期刊
JOURNAL OF CHEMICAL PHYSICS
卷 141, 期 2, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4884783
关键词
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资金
- Natural Science Foundation of China (NSFC) [11202178, 51010001, 51001009]
- Hunan Provincial Natural Science Foundation of China [14JJ3082]
- 111 Project [B07003]
- Program for Changjiang Scholars and Innovative Research Team in University
- Office of Naval Research (ONR) [N00014-10-1-0838]
- (U.S.) Army Research Office (US-ARO) [421-20-18]
Bulk metallic glasses (BMGs) are characterized by a number of remarkable physical and mechanical properties. Unfortunately, these same materials are often intrinsically brittle, which limits their utility. Consequently, considerable effort has been expended searching for correlations between the phenomenologically complex mechanical properties of metallic glasses and more basic properties, such correlations might provide insight into the structure and bonding controlling the deformation properties of BMGs. While conducting such a search, we uncovered a weak correlation between a BMG's work function and its susceptibility to brittle behavior. We argue that the basis for this correlation is a consequence of a component of the work function - the surface dipole - and a fundamental bond property related to the shape of the charge density at a bond critical point. Together these observations suggest that simple first principle calculations might be useful in the search for tougher BMGs. (C) 2014 AIP Publishing LLC.
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