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Correlation between thermodynamic stability and mechanical properties of Cu50Zr50 metallic glasses: Insights from atomistic simulations

文献类型：期刊论文

作者Feng, Shidong8; Li, Lin7; Lu, Xiaoqian6; Wang YJ(王云江)4,5; Ngai, Kia Ling3; Li, Maozhi2; Wang, Weihua1; Wang, LiMin8; Liu, RiPing8
刊名PHYSICAL REVIEW B
出版日期2025-04-01
卷号111期号:14页码:11
ISSN号2469-9950
DOI10.1103/PhysRevB.111.144105
通讯作者Feng, Shidong(shidongfeng@ysu.edu.cn) ; Wang, Yun-Jiang(yjwang@imech.ac.cn) ; Wang, Li-Min(limin_wang@ysu.edu.cn)
英文摘要The relaxation and mechanical properties of metastable materials are strongly correlated by their thermodynamic stability. However, such correlation has not been fully explored in metallic glasses. Progress in atomistic simulations has been limited by timescale constraints, preventing the reproduction of conditions observed in experimentally studied metallic glass samples. To address this challenge, we employ a hybrid molecular dynamics/Monte Carlo approach, which can generate Cu50Zr50 metallic glasses with low-energy states that closely correspond to experimental conditions. It is found that the large variations in the energy states lead to dramatic differences in both the microscopic shear transformation and the macroscopic shear band behaviors. Thermodynamically, these low-energy state metallic glasses exhibit low vibrational and configurational entropy. Kinetically, these low-energy state metallic glasses are characterized by local atom arrangement with high activation energies, which impede shear transformation and promote strain localization in shear bands. The correlation between mechanical properties and thermodynamic stability is analyzed through entropy, boson peak, activation energy, and structural features in metallic glasses, providing insights into their complex behavior.
分类号二类
WOS关键词MOLECULAR-DYNAMICS ; CONFIGURATIONAL ENTROPY ; BETA-RELAXATION ; LIQUIDS ; DEFORMATION ; DEFECTS ; MODEL ; FLOW ; PEAK
资助项目National Natural Science Foundation of China[12472112] ; National Major Scientific In-struments and Equipment Development Project of National Natural Science Foundation of China[52127808] ; Strategic Priority Research Program of Chi-nese Academy of Sciences[XDB0620103] ; Strategic Priority Research Program of Chi-nese Academy of Sciences[XDB0510301]
WOS研究方向Materials Science ; Physics
语种英语
WOS记录号WOS:001502641700004
资助机构National Natural Science Foundation of China ; National Major Scientific In-struments and Equipment Development Project of National Natural Science Foundation of China ; Strategic Priority Research Program of Chi-nese Academy of Sciences
其他责任者Feng, Shidong，王云江，Wang, Li-Min
源URL[http://dspace.imech.ac.cn/handle/311007/101799]  
专题力学研究所_非线性力学国家重点实验室
作者单位1.Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
2.Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China;
3.Univ Pisa, CNR, IPCF, I-56127 Pisa, Italy;
4.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China;
5.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China;
6.Shandong Lab Adv Mat & Green Mfg Yantai, Yantai 264000, Peoples R China;
7.Arizona State Univ, Sch Engn Matter Transport & Energy, Tempe, AZ 85287 USA;
8.Yanshan Univ, Ctr Adv Struct Mat, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China;
推荐引用方式
GB/T 7714		 Feng, Shidong,Li, Lin,Lu, Xiaoqian,et al. Correlation between thermodynamic stability and mechanical properties of Cu50Zr50 metallic glasses: Insights from atomistic simulations[J]. PHYSICAL REVIEW B,2025,111(14):11.
APA Feng, Shidong.,Li, Lin.,Lu, Xiaoqian.,王云江.,Ngai, Kia Ling.,...&Liu, RiPing.(2025).Correlation between thermodynamic stability and mechanical properties of Cu50Zr50 metallic glasses: Insights from atomistic simulations.PHYSICAL REVIEW B,111(14),11.
MLA Feng, Shidong,et al."Correlation between thermodynamic stability and mechanical properties of Cu50Zr50 metallic glasses: Insights from atomistic simulations".PHYSICAL REVIEW B 111.14(2025):11.

入库方式： OAI收割

来源：力学研究所

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