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赵纪军
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教授   博士生导师   硕士生导师

任职 : 三束材料改性教育部重点实验室主任

性别: 男

毕业院校: 南京大学

学位: 博士

所在单位: 物理学院

学科: 凝聚态物理

电子邮箱: zhaojj@dlut.edu.cn

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Elastic properties of vanadium-based alloys from first-principles theory

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论文类型: 期刊论文

发表时间: 2012-07-10

发表刊物: PHYSICAL REVIEW B

收录刊物: SCIE、Scopus

卷号: 86

期号: 1

ISSN号: 1098-0121

摘要: The effect of Cr and Ti on the fundamental mechanical properties of V-Cr-Ti alloys has been investigated using the all-electron exact muffin-tin orbitals method in combination with the coherent-potential approximation. The static lattice constant and elastic parameters have been calculated for the body-centered-cubic V1-x-yCrxTiy (0 <= x,y <= 0.1) random solid solution as a function of composition. Our theoretical predictions are in good agreement with the available experimental data. Alloys along the equicomposition region are found to exhibit the largest shear and Young's modulus as a result of the opposite alloying effects obtained for the two cubic shear elastic constants. The classical solid-solution hardening (SSH) model predicts larger strengthening effect in V1-yTiy than in V1-xCrx. By considering a phenomenological expression for the ductile-brittle transition temperature (DBTT) in terms of Peierls stress and SSH, it is shown that the present theoretical results can account for the variations of DBTT with composition.

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