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Free Energy Criterion for Thermal Stability of Schwarz Nanocrystals

文献类型：期刊论文

作者Lei T(雷挺)1,2; Liu F(刘峰)1,2; Wu XL(武晓雷)1,2; Wang YJ(王云江)1,2
刊名NANO LETTERS
出版日期2025-04-30
卷号25期号:19页码:8058-8063
关键词Schwarz nanocrystal thermal stability free energy minimal surface grain boundary coherenttwin boundary
ISSN号1530-6984
DOI10.1021/acs.nanolett.5c02044
通讯作者Wu, Xiaolei(xlwu@imech.ac.cn) ; Wang, Yunjiang(yjwang@imech.ac.cn)
英文摘要The discovery of Schwarz nanocrystals (SCs)-characterized by interpenetrating networks of minimal surface grain boundaries (GBs) stabilized by coherent twin boundaries (CTBs)-has pushed the boundaries of nanoscience and nanotechnology to length scales of only a few nanometers. However, the physical mechanisms governing the thermal stability remain unresolved. Here we establish a free energy criterion for thermal stability of SC using large-scale thermodynamic integration, benchmarking SCs against other nanostructures such as Voronoi and Kelvin nanocrystals. Surprisingly, the free energy of minimal surface GBs in SCs is higher than that of conventional GBs in the Voronoi nanocrystal. Therefore, the competition between decreasing the GB volume fraction and increasing the local GB energy imposes a fundamental size limit. Kinetic stabilization of SCs is accommodated by the topological interlock between the CTBs and GBs. The free energy-based criterion for stability of SCs provides a rule for selecting Schwarz-like nanostructures stable at extreme conditions.
分类号一类
WOS关键词GRAIN ; STRENGTH ; POLYCRYSTALLINE ; COPPER ; SIZE
资助项目National Natural Science Foundation of China[XDB0510301] ; National Natural Science Foundation of China[XDB0620103] ; Strategic Priority Research Program of Chinese Academy of Sciences[2024YFA1208003] ; National Key Research and Development Program of China[12472112] ; National Natural Science Foundation of China
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种英语
WOS记录号WOS:001479395400001
资助机构National Natural Science Foundation of China ; Strategic Priority Research Program of Chinese Academy of Sciences ; National Key Research and Development Program of China ; National Natural Science Foundation of China
其他责任者武晓雷，王云江
源URL[http://dspace.imech.ac.cn/handle/311007/101181]  
专题力学研究所_非线性力学国家重点实验室
作者单位1.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China
2.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China;
推荐引用方式
GB/T 7714		 Lei T,Liu F,Wu XL,et al. Free Energy Criterion for Thermal Stability of Schwarz Nanocrystals[J]. NANO LETTERS,2025,25(19):8058-8063.
APA 雷挺,刘峰,武晓雷,&王云江.(2025).Free Energy Criterion for Thermal Stability of Schwarz Nanocrystals.NANO LETTERS,25(19),8058-8063.
MLA 雷挺,et al."Free Energy Criterion for Thermal Stability of Schwarz Nanocrystals".NANO LETTERS 25.19(2025):8058-8063.

入库方式： OAI收割

来源：力学研究所

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