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Title: Final Report for DE-FG02-99ER45795

The research supported by this grant focuses on atomistic studies of defects, phase transitions, electronic and magnetic properties, and mechanical behaviors of materials. We have been studying novel properties of various emerging nanoscale materials on multiple levels of length and time scales, and have made accurate predictions on many technologically important properties. A significant part of our research has been devoted to exploring properties of novel nano-scale materials by pushing the limit of quantum mechanical simulations, and development of a rigorous scheme to design accurate classical inter-atomic potentials for larger scale atomistic simulations for many technologically important metals and metal alloys.
Authors:
 [1]
  1. The Ohio State Univ., Columbus, OH (United States)
Publication Date:
OSTI Identifier:
1251165
Report Number(s):
Final
DOE Contract Number:
FG02-99ER45795
Resource Type:
Technical Report
Research Org:
The Ohio State Univ., Columbus, OH (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE