other institutions with different treatment planning protocols. We conclude that the strategy of replacing Dx values with gEUD-based formulas is promising.
Kleinig, W.; Nesterenko, V. O.; Kvasil, J.; Vesely, P.; Reinhard, P.-G.
2008-10-15
The E1(T=1) isovector dipole giant resonance (GDR) in heavy and superheavy deformed nuclei is analyzed over a sample of 18 rare-earth nuclei, four actinides, and three chains of superheavy elements (Z=102, 114, and 120). The basis of the description is the self-consistent separable random-phase approximation (SRPA) using the Skyrme force SLy6. The model well reproduces the experimental data in the rare-earth and actinide regions. The trend of the resonance peak energies follows the estimates from collective models, showing a bias to the volume mode for the rare-earth isotopes and a mix of volume and surface modes for actinides and superheavy elements. The widths of the GDR are mainly determined by the Landau fragmentation, which in turn is found to be strongly influenced by deformation. A deformation splitting of the GDR can contribute to about one-third of the width, and about 1 MeV further broadening can be associated with mechanisms beyond the SRPA description (e.g., escape widths and coupling with complex configurations)
Dumitru, Adrian; Jalilian-Marian, Jamal
2010-10-01
Present knowledge of QCD n-point functions of Wilson lines at high energies is rather limited. In practical applications, it is therefore customary to factorize higher n-point functions into products of two-point functions (dipoles) which satisfy the Balitsky-Kovchegov-evolution equation. We employ the Jalilian-Marian-Iancu-McLerran-Weigert-Leonidov-Kovner formalism to derive explicit evolution equations for the 4- and 6-point functions of fundamental Wilson lines and show that if the Gaussian approximation is carried out before the rapidity evolution step is taken, then many leading order N{sub c} contributions are missed. Our evolution equations could specifically be used to improve calculations of forward dijet angular correlations, recently measured by the STAR Collaboration in deuteron-gold collisions at the RHIC collider. Forward dijets in proton-proton collisions at the LHC probe QCD evolution at even smaller light-cone momentum fractions. Such correlations may provide insight into genuine differences between the Jalilian-Marian-Iancu-McLerran-Weigert-Leonidov-Kovner and Balitsky-Kovchegov approaches.
de Stadler, M; Chand, K
2007-11-12
Gas centrifuges exhibit very complex flows. Within the centrifuge there is a rarefied region, a transition region, and a region with an extreme density gradient. The flow moves at hypersonic speeds and shock waves are present. However, the flow is subsonic in the axisymmetric plane. The analysis may be simplified by treating the flow as a perturbation of wheel flow. Wheel flow implies that the fluid is moving as a solid body. With the very large pressure gradient, the majority of the fluid is located very close to the rotor wall and moves at an azimuthal velocity proportional to its distance from the rotor wall; there is no slipping in the azimuthal plane. The fluid can be modeled as incompressible and subsonic in the axisymmetric plane. By treating the centrifuge as long, end effects can be appropriately modeled without performing a detailed boundary layer analysis. Onsager's pancake approximation is used to construct a simulation to model fluid flow in a gas centrifuge. The governing 6th order partial differential equation is broken down into an equivalent coupled system of three equations and then solved numerically. In addition to a discussion on the baseline solution, known problems and future work possibilities are presented.
Pascu, S.; Cata-Danil, Gh.; Zamfir, N. V.; Marginean, N.
2010-05-15
The interacting boson approximation (IBA) is employed in the present article to follow the structural evolution of the neutron-deficient nuclei from the Z=52-62 region. The IBA model parameters are determined to reproduce the properties of the low-lying positive parity excitations for a wide range of even-even collective nuclei. The parameters aim to describe simultaneously the existing electromagnetic data (energy levels, transition matrix elements, etc.) and hadronic ones (two-nucleon transfer intensities). It is shown that a simple Hamiltonian with only two terms is not adequate to describe the properties across this region. It is found that the octupole term plays an important role in reproducing the properties of the 2{sub g}amma{sup +} and 0{sub 2}{sup +} states, as well as in the description of the two-neutron transfer intensities patterns. A mapping of these parameters in the IBA symmetry triangle allows the comparison of representative trajectories for different isotopic chains.
Van Gorder, Robert A.
2014-06-15
In his study of superfluid turbulence in the low-temperature limit, Svistunov [Superfluid turbulence in the low-temperature limit, Phys. Rev. B 52, 3647 (1995)] derived a Hamiltonian equation for the self-induced motion of a vortex filament. Under the local induction approximation (LIA), the Svistunov formulation is equivalent to a nonlinear dispersive partial differential equation. In this paper, we consider a family of rotating vortex filament solutions for the LIA reduction of the Svistunov formulation, which we refer to as the 2D LIA (since it permits a potential formulation in terms of two of the three Cartesian coordinates). This class of solutions holds the well-known Hasimoto-type planar vortex filament [H. Hasimoto, Motion of a vortex filament and its relation to elastica, J. Phys. Soc. Jpn. 31, 293 (1971)] as one reduction and helical solutions as another. More generally, we obtain solutions which are periodic in the space variable. A systematic analytical study of the behavior of such solutions is carried out. In the case where vortex filaments have small deviations from the axis of rotation, closed analytical forms of the filament solutions are given. A variety of numerical simulations are provided to demonstrate the wide range of rotating filament behaviors possible. Doing so, we are able to determine a number of vortex filament structures not previously studied. We find that the solution structure progresses from planar to helical, and then to more intricate and complex filament structures, possibly indicating the onset of superfluid turbulence.
Couch, Sean M.; Graziani, Carlo; Flocke, Norbert
2013-12-01
Self-gravity computation by multipole expansion is a common approach in problems such as core-collapse and Type Ia supernovae, where single large condensations of mass must be treated. The standard formulation of multipole self-gravity in arbitrary coordinate systems suffers from two significant sources of error, which we correct in the formulation presented in this article. The first source of error is due to the numerical approximation that effectively places grid cell mass at the central point of the cell, then computes the gravitational potential at that point, resulting in a convergence failure of the multipole expansion. We describe a new scheme that avoids this problem by computing gravitational potential at cell faces. The second source of error is due to sub-optimal choice of location for the expansion center, which results in angular power at high multipole l values in the gravitational field, requiring a highand expensivevalue of multipole cutoff l {sub max}. By introducing a global measure of angular power in the gravitational field, we show that the optimal coordinate for the expansion is the square-density-weighted mean location. We subject our new multipole self-gravity algorithm, implemented in the FLASH simulation framework, to two rigorous test problems: MacLaurin spheroids for which exact analytic solutions are known, and core-collapse supernovae. We show that key observables of the core-collapse simulations, particularly shock expansion, proto-neutron star motion, and momentum conservation, are extremely sensitive to the accuracy of the multipole gravity, and the accuracy of their computation is greatly improved by our reformulated solver.
Hietala, Niklas Hnninen, Risto
2014-11-15
Van Gorder considers a formulation of the local induction approximation, which allows the vortex to move in the direction of the reference axis [General rotating quantum vortex filaments in the low-temperature Svistunov model of the local induction approximation, Phys. Fluids 26, 065105 (2014)]. However, in his analytical and numerical study he does not use it. A mistake in the torsion of a helical vortex is also corrected.
Rogers, J.; Porter, K.
2012-03-01
This paper updates previous work that describes time period-based and other approximation methods for estimating the capacity value of wind power and extends it to include solar power. The paper summarizes various methods presented in utility integrated resource plans, regional transmission organization methodologies, regional stakeholder initiatives, regulatory proceedings, and academic and industry studies. Time period-based approximation methods typically measure the contribution of a wind or solar plant at the time of system peak - sometimes over a period of months or the average of multiple years.
Adamech, M.; ?erni?kov, I.; ?urika, L.; Kolesr, V.; Drienovsk, M.; Bednar?k, J.; Svoboda, M.; Janovec, J.
2014-11-15
The evolution of phases was investigated on cooling of Al{sub 71}Pd{sub 24}Cr{sub 5}, Al{sub 73}Pd{sub 20}Cr{sub 7}, and Al{sub 73}Pd{sub 23}Cr{sub 4} alloys from 1350 C down to ambient temperature with the rate of 10 Cmin{sup ?1}. To perform the investigation, differential thermal analysis, synchrotron X-ray powder diffraction, and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy were used. In all the investigated alloys structurally complex phases ?{sub n} (?{sub 6} + ?{sub 28}) and ?{sub b}, as well as the ?-phase were identified. Based on the results of differential thermal analysis, sequences of phase transformations were determined. The Al{sub 71}Pd{sub 24}Cr{sub 5} alloy started to solidify at 1031.4 C through ?. Primary dendrites of ?{sub b} were observed in Al{sub 73}Pd{sub 20}Cr{sub 7} and Al{sub 73}Pd{sub 23}Cr{sub 4} alloys. In the second step of solidification ? and/or ?{sub b} were formed. The peritectic reaction, liquid + ?{sub b} + ? ? ?{sub n} + ?{sub b} + ?, leading to the formation of the quasicrystalline approximant ?{sub n} (?{sub 6} + ?{sub 28}) took place in the final step of solidification at approximately 792 C. - Highlights: Structurally complex ?{sub n} (?{sub 6} + ?{sub 28}), ?{sub b} and ?-phases were identified. The Al{sub 71}Pd{sub 24}Cr{sub 5} alloy started to solidify at 1031.4 C through the primary ? phase. The Al{sub 73}Pd{sub 20}Cr{sub 7} and Al{sub 73}Pd{sub 23}Cr{sub 4} alloys solidified in the same way. The quasicrystalline approximant ?{sub n} (?{sub 6} + ?{sub 28}) was formed at approximately 792 C.
Gambacurta, D.; Catara, F.
2011-09-15
Low-energy dipole excitations are analyzed for the stable isotopes {sup 40}Ca and {sup 48}Ca in the framework of the Skyrme-second random-phase approximation. The corresponding random-phase approximation calculations provide a negligible strength distribution for both nuclei in the energy region from 5 to 10 MeV. The inclusion and the coupling of 2 particle-2 hole configurations in the second random-phase approximation lead to an appreciable dipole response at low energies for the neutron-rich nucleus {sup 48}Ca. The presence of a neutron skin in the nucleus {sup 48}Ca would suggest the interpretation of the low-lying response in terms of a pygmy excitation. The composition of the excitation modes (content of 1 particle-1 hole and 2 particle-2 hole configurations), their transition densities and their collectivity (number and coherence of the different contributions) are analyzed. This analysis indicates that, in general, these excitations cannot be clearly interpreted in terms of oscillations of the neutron skin against the core with the exception of the peak with the largest B(E1) value, which is located at 9.09 MeV. For this peak the neutron transition density dominates and the neutron and proton transition densities oscillate out of phase in the internal part of the nucleus leading to a strong mixing of isoscalar and isovector components. Therefore, this state shows some features usually associated to pygmy resonances.
Zhang, Zhaojun; Chen, Jun; Liu, Shu; Zhang, Dong H.
2014-06-14
The initial state selected time-dependent wave packet method has been extended to calculate the coupled-channel reaction probabilities with total angular momentum J{sub tot} > 0 for the title reaction with seven degrees of freedom included. Fully converged integral cross sections were obtained for the ground and a number of vibrational excited initial states on a new potential energy surface recently constructed by this group using neural network fitting. As found from a previous study with the centrifugal sudden (CS) approximation, all these initial vibrational excitations investigated in this study enhance the reactivity considerably at a given collision energy, in particular the CH stretch excited state. The energy initially deposited in CH stretch motion is more effective than translational energy on promoting the reaction in the entire energy region, while for CH bending or CD{sub 3} umbrella excitations only at the high collision energy the vibrational energy becomes more effective. Our calculations also revealed that the accuracy of the CS approximation considerably deteriorates with the increase of J{sub tot}, in particular on the threshold energy. The CS approximation underestimates the integral cross sections for all these initial states, albeit not very severely. In general, it works better at high collision energies and for vibrationally excited initial states, with the increase of integral cross section.
Van Gorder, Robert A.
2014-11-15
In R. A. Van Gorder, General rotating quantum vortex filaments in the low-temperature Svistunov model of the local induction approximation, Phys. Fluids 26, 065105 (2014) I discussed properties of generalized vortex filaments exhibiting purely rotational motion under the low-temperature Svistunov model of the local induction approximation. Such solutions are stationary in terms of translational motion. In the Comment [N. Hietala, Comment on General rotating quantum vortex filaments in the low-temperature Svistunov model of the local induction approximation [Phys. Fluids 26, 065105 (2014)], Phys. Fluids 26, 119101 (2014)], the author criticizes my paper for not including translational motion (although it was clearly stated that the filament motion was assumed rotational). As it turns out, if one is interested in studying the geometric structure of solutions (which was the point of my paper), one obtains the needed qualitative results on the structure of such solutions by studying the purely rotational case. Nevertheless, in this Response I shall discuss the vortex filaments that have both rotational and translational motions. I then briefly discuss why one might want to study such generalized rotating filament solutions, in contrast to simple the standard helical or planar examples (which are really special cases). I also discuss how one can study the time evolution of filaments which exhibit more complicated dynamics than pure translation and rotation. Doing this, one can study non-stationary solutions which initially appear purely rotational and gradually display other dynamics as the filaments evolve.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Tang, J. Y.
2015-12-01
The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use either of the two are often ambiguous. Here I show that these two kinetics are special approximations to the equilibrium chemistry approximation (ECA) kinetics, which is the first-order approximation to the quadratic kinetics that solves the equation of an enzyme–substrate complex exactly for a single-enzyme and single-substrate biogeochemical reaction with the law of mass action and the assumption of a quasi-steadymore » state for the enzyme–substrate complex and that the product genesis from enzyme–substrate complex is much slower than the equilibration between enzyme–substrate complexes, substrates, and enzymes. In particular, I show that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in deriving the equilibrium chemistry approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln k2+ of the reaction velocity v with respect to the maximum product genesis rate k2+, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln k1+ of v with respect to the intrinsic substrate affinity k1+, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln [E]T of v with respect the total enzyme concentration [E]T, and persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln [S]T of v with respect to the total substrate concentration [S]T. Meanwhile, the reverse Michaelis–Menten kinetics persistently underpredicts ∂ ln v / ∂ ln k2+ and ∂ ln v / ∂ ln [E]T, and persistently overpredicts ∂ ln v / ∂ ln k1+ and ∂ ln v / ∂ ln [S]T. In contrast, the equilibrium chemistry approximation kinetics always gives consistent predictions of ∂ ln v / ∂ ln k2+, ∂ ln v / ∂ ln k1+, ∂ ln v / ∂ ln [E]T, and ∂ ln v / ∂ ln [S]T, indicating that ECA-based models will be more calibratable if the modeled processes do obey the law of mass action. Since the equilibrium chemistry approximation kinetics includes advantages from both the Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics and it is applicable for almost the whole range of substrate and enzyme abundances, land biogeochemical modelers therefore no longer need to choose when to use the Michaelis–Menten kinetics or the reverse Michaelis–Menten kinetics. I expect that removing this choice ambiguity will make it easier to formulate more robust and consistent land biogeochemical models.« less
Xu, Zhuo Gu, Bo; Mori, Michiyasu; Maekawa, Sadamichi; Ziman, Timothy
2015-05-07
We analyze the spin Hall effect in CuIr alloys in theory by the combined approach of the density functional theory (DFT) and Hartree-Fock (HF) approximation. The spin Hall angle (SHA) is obtained to be negative without the local correlation effects. After including the local correlation effects of the 5d orbitals of Ir impurities, the SHA becomes positive with realistic correlation parameters and consistent with experiment [Niimi et al., Phys. Rev. Lett. 106, 126601 (2011)]. Moreover, our analysis shows that the DFT?+?HF approach is a convenient and general method to study the influence of local correlation effects on the spin Hall effect.
Gambacurta, D.; Grasso, M.; Catara, F.
2012-10-20
The low-lying dipole strength distributions of {sup 40}CaCa and {sup 48}Ca, in the energy region between 5 and 10 MeV, are studied within the second random phase approximation (RPA) with Skyrme interaction. Standard RPA models do not usually predict any presence of strength in this energy region, while experimentally a significant amount of strength is found. The inclusion of the 2 particle -2 hole configurations allows to obtain a description in a rather good agreement with the experimental data. The properties of the most collective state are analyzed in terms of its 1 particle -1 hole nature and its transition densities.
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013C This space is reserved for the Procedia header, do not use it On the scalability of the Albany/FELIX first-order Stokes approximation ice sheet solver for large-scale simulations of the Greenland and Antarctic ice sheets Irina Kalashnikova1, Raymond S. Tuminaro2, Mauro Perego2, Andrew G. Salinger2, and Stephen F. Price3 1 Quantitative Modeling & Analysis Dept., Sandia National Laboratories, Livermore, CA, USA Phone: (925)294-2474, E-mail: ikalash@sandia.gov 2 Computational Mathematics
Hietala, Niklas Hnninen, Risto
2014-01-15
We comment on the paper by Van Gorder [Motion of a helical vortex filament in superfluid {sup 4}He under the extrinsic form of the local induction approximation, Phys. Fluids 25, 085101 (2013)]. We point out that the flow of the normal fluid component parallel to the vortex will often lead into the DonnellyGlaberson instability, which will cause the amplification of the Kelvin wave. We explain why the comparison to local nonlinear equation is unreasonable, and remark that neglecting the motion in the x-direction is not reasonable for a Kelvin wave with an arbitrary wavelength and amplitude. The correct equations in the general case are also derived.
Aquino, Fredy W.; Govind, Niranjan; Autschbach, Jochen
2011-10-01
Density functional theory (DFT) calculations of NMR chemical shifts and molecular g-tensors with Gaussian-type orbitals are implemented via second-order energy derivatives within the scalar relativistic zeroth order regular approximation (ZORA) framework. Nonhybrid functionals, standard (global) hybrids, and range-separated (Coulomb-attenuated, long-range corrected) hybrid functionals are tested. Origin invariance of the results is ensured by use of gauge-including atomic orbital (GIAO) basis functions. The new implementation in the NWChem quantum chemistry package is verified by calculations of nuclear shielding constants for the heavy atoms in HX (X=F, Cl, Br, I, At) and H2X (X = O, S, Se, Te, Po), and Te chemical shifts in a number of tellurium compounds. The basis set and functional dependence of g-shifts is investigated for 14 radicals with light and heavy atoms. The problem of accurately predicting F NMR shielding in UF6-nCln, n = 1 to 6, is revisited. The results are sensitive to approximations in the density functionals, indicating a delicate balance of DFT self-interaction vs. correlation. For the uranium halides, the results with the range-separated functionals are mixed.
Chew, Peter A; Bader, Brett W
2012-10-16
A technique for information retrieval includes parsing a corpus to identify a number of wordform instances within each document of the corpus. A weighted morpheme-by-document matrix is generated based at least in part on the number of wordform instances within each document of the corpus and based at least in part on a weighting function. The weighted morpheme-by-document matrix separately enumerates instances of stems and affixes. Additionally or alternatively, a term-by-term alignment matrix may be generated based at least in part on the number of wordform instances within each document of the corpus. At least one lower rank approximation matrix is generated by factorizing the weighted morpheme-by-document matrix and/or the term-by-term alignment matrix.
Chen, P. H.; Avchachov, K.; Nordlund, K.; Pussi, K.
2013-06-21
Due to the peculiar nature of the atomic order in quasicrystals, examining phase transitions in this class of materials is of particular interest. Energetic particle irradiation can provide a way to modify the structure locally in a quasicrystal. To examine irradiation-induced phase transitions in quasicrystals on the atomic scale, we have carried out molecular dynamics simulations of collision cascades in CaCd{sub 6} quasicrystal cubic approximant with energies up to 10 keV at 0 and 300 K. The results show that the threshold energies depend surprisingly strongly on the local coordination environments. The energy dependence of stable defect formation exhibits a power-law dependence on cascade energy, and surviving defects are dominated by Cd interstitials and vacancies. Only a modest effect of temperature is observed on defect survival, while irradiation temperature increases lead to a slight increase in the average size of both vacancy clusters and interstitial clusters.
Developing, Staffing, and Overseeing a State Energy Savings Performance Contracting Program
Broader source: Energy.gov [DOE]
U.S. Department of Energy (DOE) Technical Assistance Program (TAP) webinar held on March 26, 2013, dealing with energy savings performance contracting.
Mardirossian, Narbe; Head-Gordon, Martin
2014-05-14
The limit of accuracy for semi-empirical generalized gradient approximation (GGA) density functionals is explored by parameterizing a variety of local, global hybrid, and range-separated hybrid functionals. The training methodology employed differs from conventional approaches in 2 main ways: (1) Instead of uniformly truncating the exchange, same-spin correlation, and opposite-spin correlation functional inhomogeneity correction factors, all possible fits up to fourth order are considered, and (2) Instead of selecting the optimal functionals based solely on their training set performance, the fits are validated on an independent test set and ranked based on their overall performance on the training and test sets. The 3 different methods of accounting for exchange are trained both with and without dispersion corrections (DFT-D2 and VV10), resulting in a total of 491508 candidate functionals. For each of the 9 functional classes considered, the results illustrate the trade-off between improved training set performance and diminished transferability. Since all 491508 functionals are uniformly trained and tested, this methodology allows the relative strengths of each type of functional to be consistently compared and contrasted. The range-separated hybrid GGA functional paired with the VV10 nonlocal correlation functional emerges as the most accurate form for the present training and test sets, which span thermochemical energy differences, reaction barriers, and intermolecular interactions involving lighter main group elements.
Martini, M.; Peru, S.; Dupuis, M.
2011-03-15
Low-energy dipole excitations in neon isotopes and N=16 isotones are calculated with a fully consistent axially-symmetric-deformed quasiparticle random phase approximation (QRPA) approach based on Hartree-Fock-Bogolyubov (HFB) states. The same Gogny D1S effective force has been used both in HFB and QRPA calculations. The microscopical structure of these low-lying resonances, as well as the behavior of proton and neutron transition densities, are investigated in order to determine the isoscalar or isovector nature of the excitations. It is found that the N=16 isotones {sup 24}O, {sup 26}Ne, {sup 28}Mg, and {sup 30}Si are characterized by a similar behavior. The occupation of the 2s{sub 1/2} neutron orbit turns out to be crucial, leading to nontrivial transition densities and to small but finite collectivity. Some low-lying dipole excitations of {sup 28}Ne and {sup 30}Ne, characterized by transitions involving the {nu}1d{sub 3/2} state, present a more collective behavior and isoscalar transition densities. A collective proton low-lying excitation is identified in the {sup 18}Ne nucleus.
Ball, J.R.
1986-04-01
This document is a supplement to a ''Handbook for Cost Estimating'' (NUREG/CR-3971) and provides specific guidance for developing ''quick'' approximate estimates of the cost of implementing generic regulatory requirements for nuclear power plants. A method is presented for relating the known construction costs for new nuclear power plants (as contained in the Energy Economic Data Base) to the cost of performing similar work, on a back-fit basis, at existing plants. Cost factors are presented to account for variations in such important cost areas as construction labor productivity, engineering and quality assurance, replacement energy, reworking of existing features, and regional variations in the cost of materials and labor. Other cost categories addressed in this handbook include those for changes in plant operating personnel and plant documents, licensee costs, NRC costs, and costs for other government agencies. Data sheets, worksheets, and appropriate cost algorithms are included to guide the user through preparation of rough estimates. A sample estimate is prepared using the method and the estimating tools provided.
Kauweloa, K; Gutierrez, A; Bergamo, A; Stathakis, S; Papanikolaou, N; Mavroidis, P
2014-06-01
Purpose: There is growing interest about biological effective dose (BED) and its application in treatment plan evaluation due to its stronger correlation with treatment outcome. An approximate biological effective dose (BEDA) equation was introduced to simplify BED calculations by treatment planning systems in multi-phase treatments. The purpose of this work is to reveal its mathematical properties relative to the true, multi-phase BED (BEDT) equation. Methods: The BEDT equation was derived and used to reveal the mathematical properties of BEDA. MATLAB (MathWorks, Natick, MA) was used to simulate and analyze common and extreme clinical multi-phase cases. In those cases, percent error (Perror) and Bland-Altman analysis were used to study the significance of the inaccuracies of BEDA for different combinations of total doses, numbers of fractions, doses per fractions and ? over ? values. All the calculations were performed on a voxel-basis in order to study how dose distributions would affect the accuracy of BEDA. Results: When the voxel dose-per-fractions (DPF) delivered by both phases are equal, BEDA and BEDT are equal. In heterogeneous dose distributions, which significantly vary between the phases, there are fewer occurrences of equal DPFs and hence the imprecision of BEDA is greater. It was shown that as the ? over ? ratio increased the accuracy of BEDA would improve. Examining twenty-four cases, it was shown that the range of DPF ratios for a 3 Perror varied from 0.32 to 7.50Gy, whereas for Perror of 1 the range varied from 0.50 to 2.96Gy. Conclusion: The DPF between the different phases should be equal in order to render BEDA accurate. OARs typically receive heterogeneous dose distributions hence the probability of equal DPFs is low. Consequently, the BEDA equation should only be used for targets or OARs that receive uniform or very similar dose distributions by the different treatment phases.
Badano, Aldo; Freed, Melanie; Fang Yuan
2011-04-15
Purpose: The authors describe the modifications to a previously developed analytical model of indirect CsI:Tl-based detector response required for studying oblique x-ray incidence effects in direct semiconductor-based detectors. This first-order approximation analysis allows the authors to describe the associated degradation in resolution in direct detectors and compare the predictions to the published data for indirect detectors. Methods: The proposed model is based on a physics-based analytical description developed by Freed et al. [''A fast, angle-dependent, analytical model of CsI detector response for optimization of 3D x-ray breast imaging systems,'' Med. Phys. 37(6), 2593-2605 (2010)] that describes detector response functions for indirect detectors and oblique incident x rays. The model, modified in this work to address direct detector response, describes the dependence of the response with x-ray energy, thickness of the transducer layer, and the depth-dependent blur and collection efficiency. Results: The authors report the detector response functions for indirect and direct detector models for typical thicknesses utilized in clinical systems for full-field digital mammography (150 {mu}m for indirect CsI:Tl and 200 {mu}m for a-Se direct detectors). The results suggest that the oblique incidence effect in a semiconductor detector differs from that in indirect detectors in two ways: The direct detector model produces a sharper overall PRF compared to the response corresponding to the indirect detector model for normal x-ray incidence and a larger relative increase in blur along the x-ray incidence direction compared to that found in indirect detectors with respect to the response at normal incidence angles. Conclusions: Compared to the effect seen in indirect detectors, the direct detector model exhibits a sharper response at normal x-ray incidence and a larger relative increase in blur along the x-ray incidence direction with respect to the blur in the orthogonal direction. The results suggest that the oblique incidence effect in direct detectors can be considered to be caused mostly by the geometry of the path where the x-ray beam and its secondary particles deposit energy in the semiconductor layer.
ANALOG QUANTUM NEURON FOR FUNCTIONS APPROXIMATION (Conference...
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of Energy (US) Country of Publication: United States Language: English Subject: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; IMPLEMENTATION; NERVE CELLS; WAVEGUIDES...
ANALOG QUANTUM NEURON FOR FUNCTIONS APPROXIMATION (Conference...
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LA-UR-01-2580 TRN: AH200124%%156 DOE Contract Number: W-7405-ENG-36 Resource Type: Conference Resource Relation: Conference: Conference title not supplied, Conference location...
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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
Van Gorder, Robert A.
2014-01-15
I agree with the authors regarding their comments on the Donnelly-Glaberson instability for such helical filaments as those obtained in my paper. I also find merit in their derivation of the quantum LIA (local induction approximation) in the manner of the LIA of Boffetta et al. However, I disagree with the primary criticisms of Hietala and Hnninen. In particular, though they suggest LIA and local nonlinear equation modes are not comparable since the former class of models contains superfluid friction parameters, note that since these parameters are small one may take them to zero and consider a qualitative comparison of the models (which is what was done in my paper). Second, while Hietala and Hnninen criticize certain assumptions made in my paper (and the paper of Shivamoggi where the model comes from) since the results break-down when Ak ? ?, note that in my paper I state that any deviations from the central axis along which the filament is aligned must be sufficiently bounded in variation. Therefore, it was already acknowledged that Ak(=|?{sub x}|) should be sufficiently bounded, precluding the Ak ? ? case. I also show that, despite what Hietala and Hnninen claim, the dispersion relation obtained in my paper is consistent with LIA, where applicable. Finally, while Hietala and Hnninen claim that the dispersion parameter should be complex valued, I show that their dispersion relation is wrong, since it was derived incorrectly (they assume the complex modulus of the potential function is constant, yet then use this to obtain a potential function with non-constant modulus)
The Monte Carlo Independent Column Approximation Model Intercomparison
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The theory of relativity suggested that the energy quanta of light should also be quanta of momentum as well. Yet the new quantum theories of the day were proving accurate even though the momenta of light quanta hadn't been accounted for. Would these quantum theories still prove accurate when momentum was included? A B C A. Momentum Any material object is a lump of energy. That is a major implication of Einstein's equation "E=mc2". Einstein showed how the mass of an object is a
Chasing the limits of the one electron approximation
K?dziera, Dariusz; Mentel, ?ukasz M.
2014-10-06
Rapid progress in the development of computational methods for quantum chemistry is not properly balanced by the development of basis sets. Even in the case of few-electron systems it is hard to find basis set which are able to reproduce the ECG benchmarks with the mhartree accuracy. In this paper we show early work on improvements of the basis sets for small atomic and molecular systems. As a starting point the ground state of lithium atom and the lowest states of lithium dimer will be investigated. The exploratory optimization of the exponents of primitive gaussians will be based on even tempered scheme combined with CISD method.
SHOCK EMERGENCE IN SUPERNOVAE: LIMITING CASES AND ACCURATE APPROXIMATIONS
Ro, Stephen; Matzner, Christopher D.
2013-08-10
We examine the dynamics of accelerating normal shocks in stratified planar atmospheres, providing accurate fitting formulae for the scaling index relating shock velocity to the initial density and for the post-shock acceleration factor as functions of the polytropic and adiabatic indices which parameterize the problem. In the limit of a uniform initial atmosphere, there are analytical formulae for these quantities. In the opposite limit of a very steep density gradient, the solutions match the outcome of shock acceleration in exponential atmospheres.
Summation by Parts Finite Difference Approximations for Seismic...
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Report Number(s): LLNL-PROC-659087 DOE Contract Number: DE-AC52-07NA27344 Resource Type: Conference Resource Relation: Conference: Presented at: International Conference on ...
Multigroup Free-atom Doppler-broadening Approximation. Theory
Gray, Mark Girard
2015-11-06
Multigroup cross sections at a one target temperature can be Doppler-broadened to multigroup cross sections at a higher target temperature by matrix multiplication if the group structure suf- ficiently resolves the original temperature continuous energy cross section. Matrix elements are the higher temperature group weighted averages of the integral over the lower temperature group boundaries of the free-atom Doppler-broadening kernel. The results match theory for constant and 1/v multigroup cross sections at 618 lanl group structure resolution.
Summation by Parts Finite Difference Approximations for Seismic...
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Country of Publication: United States Language: English Subject: 97 MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE Word Cloud More Like This Full Text preview image File size N...
Approximate photochemical dynamics of azobenzene with reactive force fields
Li, Yan; Hartke, Bernd
2013-12-14
We have fitted reactive force fields of the ReaxFF type to the ground and first excited electronic states of azobenzene, using global parameter optimization by genetic algorithms. Upon coupling with a simple energy-gap transition probability model, this setup allows for completely force-field-based simulations of photochemical cis?trans- and trans?cis-isomerizations of azobenzene, with qualitatively acceptable quantum yields. This paves the way towards large-scale dynamics simulations of molecular machines, including bond breaking and formation (via the reactive force field) as well as photochemical engines (presented in this work)
Tests of Monte Carlo Independent Column Approximation With a...
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Jrvenoja Heikki Jrvinen Risnen Finnish Meteorological Institute Figure 1. Root-mean-square sampling errors in local instant- aneous total (LW+SW) net flux at the surface...
Testing of the Modified Anomalous Diffraction Approximation with...
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(x D eff ) resulted in a wide variation in Q ext values, posing a challenging test of theory. Using a photon-tunneling factor around 0.6, the mean difference between...
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implemented. Monthly 4. Project management staffing Is project staffing adequate in terms of number and qualifications? Assessment scale from 1 (poor) to 5 (excellent)....
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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.
Ribeiro, M.
2015-06-21
Ab initio calculations of hydrogen-passivated Si nanowires were performed using density functional theory within LDA-1/2, to account for the excited states properties. A range of diameters was calculated to draw conclusions about the ability of the method to correctly describe the main trends of bandgap, quantum confinement, and self-energy corrections versus the diameter of the nanowire. Bandgaps are predicted with excellent accuracy if compared with other theoretical results like GW, and with the experiment as well, but with a low computational cost.
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Window-based method for approximating the Hausdorff in three-dimensional range imagery
Koch, Mark W.
2009-06-02
One approach to pattern recognition is to use a template from a database of objects and match it to a probe image containing the unknown. Accordingly, the Hausdorff distance can be used to measure the similarity of two sets of points. In particular, the Hausdorff can measure the goodness of a match in the presence of occlusion, clutter, and noise. However, existing 3D algorithms for calculating the Hausdorff are computationally intensive, making them impractical for pattern recognition that requires scanning of large databases. The present invention is directed to a new method that can efficiently, in time and memory, compute the Hausdorff for 3D range imagery. The method uses a window-based approach.
Exact and approximate dynamics of the quantum mechanical O(N...
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conditions consistent with O(N) symmetry, one of them a quantum roll, the other a wave packet initially to one side of the potential minimum, whose center has all coordinates...
