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Project ID: P/BNL--PO-18 
Project Title: Materials, Methods, Microstructure, and Magnetism 
Project Description: The materials goals of this project are to address critical materials problems on the microstructural scale. Microstructural features such as dislocations, grain boundaries, impurities, precipitates, interfaces, and surfaces all break the periodicity of a perfect crystalline lattice and the fundamental questions relate to the locations of the atoms and their interactions (which determine, strength, ductility, transport properties, etc.). A major focus of our research is to establish the microscopic foundations for the relationship between technical magnetic properties and microstructure, i.e., what makes a good magnet. However, toward this goal are major problems involving microstructure (independent of magnetism), magnetism (independent of microstructure), giant magneto-resistance, and thermal properties. The materials research is predicated on exploiting the power of massively parallel supercomputers to develop a software environment for performing large scale quantum simulations on microstructural length and time scales. This is a joint project among the materials theory groups at Oak Ridge (ORNL), Ames, and Brookhaven National Laboratories, the computer and mathematical sciences groups at ORNL and Ames, and makes use of the massively parallel computers at the National Energy Research Scientific Computing Center (NERSC) and ORNL. 
Funding Mechanism: M&O 
Contract Number: AC02-76CH00016 
Research Organization: Brookhaven National Laboratory (BNL), Upton, NY (BNL) 
Web Site: www.bnl.gov 
Performance Location:  
Performance Location City: Upton 
Performance Location Zip: 11973-5000 
Point of Contact: Davenport, James W. 344-3789 
POC Phone: 516-344-3789 
POC Email:  
Start Date:  
Project Completion Date:  
Future Plans:  
Sponsoring Office:
USDOE Office of Science (SC) 
Budgeting and Reporting Codes:
FY BR Code Total Amount
1998 KJ0101030 $208,000.00
Principal Investigators:
Name Affiliation
Murtagh, Michael J. BNL
Nelson, David BNL
Weinert, Michael, BNL
Alatalo, Matti K. BNL
Watson, Richard E. BNL
Shapiro, Stephen M. BNL
Research Type: B  
Project URLs:  
Out-year FY Cost Estimate:  
Date Entered: 1998-12-01 
Last Update: 1998-12-03 

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Last Updated: November 17, 2008