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 Investigation of the deformation behavior and mechanical characteristics of polycrystalline chromium–nickel alloys using molecular dynamics
Tác giả hoặc Nhóm tác giả: Thi-Xuyen Bui, Te-Hua Fang, Chun-I Lee
Nơi đăng: Journal of Molecular Modeling (Springer Berlin Heidelberg); Số: 28;Từ->đến trang: 1-19;Năm: 2022
Lĩnh vực: Kỹ thuật; Loại: Bài báo khoa học; Thể loại: Quốc tế
TÓM TẮT
In this study, the mechanical properties and plastic deformation responses of nanocrystalline Cr–Ni alloy were investigated via tensile tests by molecular dynamics (MD) simulation. The effect of various compositions, various grain sizes (GSs) from 4.7 to 11.0 nm, and various temperatures from 300 to 1500 K is analyzed. The results indicate that the yield strength of the polycrystalline Cr–Ni alloy decreases as decreasing GS, which shows the inverse Hall–Petch relation in the metal softening as reducing GS. Young’s modulus (E) increases in the order of the increasing GSs and single crystalline. E rises as raising the percent of Ni from 5 to 15% and then decreases as increasing %Ni to 20%. Besides, E is the linear decrease function with increasing temperature. The maximum stress decreases as increasing temperature and increasing %Ni from 5 to 15%. But that decreases as increasing %Ni from 15 to 20%.
ABSTRACT
In this study, the mechanical properties and plastic deformation responses of nanocrystalline Cr–Ni alloy were investigated via tensile tests by molecular dynamics (MD) simulation. The effect of various compositions, various grain sizes (GSs) from 4.7 to 11.0 nm, and various temperatures from 300 to 1500 K is analyzed. The results indicate that the yield strength of the polycrystalline Cr–Ni alloy decreases as decreasing GS, which shows the inverse Hall–Petch relation in the metal softening as reducing GS. Young’s modulus (E) increases in the order of the increasing GSs and single crystalline. E rises as raising the percent of Ni from 5 to 15% and then decreases as increasing %Ni to 20%. Besides, E is the linear decrease function with increasing temperature. The maximum stress decreases as increasing temperature and increasing %Ni from 5 to 15%. But that decreases as increasing %Ni from 15 to 20%.
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