Testing the Monte Carlo-mean field approximation in the one-band...
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Publisher: American Physical Society Sponsoring Org: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22) Country of Publication: United States Language: English Word ...
Engineering approximations in welding: Bridging the gap between the speculation and simulation
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Robino, Charles V.
2016-01-15
During the course of their careers, welding engineers and welding metallurgists are often confronted with questions regarding welding process and properties that on the surface appear to be simple and direct, but are in fact quite challenging. These questions generally mask an underlying complexity whose underpinnings in scientific and applied research predate even the founding of the American Welding Society, and previous Comfort A. Adams lectures provide ample and fascinating evidence of the breadth and depth of this complexity. Using these studies or their own experiences and investigations as a basis, most welding and materials engineers have developed engineering toolsmore » to provide working approaches to these day-to-day questions and problems. In this article several examples of research into developing working approaches to welding problems are presented.« less
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Stracuzzi, David John; Brost, Randolph C.; Phillips, Cynthia A.; Robinson, David G.; Wilson, Alyson G.; Woodbridge, Diane M. -K.
2015-09-26
Geospatial semantic graphs provide a robust foundation for representing and analyzing remote sensor data. In particular, they support a variety of pattern search operations that capture the spatial and temporal relationships among the objects and events in the data. However, in the presence of large data corpora, even a carefully constructed search query may return a large number of unintended matches. This work considers the problem of calculating a quality score for each match to the query, given that the underlying data are uncertain. As a result, we present a preliminary evaluation of three methods for determining both match qualitymore » scores and associated uncertainty bounds, illustrated in the context of an example based on overhead imagery data.« less
Minimally allowed neutrinoless double beta decay rates from approximate flavor symmetries
Jenkins, James [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States) and Northwestern University, Department of Physics and Astronomy, Evanston, Illinois 60208 (United States)
2009-06-01
Neutrinoless double beta decay ({beta}{beta}0{nu}) is among the only realistic probes of Majorana neutrinos. In the standard scenario, dominated by light neutrino exchange, the process amplitude is proportional to m{sub ee}, the e-e element of the Majorana mass matrix. Naively, current data allow for vanishing m{sub ee}, but this should be protected by an appropriate flavor symmetry. All such symmetries lead to mass matrices inconsistent with oscillation phenomenology. I perform a spurion analysis to break all possible Abelian symmetries that guarantee vanishing {beta}{beta}0{nu} rates and search for minimally allowed values. I survey 230 broken structures to yield m{sub ee} values and current phenomenological constraints under a variety of scenarios. This analysis also extracts predictions for both neutrino oscillation parameters and kinematic quantities. Assuming reasonable tuning levels, I find that m{sub ee}>4x10{sup -6} eV at 99% confidence. Bounds below this value might indicate the Dirac neutrino nature or the existence of new light (eV-MeV scale) degrees of freedom that can potentially be probed elsewhere.
Approximate models for the ion-kinetic regime ininertial-confinement...
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... Search orcid.org for ORCID "000000017274236X" ; Zylstra, Alex B. 3 ; Johnson, Maria Gatu 3 ; Sguin, Fredrick H. 3 ; Frenje, Johan A. 3 Search SciTech Connect for ...
First approximations of phonon thermal transport at solid-graphite interfaces.
Hopkins, Patrick E.; Norris, Pamela M.; Beechem, Thomas Edwin, Iii; Smoyer, Justin L.; Duda, John C.
2010-04-01
This model predicts thermal boundary conductance at interfaces where one material comprising the junction is characterized by high elastic anisotropy (i.e, graphite). The thermal properties of graphite are determined through a simplified vibrational model, where the bulk structure is treated as an linear assembly of two-dimensional systems. This model is validated at temperatures above cryogenic through comparison to experimentally determined values of specific heat. Elastic processes are accounted for through traditional diffuse transport theory. Inelastic contributions due to multi-phonon processes are also addressed and quantified.
Marshalek, Eugene R.
2006-10-15
For the first time, complete quantal expressions are provided for the intrinsic components of the quadrupole tensor in the geometric Holstein-Primakoff representation of the IBA-1. These expressions are valid throughout the Casten triangle.
Logan, R.W.
1996-03-01
During deep-drawing, two issues manifest themselves that are due to normal and planar anisotropy in the sheet. These are a dependence of the Limiting Draw Ratio (LDR) on the average thinning ratio (R-value), and a dependence of ear formation and thinning around the circumference on the variation of R-value in the plane of the sheet. The quadratic (1948 Hill) yield surface has been applied to these issues and it has been demonstrated that there are numerous higher exponent yield criteria that may more closely duplicate experimental trends. These predict varying degrees of R-value dependencies of uniaxial yields and strength ratios in multiaxial loading paths. The result of this is that there are sometimes subtle and sometimes substantial differences in the predictions of the various yield surfaces on deep drawing regarding LDR and earing. Additional differences arise due to the way the shear term (45-degree yield) and the 0-degree vs. 90-degree strengths are treated in each criterion. These dependencies (in-plane strengths generated by the yield surfaces) are shown to affect the results of both LDR and earing during cupping. In particular, the 1979 Hosford and 1989 Barlat (Tricomponent) criteria, although identical for the normal anisotropy (planar isotropy) case, are strikingly different for cases where there are differences at 45 degrees and 90 degrees from the rolling direction.
Minimally allowed beta beata 0_nu rates from approximate flavor symmetries
Jenkins, James [Los Alamos National Laboratory
2008-01-01
Neutrinoless double beta decay ({beta}{beta}0{nu}) is the only realistic probe of Majorana neutrinos. In the standard scenario, dominated by light neutrino exchange, the process amplitude is proportional to m{sub ee} , the e - e element of the Majorana mass matrix. This is expected to hold true for small {beta}{beta}{nu} rates ({Gamma}{sub {beta}{beta}0{nu}}), even in the presence of new physics. Naively, current data allows for vanishing m{sub ee} , but this should be protected by an appropriate flavor symmetry. All such symmetries lead to mass matrices inconsistent with oscillation phenomenology. Hence, Majorana neutrinos imply nonzero {Gamma}{sub {beta}{beta}0{nu}}. I perform a spurion analysis to break all possible abelian symmetries that guarantee {Gamma}{sub {beta}{beta}0{nu}} = 0 and search for minimally allowed m{sub ee} values. Specifically, I survey 259 broken structures to yield m{sub ee} values and current phenomenological constraints under a variety of scenarios. This analysis also extracts predictions for both neutrino oscillation parameters and kinematic quantities. Assuming reasonable tuning levels, I find that m{sub ee} > 4 x 10{sup -6} eV at 99% confidence. Bounds below this value would indicate the Dirac neutrino nature or the existence of new light (eV-MeV scale) degrees of freedom that can potentially be probed elsewhere. This limit can be raised by improvements in neutrino parameter measurements, particularly of the reactor mixing angle, depending on the best fit parameter values. Such improvements will also significantly constrain the available model space and aid in future constructions.
Stracuzzi, David John; Brost, Randolph C.; Phillips, Cynthia A.; Robinson, David G.; Wilson, Alyson G.; Woodbridge, Diane M. -K.
2015-09-26
Geospatial semantic graphs provide a robust foundation for representing and analyzing remote sensor data. In particular, they support a variety of pattern search operations that capture the spatial and temporal relationships among the objects and events in the data. However, in the presence of large data corpora, even a carefully constructed search query may return a large number of unintended matches. This work considers the problem of calculating a quality score for each match to the query, given that the underlying data are uncertain. As a result, we present a preliminary evaluation of three methods for determining both match quality scores and associated uncertainty bounds, illustrated in the context of an example based on overhead imagery data.
Brownian motors in the low-energy approximation: Classification and properties
Rozenbaum, V. M.
2010-04-15
We classify Brownian motors based on the expansion of their velocity in terms of the reciprocal friction coefficient. The two main classes of motors (with dichotomic fluctuations in homogeneous force and periodic potential energy) are characterized by different analytical dependences of their mean velocity on the spatial and temporal asymmetry coefficients and by different adiabatic limits. The competition between the spatial and temporal asymmetries gives rise to stopping points. The transition through these points can be achieved by varying the asymmetry coefficients, temperature, and other motor parameters, which can be used, for example, for nanoparticle segregation. The proposed classification separates out a new type of motors based on synchronous fluctuations in symmetric potential and applied homogeneous force. As an example of this type of motors, we consider a near-surface motor whose two-dimensional motion (parallel and perpendicular to the substrate plane) results from fluctuations in external force inclined to the surface.
Collective motion of two-electron atom in hyperspherical adiabatic approximation
Mohamed, A. S.; Nikitin, S. I.
2015-03-30
This work is devoted to calculate bound states in the two-electron atoms. The separation of variables has carried out in hyper spherical coordinate system (R, ?, ?). Assuming collective motion of the electrons, where the hper angle (???/4) and (???). The separation of the rotational variables leads to system of differential equations with more simple form as compared with non restricted motion. Energy of doubly excited P{sup e} and D{sup 0} states are calculated semi classically by using quantization condition of Bohr -Somerfield. The results compared with previously published data.
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9-1 Section J Attachment J-9 ANNUAL ESSENTIAL STAFFING LEVEL The contractor shall maintain the following essential staffing level physically located at the Hanford site. This does not include additional staff and positions the Contractor may require to complete the statement of work. Position Annual Essential Staffing Level Principal Manager 1 Site Occupational Medical Director (SOMD) 1 Clinic Director 1 Nursing Director 1 Physician 1 Physician Assistant/Nurse Practitioner 5 Psychologist 1
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124 Revision 0 Tank 18/Tank 19 Special Analysis for the Performance Assessment for the F-Tank Farm at the Savannah River Site February 2012 Prepared by: Savannah River Remediation LLC Closure and Waste Disposal Authority Aiken, SC 29808 Prepared for U.S. Department of Energy Under Contract No. DE-AC09-09SR22505 Tank 18/Tank 19 Special Analysis for the SRR-CWDA-2010-00124 Performance Assessment for the Revision 0 F-Tank Farm at the Savannah River Site February 2012 Page 2 of 132 TABLE OF CONTENTS
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SRR-CWDA-2014-00106 Revision 1 Tank 16 Special Analysis for the Performance Assessment for the H-Tank Farm at the Savannah River Site February 2015 Prepared by: Savannah River Remediation LLC Waste Disposal Authority Aiken, SC 29808 Prepared for U.S. Department of Energy Under Contract No. DE-AC09-09SR22505 Tank 16 Special Analysis for the SRR-CWDA-2014-00106 Performance Assessment for the Revision 1 H-Tank Farm at the Savannah River Site February 2015 2 of 166 REVISION SUMMARY REV. #
Xaplanteris, C. L.; Xaplanteris, L. C.; Leousis, D. P.
2014-03-15
Many physical phenomena that concern the research these days are basically complicated because of being multi-parametric. Thus, their study and understanding meets with big if not unsolved obstacles. Such complicated and multi-parametric is the plasmatic state as well, where the plasma and the physical quantities that appear along with it have chaotic behavior. Many of those physical quantities change exponentially and at most times they are stabilized by presenting wavy behavior. Mostly in the transitive state rather than the steady state, the exponentially changing quantities (Growth, Damping etc) depend on each other in most cases. Thus, it is difficult to distinguish the cause from the result. The present paper attempts to help this difficult study and understanding by proposing mathematical exponential models that could relate with the study and understanding of the plasmatic wavy instability behavior. Such instabilities are already detected, understood and presented in previous publications of our laboratory. In other words, our new contribution is the study of the already known plasmatic quantities by using mathematical models (modeling and simulation). These methods are both useful and applicable in the chaotic theory. In addition, our ambition is to also conduct a list of models useful for the study of chaotic problems, such as those that appear into the plasma, starting with this paper's examples.
