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Revisiting the structure-property relationship of metallic glasses: Common spatial correlation revealed as a hidden rule
Wei D(魏丹); Yang J(杨杰); Jiang MQ(蒋敏强); Wei BC(魏炳忱); Wang YJ(王云江); Dai LH(戴兰宏)
Source PublicationPHYSICAL REVIEW B
2019-01-31
Volume99Issue:1Pages:AR14115
ISSN2469-9950
AbstractWhat determines the glass property remains one of the major unsolved problems in both condensed matter physics and materials science. Despite extensive research attempting to identify possible structural features as property signatures in glasses obeying the conventional philosophy of "structure determines property" in matter, the hidden rule about why some proposed structures predict properties effectively but others do not is still poorly understood. Here we revisit some earlier proposed successful "structural descriptors" in glasses, e.g., vibrational mean-squared displacement, flexibility volume, participation fraction of low-frequency vibrational modes, and two-body excess entropy, correlating them with the long-time dynamic property of model glass probed via the activation energy for local structural excitation. We find that all four structural descriptors correlate strongly with the activation energy, presenting large Pearson's correlation coefficients. By examining the spatial nature of the activation energy and the structural descriptors, a common rule for the robustness of structure-property relationships in glasses is established, according to which there exists a critical characteristic correlation length. We further demonstrate the concept that complex structures determine the glass property by manipulating the cutoff distance used to define the two-body excess entropy. Only if this structural descriptor is defined involving atoms beyond the first nearest neighbor does it reproduce the feature of common spatial correlation range in glass. The presence of a common spatial correlation length strongly indicates that it is necessary to include the spatial correlation of a complex structure accounting for the dynamic property of metallic glasses.
DOI10.1103/PhysRevB.99.014115
Indexed BySCI ; EI
Language英语
WOS IDWOS:000457724400001
WOS KeywordMOLECULAR-DYNAMICS ; SUPERCOOLED LIQUIDS ; LOCAL ORDER ; DEFORMATION ; RELAXATION ; SIMULATIONS ; EVOLUTION ; DIFFUSION ; FRAGILITY ; BEHAVIOR
WOS Research AreaMaterials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS SubjectMaterials Science ; Physics
Funding OrganizationNational Key Research and Development Program of China [2017YFB0702003, 2017YFB0701502] ; NSFC [11672299, 11790292] ; Strategic Priority Research Program [XDB22040303] ; Key Research Program of Frontier Sciences [QYZDJSSW-JSC011] ; Youth Innovation Promotion Association of CAS [2017025]
Classification二类
Ranking1
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Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/78495
Collection非线性力学国家重点实验室
Affiliation1.{Wei, Dan、Yang, Jie、Jiang, Min-Qiang、Wang, Yun-Jiang、Dai, Lan-Hong} Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
2.{Wei, Dan、Yang, Jie、Jiang, Min-Qiang、Wei, Bing-Chen、Wang, Yun-Jiang、Dai, Lan-Hong} Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China
3.{Wei, Bing-Chen} Chinese Acad Sci, Inst Mech, Key Lab Micrograv, Natl Micrograv Lab, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Wei D,Yang J,Jiang MQ,et al. Revisiting the structure-property relationship of metallic glasses: Common spatial correlation revealed as a hidden rule[J]. PHYSICAL REVIEW B,2019,99(1):AR14115.
APA 魏丹,杨杰,蒋敏强,魏炳忱,王云江,&戴兰宏.(2019).Revisiting the structure-property relationship of metallic glasses: Common spatial correlation revealed as a hidden rule.PHYSICAL REVIEW B,99(1),AR14115.
MLA 魏丹,et al."Revisiting the structure-property relationship of metallic glasses: Common spatial correlation revealed as a hidden rule".PHYSICAL REVIEW B 99.1(2019):AR14115.
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