标题： 共格析出物具有小晶格失配的有限温度原子和连续应力场 显示英文标题

标题： Finite-Temperature Atomistic and Continuum Stress Fields of Coherent Precipitates with a Small Lattice Misfit

摘要： 对相干微结构弹性效应的准确描述对于许多结构材料的微观结构演化的预测建模是必要的。到目前为止，还没有展示连续弹性模型如何能够从原子模拟中再现相干析出物的有限温度应力场和弹性能估计。我们比较了来自原子模拟数据和连续弹性建模的体心立方（BCC）Fe-Cr系统中相干析出物的应力场。应力场的大小和拓扑结构在两种方法之间显示出良好的一致性，并且我们展示了弹性效应对此小晶格失配系统吉布斯-汤普森效应的重要性。最后，我们讨论了在较大失配系统中连续建模可能遇到的复杂性。 显示英文摘要

摘要： An accurate description of elastic effects of coherent microstructures is necessary for the predictive modeling of microstructural evolution in many structural materials. To date, there has not been a demonstration on how continuum elasticity models are able to reproduce finite-temperature stress-fields and elastic energy estimates of coherent precipitates from atomistic simulations. We present a comparison of stress-fields of coherent precipitates in the body-centered cubic (BCC) Fe-Cr system obtained from atomistic simulation data and from continuum elasticity modeling. The magnitude and topology of the stress-fields show good agreement between the two approaches, and we show the importance of elastic effects on the Gibbs-Thompson effect for this small lattice misfit system. We conclude with a discussion of potential complications of continuum modeling for systems with larger misfit.