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Title: Charge transfer and atomic-level pressure in metallic glasses

This paper presents a systematic study on the charge transfer and ionicity in various metallic-glass forming systems, as well as its relationship with other atomic-level structure indicators, using the Bader analysis method and molecular dynamics simulation. It is shown that in a binary or multicomponent system, the chemical effects (when more than one elements present) appear to play a more important role in setting the absolute level of the atomic-level pressure, compared to the topological fluctuation.
Authors:
 [1] ;  [2]
  1. Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States)
  2. Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)
Publication Date:
OSTI Identifier:
22283272
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 5; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CHARGE TRANSPORT; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; ELECTRONIC STRUCTURE; FLUCTUATIONS; METALLIC GLASSES; MOLECULAR DYNAMICS METHOD