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Indexed by:期刊论文

Date of Publication:2015-01-01

Journal:BULGARIAN CHEMICAL COMMUNICATIONS

Included Journals:SCIE

Volume:47

Issue:,D

Page Number:93-98

ISSN No.:0324-1130

Key Words:High entropy solid solution; Generalized stacking fault energy; Intrinsic stacking fault; Unstable stacking fault energy First principle

Abstract:The ab initio calculations have been used to study the generalized stacking fault energy (GSFE) for the closed-packed (1 1 1) plane along <1 1 2> direction in FCC high entropy solid solutionsAl(x)CoCrCuFeNi with x=0, 0.5, 1, 1.5 and 2, respectively. The GSFE curves have been calculated by the first principle. Our calculated results of the GSFEs for FCC Al are agreement with previous calculation. The GSFE curves of high entropy solid solutions AlxCoCrCuFeNi are similar to which of FCC Al. The intrinsic stacking fault energy (ISFE) gamma(isf) of AlxCoCrCuFeNi with x=1 is the maximum, and with x=2 is the least. The unstable stacking fault energy (USFE) gamma(us)of AlxCoCrCuFeNi with x=1 is maximum, and with x=0 is the least. The high entropy solid solution AlxCoCrCuFeNi with x=1 has the lowest gamma(us)/gamma(is)fratio value, so full dislocation will be observed easily. We calculated the Peierls stress by Peierls-Nabarro model with GSFE curve, the changing of Peierls stress is similar to USFE with the different mole fraction of Al.