Ab initio study of Fe{sub 2}MnZ (Al, Si, Ge) Heusler alloy using GGA approximation
Jain, Vivek Kumar Jain, Vishal Lakshmi, N. Venugopalan, K.
2014-04-24
Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe{sub 2}MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μ{sub B}. Spin polarization calculations evidence 100% spin polarization for Fe{sub 2}MnSi. Fe{sub 2}MnAl and Fe{sub 2}MnGe show metallic behavior with 93%, 98% spin polarization.
Sereda, Yuriy V.; Ortoleva, Peter J.
2014-04-07
A closed kinetic equation for the single-particle density of a viscous simple liquid is derived using a variational method for the Liouville equation and a coarse-grained mean-field (CGMF) ansatz. The CGMF ansatz is based on the notion that during the characteristic time of deformation a given particle interacts with many others so that it experiences an average interaction. A trial function for the N-particle probability density is constructed using a multiscale perturbation method and the CGMF ansatz is applied to it. The multiscale perturbation scheme is based on the ratio of the average nearest-neighbor atom distance to the total size of the assembly. A constraint on the initial condition is discovered which guarantees that the kinetic equation is mass-conserving and closed in the single-particle density. The kinetic equation has much of the character of the Vlasov equation except that true viscous, and not Landau, damping is accounted for. The theory captures condensation kinetics and takes much of the character of the Gross-Pitaevskii equation in the weak-gradient short-range force limit.
Gratt, L.B.; Levin, L.
1998-12-31
The measures for evaluating risk under the Clean Air Act Amendments of 1990 are yet to be defined. Many risk assessments have used only chronic risk measures (lifetime cancer probability and chronic hazard index) based on yearly averages of long-term dispersion of substances into ambient air. In California, many facilities prepared risk assessments using hourly meteorological data and short-term emission rates, allowing the calculation of an acute hazard index. These risk assessments are more costly and labor-intensive than those using the annualized meteorological data. A simple scheme to estimate the acute hazard index from the chronic index is proposed. This scheme is evaluated for four electric power stations in Southern California. The simple scheme was found lacking due to the inability to reasonably estimate both the hourly emission rates from annual averages and hourly concentrations from annual concentrations. The need for the acute risk measure for stack emission can be questioned based on the more detailed risk assessments performed in California.
Lehtikangas, O.; Tarvainen, T.; Kim, A.D.; Arridge, S.R.
2015-02-01
The radiative transport equation can be used as a light transport model in a medium with scattering particles, such as biological tissues. In the radiative transport equation, the refractive index is assumed to be constant within the medium. However, in biomedical media, changes in the refractive index can occur between different tissue types. In this work, light propagation in a medium with piece-wise constant refractive index is considered. Light propagation in each sub-domain with a constant refractive index is modeled using the radiative transport equation and the equations are coupled using boundary conditions describing Fresnel reflection and refraction phenomena on the interfaces between the sub-domains. The resulting coupled system of radiative transport equations is numerically solved using a finite element method. The approach is tested with simulations. The results show that this coupled system describes light propagation accurately through comparison with the Monte Carlo method. It is also shown that neglecting the internal changes of the refractive index can lead to erroneous boundary measurements of scattered light.
Fiscal Year 1985 Congressional budget request. Volume 1. Atomic energy defense activities
Not Available
1984-02-01
Contents include: summaries of estimates by appropriation, savings from management initiatives, staffing by subcommittee, staffing appropriation; appropriation language; amounts available for obligation; estimates by major category; program overview; weapons activities; verification and control technology; materials production; defense waste and by-products management; nuclear safeguards and security; security investigations; and naval reactors development.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Tezaur, I. K.; Perego, M.; Salinger, A. G.; Tuminaro, R. S.; Price, S. F.
2015-04-27
This paper describes a new parallel, scalable and robust finite element based solver for the first-order Stokes momentum balance equations for ice flow. The solver, known as Albany/FELIX, is constructed using the component-based approach to building application codes, in which mature, modular libraries developed as a part of the Trilinos project are combined using abstract interfaces and template-based generic programming, resulting in a final code with access to dozens of algorithmic and advanced analysis capabilities. Following an overview of the relevant partial differential equations and boundary conditions, the numerical methods chosen to discretize the ice flow equations are described, alongmore » with their implementation. The results of several verification studies of the model accuracy are presented using (1) new test cases for simplified two-dimensional (2-D) versions of the governing equations derived using the method of manufactured solutions, and (2) canonical ice sheet modeling benchmarks. Model accuracy and convergence with respect to mesh resolution are then studied on problems involving a realistic Greenland ice sheet geometry discretized using hexahedral and tetrahedral meshes. Also explored as a part of this study is the effect of vertical mesh resolution on the solution accuracy and solver performance. The robustness and scalability of our solver on these problems is demonstrated. Lastly, we show that good scalability can be achieved by preconditioning the iterative linear solver using a new algebraic multilevel preconditioner, constructed based on the idea of semi-coarsening.« less
Daniels, Jeffrey I.; Chapman, Jenny; Pohlmann, Karl F.
2015-03-01
As part of the Environmental Management Program at the Nevada National Security Site (NNSS), the Underground Test Area (UGTA) Activity investigates the potential impacts of radionuclides that were introduced into groundwater from the underground nuclear tests conducted near or below the NNSS water table between 1951 and 1992. Groundwater models are being used to simulate contaminant transport and forecast contaminant boundaries that encompass areas where the groundwater has a five percent or greater probability of containing contaminants above the Safe Drinking Water Act Maximum Contaminant Levels (SDWA MCLs) at any time during the next 1,000 years. Transport modeling conducted for the Frenchman Flat Corrective Action Unit (CAU) at the NNSS identified the beta/photon-emitting radionuclides tritium (3H), carbon-14 (14C), chlorine-36 (36Cl), technetium-99 (99Tc), and iodine-129 (129I) as having the greatest influence in defining the farthest extent of the modeled CAU contaminant boundary. These same radionuclides are assumed here as the contaminants of concern (COCs) for all underground nuclear tests at the NNSS because models are not yet complete for the other CAUs.Potential public exposure to the COCs will only occur and be of concern if the COCs migrate into the groundwater beneath public or private lands at levels that exceed either individual SDWA MCLs or dose and risk limits. Groundwater flow directions strongly suggest that any contaminant boundary predicted by contaminant fate and transport modeling to overlap public or private lands is more likely to occur to the west and/or southwest of the NNSS and the adjacent Nevada Test and Training Range (NTTR). Well-established, rural communities exist in these directions. Estimates of representative activity concentrations at the applicable SDWA MCL were developed for the five COCs. It is assumed that these COC concentrations may collectively occur at some public or private location in the future, but that situation does not exist today. These representative activity concentrations are evaluated with respect to conforming collectively to a modern annual committed effective dose (CED) and lifetime excess cancer morbidity risk for a hypothetical reasonably maximally exposed individual (RMEI). This approach goes beyond the SDWA MCL focus of the contaminant boundary because individual COC concentrations may comply with the SDWA MCL but not collectively meet the modern health-protection metrics and the SDWA language, especially if future modeling studies or monitoring activities show multiple radionuclides from different SDWA MCL categories to be COCs. For the drinking water exposure pathway alone, the annual committed effective dose (CED) for the RMEI from all five COCs that are collectively at estimated activity concentrations equal to their SDWA MCL is well below the U.S. Department of Energy health-protective CED limit of 100 millirem (mrem)/yr. This is consistent using both the NNSS unclassified, 1992 decay-corrected radionuclide atom inventory and the atom inventory based on radionuclides measured in groundwater obtained from the ALMENDRO cavity in 2009 to calculate the SDWA MCL activity concentrations in groundwater. The RMEI’s total lifetime excess cancer risk from the drinking water exposure pathway for both atom inventories is within the range of 1 × 10^{-4} to ≤ 1 × 10^{-6}, which is considered health protective according to modern SDWA MCL regulatory language. The biosphere exposure pathways are drinking water, garden produce, animal products, inadvertent soil ingestion, and indoor and outdoor air inhalation. The exposure parameters for communities west and southwest of the NNSS were developed when the Yucca Mountain high-level, nuclear-waste disposal facility was under consideration. For all biosphere exposure pathways, calculations of the annual CED and lifetime excess cancer morbidity risk for the RMEI revealed that: 1) The annual CED is well within health-protective guidance (<< 100 mrem_{CED}/yr) for the COC activity concentrations at the SDWA MCL, regardless of the atom inventory used. 2) The calculated 70-year lifetime excess cancer morbidity risk (6 x 10^{-5}) is within the health-protective range when the five COC activity concentrations are derived using the NNSS 1992 atom inventory, but it is at the upper limit of the acceptable range (1 x 10^{-4}) using the ALMENDRO 2009 atom inventory. 3) Tritium (3H) is the principal COC for producing annual dose and lifetime excess cancer risk, regardless of the atom inventory used. 4) Overall, the drinking water ingestion pathway is the dominant exposure pathway contributing to the total annual CED and lifetime excess cancer risk, followed by eating locally grown produce and animal products. 5) When tritium completely decays (after about 100 years), the RMEI’s lifetime risk will fall well within the health-protective range (i.e., 1 × 10-4 to ≤ 1 × 10^{-6}) and 36Cl will then become the most important contributor to the RMEI’s total annual CED and lifetime excess cancer morbidity risk from eating local produce and animal products. In the event that radionuclide concentrations begin to approach SDWA MCLs, a reasonable risk-management strategy for keeping lifetime risk more in compliance with regulatory guidance would be to use local sources of groundwater that are below SDWA MCLs or to limit the consumption of local produce and animal products that have ingested COC-contaminated groundwater. The viability of the latter strategy increases where the annual CED due to 36Cl approaches that of 3H.The dose and risk values calculated here for an RMEI are specific to the assumption that the five COCs occur in groundwater beneath public or private lands at concentrations that are collectively at the SDWA MCL. Currently, these COCs are essentially absent from groundwater beneath public or private lands beyond the boundaries of the NNSS and NTTR other than at very low, naturally occurring concentrations. The analyses presented here can be readily applied to determine dose and risk for COC concentrations actually measured in future monitoring samples.
Yamada, Atsushi; Kojima, Hidekazu; Okazaki, Susumu
2014-08-28
In order to investigate proton transfer reaction in solution, mixed quantum-classical molecular dynamics calculations have been carried out based on our previously proposed quantum equation of motion for the reacting system [A. Yamada and S. Okazaki, J. Chem. Phys. 128, 044507 (2008)]. Surface hopping method was applied to describe forces acting on the solvent classical degrees of freedom. In a series of our studies, quantum and solvent effects on the reaction dynamics in solutions have been analysed in detail. Here, we report our mixed quantum-classical molecular dynamics calculations for intramolecular proton transfer of malonaldehyde in water. Thermally activated proton transfer process, i.e., vibrational excitation in the reactant state followed by transition to the product state and vibrational relaxation in the product state, as well as tunneling reaction can be described by solving the equation of motion. Zero point energy is, of course, included, too. The quantum simulation in water has been compared with the fully classical one and the wave packet calculation in vacuum. The calculated quantum reaction rate in water was 0.70 ps{sup ?1}, which is about 2.5 times faster than that in vacuum, 0.27 ps{sup ?1}. This indicates that the solvent water accelerates the reaction. Further, the quantum calculation resulted in the reaction rate about 2 times faster than the fully classical calculation, which indicates that quantum effect enhances the reaction rate, too. Contribution from three reaction mechanisms, i.e., tunneling, thermal activation, and barrier vanishing reactions, is 33:46:21 in the mixed quantum-classical calculations. This clearly shows that the tunneling effect is important in the reaction.
DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)
Tezaur, Irina K.; Tuminaro, Raymond S.; Perego, Mauro; Salinger, Andrew G.; Price, Stephen F.
2015-01-01
We examine the scalability of the recently developed Albany/FELIX finite-element based code for the first-order Stokes momentum balance equations for ice flow. We focus our analysis on the performance of two possible preconditioners for the iterative solution of the sparse linear systems that arise from the discretization of the governing equations: (1) a preconditioner based on the incomplete LU (ILU) factorization, and (2) a recently-developed algebraic multigrid (AMG) preconditioner, constructed using the idea of semi-coarsening. A strong scalability study on a realistic, high resolution Greenland ice sheet problem reveals that, for a given number of processor cores, the AMG preconditionermore » results in faster linear solve times but the ILU preconditioner exhibits better scalability. A weak scalability study is performed on a realistic, moderate resolution Antarctic ice sheet problem, a substantial fraction of which contains floating ice shelves, making it fundamentally different from the Greenland ice sheet problem. Here, we show that as the problem size increases, the performance of the ILU preconditioner deteriorates whereas the AMG preconditioner maintains scalability. This is because the linear systems are extremely ill-conditioned in the presence of floating ice shelves, and the ill-conditioning has a greater negative effect on the ILU preconditioner than on the AMG preconditioner.« less
Tezaur, I. K.; Perego, M.; Salinger, A. G.; Tuminaro, R. S.; Price, S. F.
2015-04-27
This paper describes a new parallel, scalable and robust finite element based solver for the first-order Stokes momentum balance equations for ice flow. The solver, known as Albany/FELIX, is constructed using the component-based approach to building application codes, in which mature, modular libraries developed as a part of the Trilinos project are combined using abstract interfaces and template-based generic programming, resulting in a final code with access to dozens of algorithmic and advanced analysis capabilities. Following an overview of the relevant partial differential equations and boundary conditions, the numerical methods chosen to discretize the ice flow equations are described, along with their implementation. The results of several verification studies of the model accuracy are presented using (1) new test cases for simplified two-dimensional (2-D) versions of the governing equations derived using the method of manufactured solutions, and (2) canonical ice sheet modeling benchmarks. Model accuracy and convergence with respect to mesh resolution are then studied on problems involving a realistic Greenland ice sheet geometry discretized using hexahedral and tetrahedral meshes. Also explored as a part of this study is the effect of vertical mesh resolution on the solution accuracy and solver performance. The robustness and scalability of our solver on these problems is demonstrated. Lastly, we show that good scalability can be achieved by preconditioning the iterative linear solver using a new algebraic multilevel preconditioner, constructed based on the idea of semi-coarsening.
Broader source: Energy.gov [DOE]
This EA evaluates the potential environmental impacts associated with a DOE proposal to provide federal funding to Hydro Green Energy (HGE) to fabricate and install one (1) interchangeable Modular Bulb Turbine (MBT) which would be inserted in a Large Frame Module (LFM) and supporting civil infrastructure as part of a larger project that would include the design and installation of seven MBTs to create a 5.2 megawatt, low head hydropower system that would be integrated into the existing Braddock Locks and Dam.
Vazquez-Mayagoitia, Alvaro; Sherrill, David; Apra, Edoardo; Sumpter, Bobby G
2010-01-01
A recently proposed double-hybrid functional called XYG3 and a semilocal GGA functional (B97-D) with a semiempirical correction for van der Waals interactions have been applied to study the potential energy curves along the dissociation coordinates of weakly bound pairs of molecules governed by London dispersion and induced dipole forces. Molecules treated in this work were the parallel sandwich, T-shaped, and parallel-displaced benzene dimer, (C6H6)2; hydrogen sulfide and benzene, H2S C6H6; methane and benzene, CH4 C6H6; the methane dimer, (CH4)2; and the pyridine dimer, (C5H5N)2. We compared the potential energy curves of these functionals with previously published benchmarks at the coupled cluster singles, doubles, and perturbative triplets [CCSD(T)] complete-basis-set limit. Both functionals, XYG3 and B97-D, exhibited very good performance, reproducing accurate energies for equilibrium distances and a smooth behavior along the dissociation coordinate. Overall, we found an agreement within a few tenths of one kcal mol-1 with the CCSD(T) results across the potential energy curves.
Broader source: Energy.gov [DOE]
Initial career appointments to the SES must be made following competitive merit staffing requirements. Agencies must announce SES vacancies that will be filled by initial career appointment to at...
FTCP Site Specific Information - Nuclear Energy Oak Ridge Site Office |
Department of Energy Nuclear Energy Oak Ridge Site Office FTCP Site Specific Information - Nuclear Energy Oak Ridge Site Office Annual Workforce Analysis and Staffing Plan Report Calendar Year 2013 Calendar Year 2012
FTCP Site Specific Information - Oak Ridge Office of Environmental
Management | Department of Energy Office of Environmental Management FTCP Site Specific Information - Oak Ridge Office of Environmental Management Annual Workforce Analysis and Staffing Plan Report Calendar Year 2015 Calendar Year 2013 Calendar Year 2012
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Forms Forms Engraving To request engraving services submit form DOE F 4250.2 (pdf), Requisition for Supplies Equipment, or Service. Go to Engraving information web page. Staffed Copy Center - Graphics - Photography - Printing To request various services and products from the Printing, Graphics and Photography offices, submit form HQ F 1420.7 (pdf), Request for Print Media Services. Go to Staffed Copy Center web page. Go to Graphics web page. Go to Photography web page. Go to Printing web page.
Portsmouth SSAB Subcommittees - April | Department of Energy
Department of Energy 6 SES Competitive Staffing Procedures Policy Guidance Memorandum #36 SES Competitive Staffing Procedures Policy Guidance Memorandum #36 provides overarching policy guidance and implementing procedures for the Senior Executive Service (SES) competitive recruitment process to ensure consistency, transparency and compliance with law and regulations throughout DOE, while allowing organizations the flexibility to tailor the SES competitive recruitment process to best meet
Office of Executive Resources Office of the Chief Human Capital Officer
Office of Executive Resources Office of the Chief Human Capital Officer U.S. Department of Energy Senior Executive Service (SES) Competitive Staffing Policy and Operating Procedures 2 The Senior Executive Service (SES) Competitive Staffing Policy and Operating Procedures implements the provisions of 5 CFR 317, Employment in the SES. This document applies after the Senior Management Review Board (SMRB) approves the establishment and/or recruitment of an SES position. SES positions may be filled
Office of the Chief Human Capital Officer | Department of Energy
Broader source: All U.S. Department of Energy (DOE) Office Webpages
Human Capital Officer Search Search form Search Office of the Chief Human Capital Officer Office of the Chief Human Capital Officer Services Services Home Benefits Benefits Home DOE Workers' Compensation Program Insurance Military/Reservist Retirement Telework Thrift Savings Plan (TSP) Wellness Programs Executive Resources Learning and Workforce Development New Employee Orientation Policy and Guidance Policy and Guidance Home Compensation Employment/Staffing Employment/Staffing Home Recruitment
Development of Autonomous Magnetometer Rotorcraft For Wide Area Assessment
Mark D. McKay; Matthew O. Anderson
2011-08-01
Large areas across the United States and internationally are potentially contaminated with unexploded ordinance (UXO), with some ranges encompassing tens to hundreds of thousands of acres. Technologies are needed which will allow for cost effective wide area scanning with (1) near 100% coverage and (2) near 100% detection of subsurface ordnance or features indicative of subsurface ordnance. The current approach to wide area assessment is a multi-level one, in which medium - altitude fixed wing optical imaging is used for an initial site assessment. This assessment is followed with low altitude manned helicopter based magnetometry. Subsequent to this wide area assessment targeted surface investigations are performed using either towed geophysical sensor arrays or man portable sensors. In order to be an effective tool for small UXO detection, the sensing altitude for magnetic site investigations needs to be on the order of 1 to 3 meters. These altitude requirements mean that manned helicopter surveys will generally only be feasible in large, open and relatively flat terrains. While such surveys are effective in mapping large areas relatively fast there are substantial mobilization/demobilization, staffing and equipment costs associated with these surveys, resulting in costs of approximately $100-$150/acre. In addition, due to the low altitude there are substantial risks to pilots and equipment. Surface towed arrays provide highresolution maps but have other limitations, e.g. in their ability to navigate rough terrain effectively. Thus there is a need for other systems, which can be used for effective data collection. An Unmanned Aerial Vehicle (UAV) magnetometer platform is an obvious alternative. The motivation behind such a system is that it reduces risk to operators, is lower in initial and Operational and Maintenance (O&M) costs (and can thus potentially be applied to smaller sites) and has the potential of being more effective in terms of detection and possibly characterization (through the use of dynamic acquisition, i.e. survey mission in-flight reprioritization).
SU-E-T-27: A Tool for Routine Quality Assurance of Radiotherapy Dose Calculation Software
Popple, R; Cardan, R; Duan, J; Wu, X; Shen, S; Brezovich, I
2014-06-01
Purpose: Dose calculation software is thoroughly evaluated when it is commissioned; however, evaluation of periodic software updates is typically limited in scope due to staffing constraints and the need to quickly return the treatment planning system to clinical service. We developed a tool for quickly and comprehensively testing and documenting dose calculation software against measured data. Methods: A tool was developed using MatLab (The MathWorks, Natick, MA) for evaluation of dose calculation algorithms against measured data. Inputs to the tool are measured data, reference DICOM RT PLAN files describing the measurements, and dose calculations in DICOM format. The tool consists of a collection of extensible modules that can perform analysis of point dose, depth dose curves, and profiles using dose difference, distance-to-agreement, and the gamma-index. Each module generates a report subsection that is incorporated into a master template, which is converted to final form in portable document format (PDF). Results: After each change to the treatment planning system, a report can be generated in approximately 90 minutes. The tool has been in use for more than 5 years, spanning 5 versions of the eMC and 4 versions of the AAA. We have detected changes to the algorithms that affected clinical practice once during this period. Conclusion: Our tool provides an efficient method for quality assurance of dose calculation software, providing a complete set of tests for an update. Future work includes the addition of plan level tests, allowing incorporation of, for example, the TG-119 test suite for IMRT, and integration with the treatment planning system via an application programming interface. Integration with the planning system will permit fully-automated testing and reporting at scheduled intervals.
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Physics from MiniBooNE Geoffrey Mills Los Alamos National Laboratory P-25 Subatomic Physics Group Jan 29, 2009 Searching for Physics Beyond the Standard Neutrino Model 1. Introduction & motivation 2. The MiniBooNE experiment 3. Review of MB oscillation results 4. Anti-neutrino data sheds new light 5. Conclusions and Future Prospects Outline: Motivation: astrophysics and cosmology "Sterile" Neutrinos *Cosmology: o Dark matter o Baryogenisis o Dark energy *Core collapse supernova *
Kojima, H.; Yamada, A.; Okazaki, S.
2015-05-07
The intramolecular proton transfer reaction of malonaldehyde in neon solvent has been investigated by mixed quantumclassical molecular dynamics (QCMD) calculations and fully classical molecular dynamics (FCMD) calculations. Comparing these calculated results with those for malonaldehyde in water reported in Part I [A. Yamada, H. Kojima, and S. Okazaki, J. Chem. Phys. 141, 084509 (2014)], the solvent dependence of the reaction rate, the reaction mechanism involved, and the quantum effect therein have been investigated. With FCMD, the reaction rate in weakly interacting neon is lower than that in strongly interacting water. However, with QCMD, the order of the reaction rates is reversed. To investigate the mechanisms in detail, the reactions were categorized into three mechanisms: tunneling, thermal activation, and barrier vanishing. Then, the quantum and solvent effects were analyzed from the viewpoint of the reaction mechanism focusing on the shape of potential energy curve and its fluctuations. The higher reaction rate that was found for neon in QCMD compared with that found for water solvent arises from the tunneling reactions because of the nearly symmetric double-well shape of the potential curve in neon. The thermal activation and barrier vanishing reactions were also accelerated by the zero-point energy. The number of reactions based on these two mechanisms in water was greater than that in neon in both QCMD and FCMD because these reactions are dominated by the strength of solutesolvent interactions.
Review of maintenance personnel practices at nuclear power plants
Chockie, A.D.; Badalamente, R.V.; Hostick, C.J.; Vickroy, S.C.; Bryant, J.L.; Imhoff, C.H.
1984-05-01
As part of the Nuclear Regulatory Commission (NRC) sponsored Maintenance Qualifications and Staffing Project, the Pacific Northwest Laboratory (PNL) has conducted a preliminary assessment of nuclear power plant (NPP) maintenance practices. As requested by the NRC, the following areas within the maintenance function were examined: personnel qualifications, maintenance training, overtime, shiftwork and staffing levels. The purpose of the assessment was to identify the primary safety-related problems that required further analysis before specific recommendations can be made on the regulations affecting NPP maintenance operations.
FTCP Quarterly Report on Federal Technical Capability, November 20, 2012
Broader source: Energy.gov [DOE]
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, February 20, 2013
Broader source: Energy.gov [DOE]
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, May 30, 2012
Broader source: Energy.gov [DOE]
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
Lawrence Co. Scioto Co. Greenup Co. Jack
U.S. Energy Information Administration (EIA) Indexed Site
NE BREEDEN MAR E CREEK SCHOOL FAR LEY C HUR CH W LON G R UN LICKBURG RPD-GALLIA-1 MIMA LEF ... HINDMAN E STAF FORD SPEIGHT E ST EPHENS JUM PIN G BR AN CH GRASSY CREEK RICH POND WH ITMER ...
JM to Revise DOE O 320.1, Acquiring and Positioning Human Resources--Withdrawn
Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]
2014-07-17
Withdrawn 3-25-15. The revision will update the order to transfer the requirements of Chapter V, Merit Promotion and incorporate any other policies relating to staffing and internal placement that were absent in the previous DOE 320.1 Order into the proposed DOE Order 335.1 Merit Promotion Pl an and Internal Placement Order.
Financing Program Design and Implementation Considerations | Department of
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Energy Program Design and Implementation Considerations Financing Program Design and Implementation Considerations Designing and implementing clean energy financing programs takes more than simply identifying applicable financing structures and implementing them. State and local governments should also take into account partners and stakeholders, staffing needs, and enabling legislation that can affect each program's design and implementation. Learn more about the implementation process
Training of nuclear facility personnel: proceedings of the sixth symposium
Not Available
1985-04-01
Separate abstracts are included for each of the papers presented concerning excellence in operator training; achieving excellence through the accreditation process; managing and organizing the training function; operations training methods and processes; the role of simulators in achieving excellence; maintenance and technical training methods and processes; staffing and qualifying the training organization; and measuring training effectiveness.
FTCP Quarterly Report on Federal Technical Capability, June 5, 2013
Office of Energy Efficiency and Renewable Energy (EERE)
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, August 16, 2010
Office of Energy Efficiency and Renewable Energy (EERE)
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, February 24, 2014
Office of Energy Efficiency and Renewable Energy (EERE)
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, November 20, 2013
Office of Energy Efficiency and Renewable Energy (EERE)
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, July 3, 2014
Office of Energy Efficiency and Renewable Energy (EERE)
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, February 23, 2011
Office of Energy Efficiency and Renewable Energy (EERE)
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, September 2, 2014
Office of Energy Efficiency and Renewable Energy (EERE)
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, March 6, 2012
Office of Energy Efficiency and Renewable Energy (EERE)
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, December 15, 2014
Office of Energy Efficiency and Renewable Energy (EERE)
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
FTCP Quarterly Report on Federal Technical Capability, April 3, 2015
Office of Energy Efficiency and Renewable Energy (EERE)
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
Thomas Wheeler | Department of Energy
Thomas Wheeler Thomas Wheeler Phone (202) 586-8481 Room 4F-033 E-mail thomas.wheeler@hq.doe.gov Description Departmental staffing budget; PMA scorecard; hiring metrics Last Name Wheeler First Name THomas Title Director, Workforce Analysis & Planning Division
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Code of Ethics and Standards of Conduct JLab Registration / International Services Training and Performance Office Workplace Harassment and Violence Policy forms HR Forms Employee Relations Performance Appraisals Forms and Rating Standards Employee Assistance Program (EAP) Employee Concerns Website (ECP) Conflict of Interest and Outside Business Activities Online Forms Employee Excellence Recognition Awards Service Awards Notice Supervisor Quarterly Bulletin Matrixed staffing process Matrixed
Department of Energy Corporate Overview - 2012 | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Corporate Overview - 2012 Department of Energy Corporate Overview - 2012 This book provides an overview of the Department of Energy (DOE). The opening sections describe the mission areas, organizational structure and upcoming critical issues of the Department, followed by brief descriptions of DOE's goals and programs. Later sections provide overviews of the Department's budget, staffing, contract management, project management, Congressional jurisdiction, Government Accountability Office (GAO)
FTCP Site Specific Information - Chicago Office | Department of Energy
Chicago Office FTCP Site Specific Information - Chicago Office FTCP Agent Organization Name Phone E-Mail Chicago Office Patrick N. Smith (OR) (Interim FTCP Agent) 865/574-0960 smithpn@oro.doe.gov Annual Workforce Analysis and Staffing Plan Reports Calendar Year
FTCP Site Specific Information - Oak Ridge Office | Department of Energy
Office FTCP Site Specific Information - Oak Ridge Office FTCP Agent Organization Name Phone E-Mail Oak Ridge Patrick Smith 865/574-0960 smithpn@oro.doe.gov Annual Workforce Analysis and Staffing Plan Reports Calendar Year 2013 Calendar Year 2012 Calendar Year 2011 Calendar Year 2010 TQP Self-Assessment ORO TQP Self-Assessment, March 2014
HQ Operations Division (HC-32) | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Operations Division (HC-32) HQ Operations Division (HC-32) Functions Deliver employment operational and advisory services, including position management, recruitment, staffing and classification, reduction in force in Headquarters; Provide operational and advisory support for competitive sourcing initiatives and impacted serviced population; Provide information to HQ employee population on employee benefit programs (retirement; health, dental, vision, long-term care, and life insurance; thrift
Site support program plan for ICF Kaiser Hanford Company, Revision 1
1995-10-01
This document is the general administrative plan implemented by the Hanford Site contractor, ICF Kaiser Hanford Company. It describes the mission, administrative structure, projected staffing, to be provided by the contractor. The report breaks out the work responsibilities within the different units of the company, a baseline schedule for the different groups, and a cost summary for the different operating units.
Nuclear Incident Team | National Nuclear Security Administration
National Nuclear Security Administration (NNSA)
Incident Team NNSA houses the Nuclear Incident Team (NIT), which is responsible for deploying assets at the request of coordinating agencies in response to a nuclear or radiological incident. The NIT's mission is to coordinate NNSA assets for deployment, continually monitor deployment activities, and provide situational awareness of activities to NNSA management. The NIT is staffed and fully operational within two hours of notification
Defining and Establishing the Role of a Sustainability Manager
Broader source: Energy.gov [DOE]
This webinar covered guidance to help EECBG and SEP recipients establish an energy resource or sustainability program by outlining a range of options for staffing and funding a program, understanding how an energy manager's role can work with other departments and partners, and long-term program sustainability.
FTCP Quarterly Report on Federal Technical Capability, August 8, 2012
Broader source: Energy.gov [DOE]
This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls.
Feasibility Study for an Autonomous UAV -Magnetometer System -- Final Report on SERDP SEED 1509:2206
Roelof Versteeg; Mark McKay; Matt Anderson; Ross Johnson; Bob Selfridge; Jay Bennett
2007-09-01
Large areas across the United States are potentially contaminated with UXO, with some ranges encompassing tens to hundreds of thousands of acres. Technologies are needed which will allow for cost effective wide area scanning with 1) near 100 % coverage and 2) near 100 % detection of subsurface ordnance or features indicative of subsurface ordnance. The current approach to wide area scanning is a multi-level one, in which medium altitude fixed wing optical imaging is used for an initial site assessment. This assessment is followed with low altitude manned helicopter based magnetometry followed by surface investigations using either towed geophysical sensor arrays or man portable sensors. In order to be effective for small UXO detection, the sensing altitude for magnetic site investigations needs to be on the order of 1 3 meters. These altitude requirements means that manned helicopter surveys will generally only be feasible in large, open and relatively flat terrains. While such surveys are effective in mapping large areas relatively fast there are substantial mobilization/demobilization, staffing and equipment costs associated with these surveys (resulting in costs of approximately $100-$150/acre). Surface towed arrays provide high resolution maps but have other limitations, e.g. in their ability to navigate rough terrain effectively. Thus, other systems are needed allowing for effective data collection. An UAV (Unmanned Aerial Vehicle) magnetometer platform is an obvious alternative. The motivation behind such a system is that it would be safer for the operators, cheaper in initial and O&M costs, and more effective in terms of site characterization. However, while UAV data acquisition from fixed wing platforms for large (> 200 feet) stand off distances is relatively straight forward, a host of challenges exist for low stand-off distance (~ 6 feet) UAV geophysical data acquisition. The objective of SERDP SEED 1509:2006 was to identify the primary challenges associated with a low stand off distance autonomous UAV magnetometer platform and to investigate whether these challenges can be resolved successfully such that a successful UAV magnetometer platform can be constructed. The primary challenges which were identified and investigated include: 1. The feasibility of assembling a payload package which integrates magnetometers, accurate positioning systems (DGPS, height above ground measurement), obstacle avoidance systems, power infrastructure, communications and data storage as well as auxiliary flight controls 2. The availability of commercial UAV platforms with autonomous flight capability which can accommodate this payload package 3. The feasibility of integrating obstacle avoidance controls in UAV platform control 4. The feasibility of collecting high quality magnetic data in the vicinity of an UAV.
Services Initiatives | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Services Initiatives Services Initiatives The Transportation Team Uses Alternative Fueled Vehicles in HQ Fleet 81% of HQ Fleet is alternative fueled (FY 2014). HQ utilizes biodiesel (B20) fueled shuttle buses, a domestic renewable fuel derived from natural oils like soybean oil. Recycled Paper for Copiers and Printers DOE Headquarters purchases a combination of 30% and 100% post-consumer recycled content paper for use in its staffed copy centers, walk-up copiers, and dedicated office printers
Azure, G.P.
1992-11-01
The Native American Employment Program (NAEP) is an aggressive, innovative approach to employment outreach and training. It is designed to address the diverse needs of Native American communities through recognition of their unique culture. Through training and employment, Native Americans have first-hand involvement in the important task of environmental restoration at the Hanford Site. Participants have the opportunity to embark on careers that offer tremendous pathing potential while fulfilling vital Hanford staffing needs.
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Experimental Studies of Optics schemes at CEBAF for Suppression of Coherent Synchrotron Radiation (CSR) Principal Investigator: Yves Roblin Project Status During the first quarter of the fiscal year, we were resource limited due to planned critical- path work on Project E and MEIC. After reworking the AWP and adjusting the staffing profile, we started executing the project mid-February 2015 and are back on track to complete this LDRD. The goal of this LDRD is to conduct all the necessary studies
Supplemental information source document : socioeconomics.
Sedore, Lora Jeannette
2010-08-01
This document provides information on expenditures and staffing levels at Sandia National Laboratories/New Mexico (SNL/NM). This report is based on the best available information obtained from Sandia Corporation for Fiscal Years 2008 and 2009, and was prepared in support of future analyses, including those that may be performed as part of the SNL/NM Site-Wide Environmental Impact Statement.
Noyes, Cecilia; Kuchenbecker, Lyle; Perry, Patty
1998-10-28
This agreement provided funding for operation and administration of the Grande Ronde Model Watershed Program including staffing of an Executive Director, Program Planner, and clerical personnel. The contract covers maintaining program services, project planning, subwatershed plans (CRMP's), public involvement and education, interagency coordination/clearing house, monitoring, and technical support activities that have taken place in the Grande Ronde basin. Cost-share has been received from the Bureau of Reclamation and the Governor's Watershed Enhancement Board.
Visiting Speaker Program - October 30, 2008. | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
30, 2008. Visiting Speaker Program - October 30, 2008. Dr. Susan Butts is Senior Director of External Science and Technology Programs at The Dow Chemical Company. In this capacity she is responsible for Dow's contract research activities with US and European government agencies and sponsored research programs at over 100 universities, institutes, and national laboratories worldwide. She has also held the role of Global Staffing Leader in which she managed recruiting and hiring activities for the
WAI Contract & Fee Determination | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
WAI Contract & Fee Determination WAI Contract & Fee Determination The attached document is WAI's conformed contract with the Oak Ridge Office of Environmental Managment. It is contract DE-EM0000323, and it includes all sections through MOD80. PDF icon WAI Contract (DE-EM0000323) PDF icon Fee determination letter (Oct. 2014) More Documents & Publications Technical Qualification Program Self-Assessment Report - Nevada Field Office - 2014 2015 Annual Workforce Analysis and Staffing Plan
FOHO and GOHO FOHO and GOHO Headquarters Fitness Facilities The Forrestal Occupational Health Organization (FOHO) and the Germantown Occupational Health Organization (GOHO) are full-service exercise and fitness facilities open for membership to all Headquarters DOE employees and contractors. The centers are membership-owned, and operated through the Boards of Directors. The facilities are staffed with full-time fitness professionals educated and experienced in a wide variety of health and
FOHO and GOHO | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
FOHO and GOHO FOHO and GOHO Headquarters Fitness Facilities The Forrestal Occupational Health Organization (FOHO) and the Germantown Occupational Health Organization (GOHO) are full-service exercise and fitness facilities open for membership to all Headquarters DOE employees and contractors. The centers are membership-owned, and operated through the Boards of Directors. The facilities are staffed with full-time fitness professionals educated and experienced in a wide variety of health and
FTCP Quarterly Report on Federal Technical Capability, March 2, 2016 |
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Department of Energy Quarterly Report on Federal Technical Capability, March 2, 2016 FTCP Quarterly Report on Federal Technical Capability, March 2, 2016 This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls. PDF icon Quarterly Report on Federal
FTCP Site Specific Information | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Site Specific Information FTCP Site Specific Information Site Specific Information (including staffing analyses, TQP Accreditation Reports and TQP Self-Assessments) EM Sites Carlsbad Field Office EM Consolidated Business Center Oak Ridge Office of EM Office of River Protection Portsmouth Paducah Project Office Richland Operations Office Savannah River Operations Office West Valley EM HQ NNSA Sites Kansas City Field Office Livermore Field Office Los Alamos Field Office Nevada Field Office NNSA
Loretta Collier | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Loretta Collier About Us Loretta Collier - Director, Office of Policy, Accountability, and Technology Loretta Collier Ms. Loretta Collier has been with the Department of Energy's Office of the Chief Human Capital Officer for over 11 years, and has over 21 years of experience in Federal Human Capital Management. She has extensive experience managing Federal human resources operations in the areas of staffing, classification, pay and compensation, human resources information systems, and employee
Audit Report: OAS-L-10-05 | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
5 Audit Report: OAS-L-10-05 June 8, 2010 The National Nuclear Security Administration's Site Office Training and Staffing The National Nuclear Security Administration's (NNSA), a semi-autonomous agency within the Department of Energy (Department), mission includes maintaining and enhancing the safety, reliability, and performance of the nuclear weapons stockpile. To meet its mission, NNSA uses Federally-run site offices to oversee the management and operating contractors that operate each of
2013 Annual Planning Summary for the Nevada Site Office | Department of
Energy Nevada Site Office 2013 Annual Planning Summary for the Nevada Site Office The ongoing and projected Environmental Assessments and Environmental Impact Statements for 2013 and 2014 within the . PDF icon NNSA_NSO_NEPA-APS-2013.pdf More Documents & Publications 2014 Annual Planning Summary for the Nevada Field Office 2012 Annual Workforce Analysis and Staffing Plan Report - Nevada Site Office 2010
Annex A Metrics for the Smart Grid System Report
Annelise Plooster About Us Annelise Plooster - Special Assistant, Office of the Deputy Secretary Annelise Plooster is a special assistant in the Office of the Deputy Secretary. She has staffed the Deputy Secretary on official visits to over a dozen countries. Prior to this role, Annelise worked at the American Wind Energy Association in Washington, DC. In 2009, she served a year with AmeriCorps VISTA* working with at-risk youth in the criminal juvenile justice system. Annelise is a native Iowan,
Jefferson Lab Leadership Council
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Director of Business Services, Mark Waite Rhonda M. Barbosa Human Resources Manager As Human Resource Manager, Rhonda Barbosa is responsible leading the Lab in all aspects of Human Resources functions, which includes organizational development, benefits and compensation, staffing and employment, employee relations and staff management. She joined Jefferson Lab in 2007after having served as vice president for human resources at Virginia Air Distributors in Richmond, VA, where she was responsible
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
U.S. Department of Energy, 2012 Section One, page 1 SECTION ONE INTRODUCTION TO THE DEPARTMENT OF ENERGY EXECUTIVE SUMMARY Welcome to the Department of Energy. This book provides an overview of the Department of Energy (DOE). The opening sections describe the mission areas, organizational structure and upcoming critical issues of the Department, followed by brief descriptions of DOE's goals and programs. Later sections provide overviews of the Department's budget, staffing, contract management,
TBH-0089 - In the Matter of Himadri K. Das | Department of Energy
89 - In the Matter of Himadri K. Das TBH-0089 - In the Matter of Himadri K. Das This Decision concerns a Complaint filed by Himadri K. Das against RCS Corporation, his former employer, and Parsons Infrastructure and Technology Group, Inc. (Parsons), under the Department of Energy=s (DOE) Contractor Employee Protection Program regulations found at 10 C.F.R. Part 708. RCS is professional staffing company that identifies and hires personnel for its clients. At all times relevant to this proceeding,
2010 Geothermal Technology Program Peer Review Report
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
2010 Geothermal Technology Program Peer Review Report Prepared by: The Antares Group, Incorporated Staffed and Supported by: Oak Ridge Associated Universities/Oak Ridge Institute for Science and Education (ORAU/ORISE) New West Technologies, Inc. Courtesy Associates May 18-20, 2010 Crystal City Hyatt, Alexandria, VA Cover photos: Calpine's Sonoma Geothermal Plant at The Geysers field in Northern California Table of Contents 1.0 Introduction and
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
of the United States Atomic Energy Commission Volume II 1947/1952 Morale /Meld Richard G. Hewlett / Francis Duncan 1972 U.S. Atomic Energy Commission CONTENTS FOREWORD BY THE CHAIRMAN, HISTORICAL ADVISORY COMMITTEE xi PREFACE xiii 1 THE TERRIBLE RESPONSIBILITY 1 Historical setting; the confirmation hearings, Janu- ary-March 1947. 2 UNCERTAIN MANDATE 15 Initial organization and staffing; initial policy con- siderations in weapons, production, and research; the report to the President, April 3,
SES Training and Development | Department of Energy
Training and Development SES Training and Development The U.S. Office of Personnel Management sponsors an SES Candidate Development Program (CDP) which is designed to develop a pool of qualified candidates and help Federal agencies meet their succession planning goals. The program provides career enhancement and executive skills development for GS-14 and 15 (or equivalent work experience) employees with high potential for the SES. Participants are selected through competitive merit staffing
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Makes Key Appointments Staffing for Distributed Energy and Tech Management Announced For more information contact: Gary Schmitz, 303-275-4050 email: Gary Schmitz Golden, Colo., Feb. 28, 2001 - Two veterans of energy research have been named to newly created positions at the U.S. Department of Energy's National Renewable Energy Laboratory. Jack Darnell was named Deputy Associate Director for NREL's recently reorganized Planning and Technology Management Division. Anthony Schaffhauser has been
Nuclear Industry Job Descriptions Boilermaker
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Incident Team NNSA houses the Nuclear Incident Team (NIT), which is responsible for deploying assets at the request of coordinating agencies in response to a nuclear or radiological incident. The NIT's mission is to coordinate NNSA assets for deployment, continually monitor deployment activities, and provide situational awareness of activities to NNSA management. The NIT is staffed and fully operational within two hours of notification
Industry Job Descriptions Boilermaker Skilled craft who
FPD's Perspective Talking Points - Los Alamos National Labratory - NISA |
Department of Energy FPD's Perspective Talking Points - Los Alamos National Labratory - NISA FPD's Perspective Talking Points - Los Alamos National Labratory - NISA 2014 DOE Project Management Workshop PDF icon 30_FPD Perspective_Talking Points.pdf More Documents & Publications FPD's Perspective Photos - Los Alamos National Labratory - NISA Aligning Contract Incentives 2012 Annual Workforce Analysis and Staffing Plan Report - Los Alamos Field Office
FTCP Quarterly Report on Federal Technical Capability, August 18, 2015 |
Department of Energy 8, 2015 FTCP Quarterly Report on Federal Technical Capability, August 18, 2015 This Quarterly Report on the Federal Technical Capability Program (FTCP) contains information on the status of qualifications in the Technical Qualification Program (TQP) and technical skill gaps, on a quarterly basis. Report also displays trend data for overall TQP qualification and staffing shortfalls. PDF icon Quarterly Report on Federal Technical Capability 8-18-2015 More Documents &