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- W3146032358 abstract "Several sets of long-range F-S potential parameters for α-Fe and γ-Fe were deduced according to the method introduced by Sutton et al., and the optima were determined as follows: e=0.2453, a=0.28664 nm, n=7, m=4, c=7.7525 for α-Fe and e=0.0006, a=0.36467 nm, n=15, m=4, c=1104.7351 for γ-Fe. Accordingly, the isothermal-isobaric MD simulations were carried out with the set of optimal parameters for α-Fe and γ-Fe at different temperatures in barometric condition. The most-scale agreements between simulations and experiments both for microstructures and macroscopic properties strongly validate the application of this set of parameters to the MD simulation of α-Fe and γ-Fe, and further to the study of interfacial dynamics between metal and oxide." @default.
- W3146032358 created "2021-04-13" @default.
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- W3146032358 date "2007-01-01" @default.
- W3146032358 modified "2023-09-23" @default.
- W3146032358 title "MD Simulation of α-Fe and γ-Fe with Long-range F-S Potential" @default.
- W3146032358 hasPublicationYear "2007" @default.
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