Abstract Dislocation-dislocation interaction plays important roles in the strain hardening of crystalline materials. In this work, Molecular statics (MS) and dynamics (MD) simulations have been carried out to investigate the interaction of a screw-screw model which contains two non-parallel, non-coplanar 1/2 screw dislocations in niobium single crystal with body-centered-cubic structure. By means of MS simulations, we investigated the relationship between the dislocation spacing and the external shear stress needed to intersect them, and found the result is quite close to that derivated on the basis of dislocation elasticity theory. Using MD simulations, we studied the interaction of the interactive model and found that the evolution of the dislocation configurations under the applied stress is as follows: the intersection of the two dislocations, reaction to form a [001] binary junction, formation of the edge dipole and final release of the two dislocations. Depending on whether the local cross-slip of the screw segment takes place, the dislocation with an edge dipole connected by the [001] junction may be depinned by pinching off a 1/2[111] dislocation loop or not. Analogous release processes have been established theoretically or deduced experimentally. In addition, the effect of temperature and strain-rate on the interaction process is presented.

中文翻译：

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体心立方金属铌中两种不同 1/2<111> 螺旋位错之间相互作用的模拟

摘要 位错-位错相互作用在晶体材料的应变硬化中起着重要作用。在这项工作中，已经进行了分子静力学 (MS) 和动力学 (MD) 模拟，以研究包含两个非平行、非共面的 1/2 螺旋位错铌单晶与体的螺旋-螺旋模型的相互作用。 -中心立方结构。通过MS模拟，我们研究了位错间距与相交所需的外部剪应力之间的关系，发现结果与基于位错弹性理论推导的结果非常接近。利用MD模拟，我们研究了交互模型的相互作用，发现在施加应力下位错构型的演变如下：两个位错的交点，反应形成[001]二元结，形成边缘偶极子并最终释放两个位错。根据螺旋段的局部交叉滑移是否发生，具有由[001]结连接的边缘偶极子的位错可以通过夹断1/2[111]位错环来脱钉。类似的释放过程已经在理论上建立或通过实验推导出来。此外，还介绍了温度和应变速率对相互作用过程的影响。类似的释放过程已经在理论上建立或通过实验推导出来。此外，还介绍了温度和应变速率对相互作用过程的影响。类似的释放过程已经在理论上建立或通过实验推导出来。此外，还介绍了温度和应变速率对相互作用过程的影响。