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EXAFS and molecular dynamics simulation studies of Cu-Zr metallic glass: Short-to-medium range order and glass forming ability
Lu, BF; Kong, LT; Laws, KJ; Xu, WQ; Jiang, Z; Huang, YY; Ferry, M; Li, JF; Zhou, YH
2018
Source PublicationMATERIALS CHARACTERIZATION
ISSN1044-5803
Volume141Pages:41-48
Subtype期刊论文
AbstractAtomic structures of Cu100-xZrx (x = 41.18-66.67) metallic glasses were investigated by extended X-ray absorption fine structure (EXAFS) spectroscopy and molecular dynamics (MD) simulations. It is demonstrated that both the fraction and average volume of the typical atomic clusters, characterized by Voronoi cells, are of compositional dependence. With the increasing of Zr content, the fraction of Cu and Zr centered Voronoi clusters with coordination number lower than 11 and 14 respectively increases, while that of clusters with larger coordination numbers reduces. Among the major Voronoi clusters, the Cu-centered icosahedra are distinctive. Their average volume is far smaller than that of the other Cu-centered Voronoi cells with the same coordination number. More importantly, they prefer to interlink into pentagon-rich icosahedral super-clusters. However, compared with their neighbors, the glasses with x = 44 and x = 50 exhibit no other particularity in Cu-centered icosahedra than a slightly enhanced interlink at x = 50 although glass forming ability (GFA) reaches a local maximum at these two compositions, indicating that there are other factors dominating the GFA change with composition. A significant reduction in free volume for the loosely packed regions takes place at x = 44 and x = 50, due to which the corresponding Cu-Zr metallic glasses have the maximum microhardness.
KeywordMechanical-behavior Structural Model Alloys Deformation Disorder Liquids System
DOI10.1016/j.matchar.2018.04.036
Indexed BySCI
Language英语
WOS IDWOS:000435428100005
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/29010
Collection中科院上海应用物理研究所2011-2018年
Affiliation1.Lu, BF
2.Kong, LT
3.Laws, KJ
4.Xu, WQ
5.Jiang, Z
6.Huang, YY
7.Ferry, M
8.Li, JF
9.Zhou, YH
Recommended Citation
GB/T 7714
Lu, BF,Kong, LT,Laws, KJ,et al. EXAFS and molecular dynamics simulation studies of Cu-Zr metallic glass: Short-to-medium range order and glass forming ability[J]. MATERIALS CHARACTERIZATION,2018,141:41-48.
APA Lu, BF.,Kong, LT.,Laws, KJ.,Xu, WQ.,Jiang, Z.,...&Zhou, YH.(2018).EXAFS and molecular dynamics simulation studies of Cu-Zr metallic glass: Short-to-medium range order and glass forming ability.MATERIALS CHARACTERIZATION,141,41-48.
MLA Lu, BF,et al."EXAFS and molecular dynamics simulation studies of Cu-Zr metallic glass: Short-to-medium range order and glass forming ability".MATERIALS CHARACTERIZATION 141(2018):41-48.
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