材料科学
铝
钛
打滑(空气动力学)
各向异性
六方晶系
从头算
可塑性
硬化(计算)
钛合金
结晶学
位错
从头算量子化学方法
冶金
合金
复合材料
热力学
有机化学
化学
物理
量子力学
分子
图层(电子)
作者
P. Kwasniak,S. Delannoy,F. Prima,E. Clouet
标识
DOI:10.1080/21663831.2023.2169082
摘要
Plasticity of hexagonal titanium–aluminum alloys depends on the solute concentration and the order state of Al atoms. Development of short-range order (SRO) modifies Al strengthening and impacts the competition between prismatic and basal slip modes. Using ab initio calculations, we study the interaction of a screw dislocation with isolated Al atoms and Al pairs in an hcp Ti existing in short-range ordered Ti–Al alloys. Calculated activation energies reveal pronounced hardening caused by Al addition for both slip systems, which become competitive. This hardening is enhanced for Al pairs, resulting in a reduced plastic anisotropy of Ti–Al alloys with SRO.
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