晶格畸变对高熵合金弹性各向异性的影响,Journal of Alloys and Compounds

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晶格畸变对高熵合金弹性各向异性的影响
Journal of Alloys and Compounds ( IF 5.8 ) Pub Date : 2020-03-01 , DOI: 10.1016/j.jallcom.2019.152876
Chao-Chun Yen , Guan-Rong Huang , Yun-Cheng Tan , Han-Wen Yeh , Da-Ji Luo , Kang-Tien Hsieh , E-Wen Huang , Jien-Wei Yeh , Su-Jien Lin , Chun-Chieh Wang , Chin-Lung Kuo , Shou-Yi Chang , Yu-Chieh Lo

摘要高熵合金 (HEAs) 优异的机械性能在材料科学和工程领域取得了巨大成功。迄今为止的研究一直致力于研究严重的晶格畸变会导致什么。然而，大多数研究人员专注于它对塑性变形的刺激，而不是仔细研究弹性的变化。与传统合金相比，HEAs 可能表现出不成比例的弹性，并且由于严重的晶格畸变导致局部晶格应变不均匀。因此，有必要系统地考察其对 HEA 力学性能的影响。在本研究中，Lennard-Jones (LJ) 势、嵌入原子法 (EAM) 势和改良嵌入原子法 (MEAM)，分别进行了研究沿 [100]、[110] 和 [111] 加载方向对由 1 ∼ 5 个原子组成的几种 fcc 金属的杨氏模量 E (hkl) 和泊松比 ν (hkl, θ) 的晶格畸变影响。包括 Ni、Ni98W2、Ni96W4、FeCrNi 和 CoNiCrFeMn HEAs。此外，还使用了一种方法来分析单个元素在 HEA 环境中的弹性性能。因此，可以发现电子密度不一致的影响比与原子尺寸差异相关的晶格畸变的影响更显着。HEA 环境中的电子配置在弹性各向异性中起主要作用，而原子半径的差异起次要作用。

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Lattice distortion effect on elastic anisotropy of high entropy alloys

Abstract The superior mechanical properties of high-entropy alloys (HEAs) have made an outstanding success in materials science and engineering. Studies to date have been devoted to what the severe lattice distortion induces. However, most researchers focus on its stimulation to plastic deformation instead of scrutinizing the variations on elasticity. Compared with conventional alloys, HEAs may perform disproportionate elasticity with uneven local lattice strain resulting from the severe lattice distortion. Therefore, it is necessary to survey its influence on the mechanical properties of HEAs systematically. In this study, the Lennard-Jones (LJ) potential, the embedded atom method (EAM) potential, and the modified embedded atom method (MEAM), are respectively conducted to investigate the lattice distortion effect on Young’s modulus E (hkl) and Poisson’s ratio ν (hkl, θ) along [100], [110], and [111] loading directions for several fcc metals composed of 1 ∼ 5 atomic types, including Ni, Ni98W2, Ni96W4, FeCrNi, and CoNiCrFeMn HEAs. Also, a method is used to analyze the performance of the individual element on the elastic properties in the HEA environment. As a result, it can be unveiled that the effect of electron density inconsistency is more dominant than the effect of lattice distortion associated with the atomic size difference. The electronic configuration in the HEA environment plays a major role in elastic anisotropy while the difference of the atomic radii does the minor one. The anisotropy of CoNiCrFeMn HEA analyzed by this work is also consistent with in-situ neutron diffraction measurements.

更新日期：2020-03-01

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