Energy barrier for homogeneous dislocation nucleation: Comparing atomistic and continuum models

Sylvie Aubry; Keonwook Kang; Seunghwa Ryu

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Energy barrier for homogeneous dislocation nucleation: Comparing atomistic and continuum models

机译：均匀位错成核的能垒：原子模型和连续模型的比较

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We compare the energy barriers predicted by continuum mechanics models for homogeneous dislocation nucleation in copper with explicit atomistic calculations. We find that a relatively simple continuum model can agree with full atomistic calculations if the dislocation Burgers vector is allowed to increase continuously during nucleation. The analysis identifies the significant effect of the applied shear stress on the generalized stacking fault energy and leads to a more physical definition of the ideal shear strength.

机译：我们用显式原子计算比较了连续力学模型为铜中均匀位错形核所预测的能垒。我们发现，如果允许位错Burgers向量在成核过程中连续增加，则相对简单的连续体模型可以与完整的原子计算相符。分析确定了施加的剪切应力对广义堆垛层错能的重大影响，并导致了对理想剪切强度的更物理定义。

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《Scripta materialia》 |2011年第11期|共4页
作者
Sylvie Aubry; Keonwook Kang; Seunghwa Ryu;
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正文语种 eng
中图分类冶金工业;
关键词
Dislocation; Plastic deformation; Thermally activated processes; Atomistic simulations; Continuum models;

机译：位错;塑性变形;热激活过程;原子模拟;连续体模型;

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专利

1. Energy barrier for homogeneous dislocation nucleation: Comparing atomistic and continuum models [J] . Sylvie Aubry, Keonwook Kang, Seunghwa Ryu Scripta materialia . 2011,第11期

机译：均匀位错成核的能垒：原子模型和连续模型的比较
2. Nucleation and propagation of dislocations during nanopore lattice mending by laser annealing: Modified continuum-atomistic modeling [J] . Pei-Hsing Huang, Hsin-Yi Lai Physical review . 2008,第12期

机译：激光退火处理纳米孔晶格过程中的位错形核和扩展：改进的连续原子模型
3. Atomistic Activation Energy Criteria for Multi-Scale Modeling of Dislocation Nucleation in FCC Metals [J] . Burbery Nathaniel, Das Raj, Ferguson W. George, International journal of computational methods . 2016,第4期

机译：FCC金属中位错形核多尺度建模的原子活化能准则
4. Combination of Continuum and Atomistic Approaches for the Study of Dislocation Nucleation from Atomic Size Surface Defects [C] . Sandrine Brochard, Pierre Beauchamp, Jean Grilhe Symposium on Advances in Materials Theory and Modeling―Bridging Over Multiple-Length and Time Scales, Apr 16-20, 2001, San Francisco, California . 2001

机译：连续体和原子方法相结合的研究从原子尺寸表面缺陷位错成核
5. Continuum and atomistic modeling of dislocation nucleation at crystal surface ledges [D] . Zimmerman, Jonathan Andrew 2000

机译：晶体表面壁架位错成核的连续和原子模型
6. Size-dependent energy in crystal plasticity and continuum dislocation models [O] . Sinisa Dj. Mesarovic, Samuel Forest, Jovo P. Jaric -1

机译：晶体可塑性和连续位错模型中与尺寸有关的能量
7. A study of conditions for dislocation nucleation in coarser-than-atomistic scale models [O] . Garg Akanksha, Acharya Amit, Maloney Craig E. 2014

机译：原子尺度以上模型中位错成核条件的研究

Energy barrier for homogeneous dislocation nucleation: Comparing atomistic and continuum models

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