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Interaction of Intrinsic Point Defects with Dislocation Stress Fields in hcp Zirconium Crystal

机译:hcp锆晶体中本征点缺陷与位错应力场的相互作用

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摘要

The crystallographic, energetic, and kinetic characteristics of intrinsic point defects (vacancy-self-interstitial atom) in stable, metastable, and saddle configurations in hcp zirconium crystal have been calculated by the molecular-statics method. The spatial dependences of the interaction energies of intrinsic point defects and stress fields of rectilinear dislocations with Burgers vectors of 1/3[11 (2) over bar0], 1/3 [11 (2) over bar3], and [0001] have been found within the anisotropic linear theory of elasticity. The most likely trajectories of intrinsic point defects in dislocation stress fields (trajectories with minimum energy barriers for motion) have been constructed. Such trajectories result in dislocation only for the interaction of self-interstitial atoms with an edge dislocation that has a Burgers vector of 1/3 [11 (2) over bar3].
机译:通过分子静态方法计算出了hcp锆晶体中稳定,亚稳和鞍形构型的本征点缺陷(空位-自填隙原子)的晶体学,能谱和动力学特征。 Burgers向量在bar0上为1/3 [11(2),在bar3]上为1/3 [11(2)和[0001]的Burgers向量时,本征点缺陷和直线位错的应力场的相互作用能的空间依赖性为在各向异性线性弹性理论中被发现。已经构造了位错应力场中固有点缺陷的最可能轨迹(运动能量障碍最小的轨迹)。这样的轨迹仅导致自填隙原子与边距位错的相互作用,该边距位错的Burgers矢量为1/3 [bar3上的11(2)]。

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