Multiscale modeling of dislocation patterns and simulation of nanoscale plasticity in body-centered cubic (BCC) single crystals
Multiscale modeling of dislocation patterns and simulation of nanoscale plasticity in body-centered cubic (BCC) single crystals
复制标题
位错模式的多尺度建模和体心立方（BCC）单晶纳米级塑性的模拟
DOI：
10.1016/j.jmps.2019.06.006
复制
发表时间：
2019
影响因子：
5.3
通讯作者：
Shaofan Li
中科院分区：
文献类型：
--
作者：
Lu;Yuxi Xie;Dandan Lyu;Shaofan Li
理解位错增殖、相互作用和晶体可塑性一直是具有重大科学意义的长期挑战。结合原子富集本构定律和连续统有限元公式，我们开发了一个多尺度框架来捕捉体心立方（BCC）单晶中几何相容的位错模式。该位错模式动力学框架已成功应用于面心立方（FCC）晶体塑性研究，称为多尺度晶体缺陷动力学（MCDD）方法。本文在继承MCDD方法的基础上，建立了BCC晶体的多尺度位错模式动力学模型，具有以下创新点：(1)与分子动力学方法相比，MCDD可以更有效、更大规模地预测BCC晶体的塑性；(2) MCDD可以捕捉到BCC晶体中几何相容位错模式的分布和演化；(3)MCDD可以捕捉到纳米尺度下BCC单晶中晶体塑性的尺寸效应，或模拟BCC单晶的尺寸依赖性塑性。特别是，我们在桌面环境中使用串行计算代码成功地模拟了亚微米尺度的BCC晶体的晶体塑性。
Understanding dislocation multiplication, interactions, and hence crystal plasticity has been a long-standing challenge of major scientific significance. Combining atomistic enriched constitutive law with continuum finite element formulation, we developed a multiscale framework to capture geometrically-compatible dislocation patterns in Body Centered Cubic (BCC) single crystals. This dislocation pattern dynamics framework was successfully applied to study crystal plasticity in Face Centered Cubic (FCC) crystals before, coined as theMultiscale Crystal Defect Dynamics(MCDD) method. Inheriting from MCDD method, we now established a multiscale dislocation pattern dynamics model for BCC crytals with the following novelties: (1) Comparing with molecular dynamics approach, MCDD can predict crystal plasticity in BCC crystals in a more efficient way and in larger scale; (2) MCDD can capture the geometrically-compatible dislocation pattern distribution and evolution in BCC crystals, and (3) MCDD can capture the size effect of crystal plasticity in single BCC crystals at nanoscale, or to simulate size-dependent plasticity in BCC single crystals. In particular, we have successfully simulated crystal plasticity in a BCC crystal at the sub-micron scale by using a serial computing code in a desktop environment.
影响因子：
9.8
作者：
Das, Suchandrima;Hofmann, Felix;Tarleton, Edmund
通讯作者：
Tarleton, Edmund