Statistical mechanics, entropy and temperature analog of dislocations moving on fluctuating resistance landscapes

IF 8.3 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
Shuang Lyu , Yuanhang Xia , Wei Li , Te Zhu , Yue Chen , Alfonso H.W. Ngan
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引用次数: 0

Abstract

High/medium-entropy alloys, also known as complex concentrated alloys (CCAs), are so called because the mixing entropy reaches a maximum when the constituent multi-elements adopt equiatomic ratios. However, the mixing entropy relates little to mechanical strength for which these alloys are most studied. By analyzing dislocations in VCoNi via electron microscopy and molecular-dynamics from a machine interatomic potential, their energies are found to obey a maximum-entropy distribution in the random alloy state, but not in the annealed state where local chemical order (LCO) exists. The maximum-entropy distribution is characterized by an athermal, mechanical analog of temperature which relates directly to the alloy strength and dominates over the real temperature over a wide range. The entropy of dislocations is a fingerprint of LCO, and statistical mechanics is an impeccable theoretical framework for understanding dislocations and strength in CCAs.

Abstract Image

Abstract Image

统计力学,熵和温度模拟位错在波动阻力上移动
高/中熵合金,又称复杂浓缩合金(CCAs),因其组成元素采用等原子比时混合熵达到最大值而得名。然而,混合熵与机械强度关系不大,而机械强度是这些合金研究最多的。通过电子显微镜和分子动力学对VCoNi中的位错进行分析,发现它们的能量在随机合金状态下服从最大熵分布,而在局部化学有序(LCO)存在的退火状态下则不服从最大熵分布。最大熵分布的特征是温度的非热力学模拟,与合金强度直接相关,在很大范围内优于实际温度。位错熵是LCO的指纹,统计力学是理解CCAs中位错和强度的完美理论框架。
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来源期刊
Acta Materialia
Acta Materialia 工程技术-材料科学:综合
CiteScore
16.10
自引率
8.50%
发文量
801
审稿时长
53 days
期刊介绍: Acta Materialia serves as a platform for publishing full-length, original papers and commissioned overviews that contribute to a profound understanding of the correlation between the processing, structure, and properties of inorganic materials. The journal seeks papers with high impact potential or those that significantly propel the field forward. The scope includes the atomic and molecular arrangements, chemical and electronic structures, and microstructure of materials, focusing on their mechanical or functional behavior across all length scales, including nanostructures.
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