论文标题
高 - 室内合金的随机连续模型，具有短距离顺序
Stochastic Continuum Models for High--Entropy Alloys with Short-range Order
论文作者
论文摘要
高熵合金（HEAS）是一类新型材料，具有出色的工程特性。广泛的实验和第一原理/原子模拟证明了这一点，这些原子级别的短期顺序强烈影响HEAS的性质。在本文中，我们得出了具有原子模型的短距离顺序的HEAS的随机连续模型。获得适当的连续限量，以使原子水平随机性的均值和方差以及特征长度描述的短距离顺序保存在从原子相互作用模型到连续方程的过程中。具有短距离顺序的连续模型的形式为Ornstein-uhlenbeck（OU）过程。这验证了基于Zhang等人在现象学上采用的OU过程的连续模型。 [Acta Mater。，166（2019），第424--434页]，对于短期顺序的HEAS。我们得出了具有短距离顺序的随机连续模型，以使其在没有缺陷的HEAS中均具有弹性，并且带有脱位（线路缺陷）。获得的随机连续模型基于能量公式，其变化导致随机部分微分方程。
High entropy alloys (HEAs) are a class of novel materials that exhibit superb engineering properties. It has been demonstrated by extensive experiments and first principles/atomistic simulations that short-range order in the atomic level randomness strongly influences the properties of HEAs. In this paper, we derive stochastic continuum models for HEAs with short-range order from atomistic models. A proper continuum limit is obtained such that the mean and variance of the atomic level randomness together with the short-range order described by a characteristic length are kept in the process from the atomistic interaction model to the continuum equation. The obtained continuum model with short-range order is in the form of an Ornstein--Uhlenbeck (OU) process. This validates the continuum model based on the OU process adopted phenomenologically by Zhang et al. [Acta Mater., 166 (2019), pp. 424--434] for HEAs with short-range order. We derive such stochastic continuum models with short-range order for both elasticity in HEAs without defects and HEAs with dislocations (line defects). The obtained stochastic continuum models are based on the energy formulations, whose variations lead to stochastic partial differential equations.
