Hardening in thermally-aged Fe–Cr binary alloys: Statistical parameters of atomistic configuration
- Japan Atomic Energy Agency (JAEA), Tokai (Japan)
- Tohoku Univ., Oarai (Japan). Inst. for Materials Research
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Idaho National Lab. (INL), Idaho Falls, ID (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Through exploiting Monte Carlo methodology and molecular dynamics, we computationally simulate the spinodal decomposition of iron–chromium binary alloys and analyze the relationship between the increase of yield strength induced by the phase separation phenomenon, and statistical parameters of the atomistic configuration. We successfully model the experimentally-discovered proportional relationship between the hardness and the variation parameter (or V), and also found that the adequacy of the parameter V as an empirical indicator of hardening is limited, because it does not properly capture short-range atomistic configurations that influence the hardening. We anticipate that the short-range-order parameter has more potential to become universal descriptor of the phenomenon.
- Research Organization:
- Energy Frontier Research Centers (EFRC) (United States). Center for Materials at Irradiation and Mechanical Extremes (CMIME)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- 2008LANL1026
- OSTI ID:
- 1369954
- Alternate ID(s):
- OSTI ID: 1255338
- Journal Information:
- Acta Materialia, Vol. 89, Issue C; Related Information: CMIME partners with Los Alamos National Laboratory (lead); Carnegie Mellon University; University of Illinois, Urbana Champaign; Massachusetts Institute of Technology; University of Nebraska; ISSN 1359-6454
- Publisher:
- ElsevierCopyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
D-shell of iron atom of the amorphous FeCr 15 B 15 alloy effective charge change during the crystallization
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journal | January 2017 |
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