Role of diffusing interstitials on dislocation glide in refractory body centered cubic metals

Lauren T. W. Fey, Abigail Hunter, Irene Beyerlein
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Abstract

In this work, we employ a phase field dislocation dynamics technique to simulate dislocation motion in body centered cubic refractory metals with diffusing interstitials. Two distinct systems are treated, Nb with O interstitials and W with H interstitials, to consider both relatively small and large atomic size interstitials. Simulations without and with driving stress are designed to investigate the role of interstitial type and mobility on the glide of edge- and screw-character dislocations. The simulations reveal the various short- and long-range dislocation–interstitial interactions that can take place and their dependency on interstitial type, site occupation, stress state, and mobility of the interstitials relative to dislocations. We show that while interstitial O increases the breakaway stress for both screw and edge dislocations in Nb, interstitial H in low H concentrations makes screw dislocations easier and the edge dislocations harder to move. The simulations find that screw dislocation glide is enhanced by the presence of interstitials in both systems. Edge dislocation glide is enhanced in W-H and inhibited in Nb-O.
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扩散间隙对难熔体心立方金属中位错滑行的作用
在这项研究中,我们采用相场位错动力学技术来模拟具有扩散间隙的体心立方难熔金属中的位错运动。我们处理了两个不同的系统,即含有 O 间隙的 Nb 和含有 H 间隙的 W,以考虑相对较小和较大原子尺寸的间隙。设计了无驱动应力和有驱动应力的模拟,以研究间隙类型和迁移率对边缘位错和螺旋位错滑行的作用。模拟揭示了位错与间隙之间可能发生的各种短程和长程相互作用,以及它们对间隙类型、位点占据、应力状态和间隙相对于位错的流动性的依赖性。我们发现,在铌中,间隙 O 会增加螺位错和边位错的脱离应力,而低 H 浓度的间隙 H 则会使螺位错更容易移动,边位错更难移动。模拟发现,在这两种体系中,间隙的存在会增强螺位错的滑动。边缘位错滑行在 W-H 中得到增强,而在 Nb-O 中受到抑制。
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