论文标题

浓缩固体溶液的多尺度纳米构造建模:连续可塑性模型

Multiscale nanoindentation modeling of concentrated solid solutions: A continuum plasticity model

论文作者

Frydrych, K., Dominguez-Gutierrez, F. J., Alava, M. J., Papanikolaou, S.

论文摘要

最近开发的单相浓缩固定合金(CSA)包含高浓度的多个元素物种,其不同的元素随机排列在晶格上。这些化学无序的材料具有出色的物理特性,包括高温热稳定性和硬度,并在极端运营环境的行业中采用了有希望的应用。本文的目的是首次介绍一个连续的可塑性模型,以构成面部以面部为中心的立方晶格的等值五元素CSA的行为。与原子的几乎等值分布引起的晶格扭曲相关的固有障碍,由单个参数α捕获,该参数α量化了各向同性塑性对模型的相对重要性。这导致多种可塑性机制超出了基于晶体学对称性的机制,在常规单元金属的情况下很常见。我们对等值型CSA进行分子动力学模拟:Nife,Nifecr,Nifecrco和Cantor合金来验证在有限元方法中实现的提出的连续模型,并应用于模型的纳米识别测试,以针对三种不同的晶体学方向进行模型。我们通过跟踪组合模型屈服表面来获得代表性的体积元素模型。

Recently developed single-phase concentrated solid-solution alloys (CSAs) contain multiple elemental species in high concentrations with different elements randomly arranged on a crystalline lattice. These chemically disordered materials present excellent physical properties, including high-temperature thermal stability and hardness, with promising applications to industries at extreme operating environments. The aim of this paper is to present a continuum plasticity model accounting for the first time for the behaviour of a equiatomic five-element CSA, that forms a face-centered cubic lattice. The inherent disorder associated with the lattice distortions caused by an almost equiatomic distribution of atoms, is captured by a single parameter α that quantifies the relative importance of an isotropic plastic contribution to the model. This results in multiple plasticity mechanisms that go beyond crystallographic symmetry-based ones, common in the case of conventional single element metals. We perform molecular dynamics simulations of equiatomic CSAs: NiFe, NiFeCr, NiFeCrCo, and Cantor alloys to validate the proposed continuum model which is implemented in the finite element method and applied to model nanoindentation tests for three different crystallographic orientations. We obtain the representative volume element model by tracking the combined model yield surface.

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