Effects of vacancy on the thermodynamic properties of Co-Cr-Fe-Mn-Ni high-entropy alloys

被引：10
|
作者：
Song, Hongquan [1 ]
Ma, Qianjin [1 ]
Zhang, Wei [1 ]
Tian, Fuyang [2 ]
机构：
[1] Zhoukou Normal Univ, Coll Phys & Telecommun Engn, Zhoukou 466001, Peoples R China
[2] Univ Sci & Technol Beijing, Inst Appl Phys, Beijing 100083, Peoples R China
来源：
JOURNAL OF ALLOYS AND COMPOUNDS | 2021年 / 885卷
基金：
中国国家自然科学基金;
关键词：
High-entropy alloys; Phonon density of state; Atomic radius; Thermodynamic property;
D O I：
10.1016/j.jallcom.2021.160944
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
important product damage, vacancy topic worthy discussion, especially high-entropy alloys (HEAs). In this work, the phonon density of states (DOS) and thermodynamic properties of Co-Cr-Fe-Mn-Ni HEAs with the vacancy are studied based on the first-principles method. We find that the atomic radius dependent on local chemical environment is related to the phonon information and vibration entropy on the equal molar CoCrNi, CoCrFeNi and CoCrFeMnNi. The vacancy leads to an increase in the vibrational entropy and heat capacity. (c) 2021 Elsevier B.V. All rights reserved.
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页数：6
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