Revisiting the structure-property relationship of metallic glasses: Common spatial correlation revealed as a hidden rule

doi:10.1103/PhysRevB.99.014115

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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)
发表期刊	PHYSICAL REVIEW B
	2019-01-31
卷号	99 期号:1 页码:AR14115
ISSN	2469-9950
摘要	What 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.
DOI	10.1103/PhysRevB.99.014115
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000457724400001
关键词[WOS]	MOLECULAR-DYNAMICS ; SUPERCOOLED LIQUIDS ; LOCAL ORDER ; DEFORMATION ; RELAXATION ; SIMULATIONS ; EVOLUTION ; DIFFUSION ; FRAGILITY ; BEHAVIOR
WOS研究方向	Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS类目	Materials Science ; Physics
项目资助者	National 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]
论文分区	二类
力学所作者排名	1
RpAuthor	Wang, YJ
引用统计	被引频次：53[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/78495
专题	非线性力学国家重点实验室
作者单位	1.{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
推荐引用方式 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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