首页> 外文期刊>Nature >Connecting atomistic and mesoscale simulations of crystal plasticity
【24h】

Connecting atomistic and mesoscale simulations of crystal plasticity

机译:连接原子和中尺度的晶体可塑性模拟

获取原文
获取原文并翻译 | 示例
           

摘要

A quantitative description of plastic deformation in crystalline solids requires a knowledge of how an assembly of dislocations— the defects responsible for crystal plasticity—evolves under stress. In this context, molecular-dynamics simulations have been used to elucidate interatomic processes on microscopic (~10~(-10)m) scales, whereas 'dislocation-dynamics' simulations have explored the long-range elastic interactions between dislocations on mesoscopic (~10~(-6)m) scales. But a quantitative connection between interatomic processes and behaviour on mesoscopic scales has hitherto been lacking. Here we show how such a connection can be made using large-scale (100 million atoms) molecular-dynamics simulations to establish the local rules for mesoscopic simulations of interacting dislocations. In our molecular-dynamics simulations, we observe directly the formation and subsequent destruction of a junction (a Lomer-Cottrell lock) between two dislocations in the plastic zone near a crack tip: the formation of such junctions is an essential process in plastic deformation, as they act as an obstacle to dislocation motion. The force required to destroy this junction is then used to formulate the critical condition for junction destruction in a dislocation-dynamics simulation, the results of which compare well with previous deformation experiments.
机译:对结晶固体中塑性变形的定量描述需要了解位错的集合(负责晶体可塑性的缺陷)在应力下如何演变。在这种情况下,分子动力学模拟已被用来阐明微观(〜10〜(-10)m)尺度上的原子间过程,而“位错动力学”模拟则探索了介观位错之间的远距离弹性相互作用(〜 10〜(-6)m)刻度。但是迄今为止,原子间过程和介观尺度上的行为之间缺乏定量联系。在这里,我们展示了如何使用大规模(1亿个原子)分子动力学模拟建立这种连接,从而为相互作用位错的介观模拟建立局部规则。在分子动力学模拟中,我们直接观察到裂纹尖端附近塑性区中两个位错之间的连接处(Lomer-Cottrell锁)的形成和随后的破坏:这种连接处的形成是塑性变形的基本过程,因为它们成为脱位运动的障碍。然后,在位错动力学模拟中,破坏该结点所需的力用于制定结点破坏的临界条件,其结果与先前的变形实验很好地进行了比较。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号