Structural disorder in metallic glass-forming liquids

被引：26

作者：

Pan, Shao-Peng ^{[1
,2
]}

Feng, Shi-Dong ^{[3
]}

Wang, Li-Min ^{[3
]}

Qiao, Jun-Wei ^{[1
,2
]}

Niu, Xiao-Feng ^{[1
,2
]}

Dong, Bang-Shao ^{[4
]}

Wang, Wei-Min ^{[5
]}

Qin, Jing-Yu ^{[5
]}

机构：

[1] Taiyuan Univ Technol, Coll Mat Sci & Engn, Taiyuan 030024, Peoples R China

[2] Taiyuan Univ Technol, Shanxi Key Lab Adv Magnesium Based Mat, Taiyuan 030024, Peoples R China

[3] Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China

[4] Adv Technol & Mat Co Ltd, China Iron & Steel Res Inst Grp, Beijing 100081, Peoples R China

[5] Shandong Univ, Minist Educ, Key Lab Liquid Solid Struct Evolut & Proc Mat, Jinan 250061, Peoples R China

来源：

SCIENTIFIC REPORTS | 2016年 / 6卷

基金：

中国国家自然科学基金;

关键词：

ATOMIC-STRUCTURE; ORDER; HETEROGENEITY; RELAXATION;

D O I：

10.1038/srep27708

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

We investigated structural disorder by a new structural parameter, quasi-nearest atom (QNA), in atomistic configurations of eight metallic glass-forming systems generated through molecular dynamics simulations at various temperatures. Structural analysis reveals that the scaled distribution of the number of QNA appears to be an universal property of metallic liquids and the spatial distribution of the number of QNA displays to be clearly heterogeneous. Furthermore, the new parameter can be directly correlated with potential energy and structural relaxation at the atomic level. Some straightforward relationships between QNA and other properties (per-atom potential energy and a-relaxation time) are introduced to reflect structure-property relationship in metallic liquids. We believe that the new structural parameter can well reflect structure disorder in metallic liquids and play an important role in understanding various properties in metallic liquids.

引用

页数：9

共 33 条

[11] Coupling between chemical and dynamic heterogeneities in a multicomponent bulk metallic glass [J].

Fujita, T. ;

Guan, P. F. ;

Sheng, H. W. ;

Inoue, A. ;

Sakurai, T. ;

Chen, M. W. .

PHYSICAL REVIEW B, 2010, 81 (14)

[12] Geometric Frustration of Icosahedron in Metallic Glasses [J].

Hirata, A. ;

Kang, L. J. ;

Fujita, T. ;

Klumov, B. ;

Matsue, K. ;

Kotani, M. ;

Yavari, A. R. ;

Chen, M. W. .

SCIENCE, 2013, 341 (6144) :376-379

[13] Five-fold symmetry as indicator of dynamic arrest in metallic glass-forming liquids [J].

Hu, Y. C. ;

Li, F. X. ;

Li, M. Z. ;

Bai, H. Y. ;

Wang, W. H. .

NATURE COMMUNICATIONS, 2015, 6

[14] Atomic size and chemical effects on the local order of Zr2M (M=Co, Ni, Cu, and Ag) binary liquids [J].

Huang, Li ;

Wang, C. Z. ;

Hao, S. G. ;

Kramer, M. J. ;

Ho, K. M. .

PHYSICAL REVIEW B, 2010, 81 (01)

[15] TESTING MODE-COUPLING THEORY FOR A SUPERCOOLED BINARY LENNARD-JONES MIXTURE .2. INTERMEDIATE SCATTERING FUNCTION AND DYNAMIC SUSCEPTIBILITY [J].

KOB, W ;

ANDERSEN, HC .

PHYSICAL REVIEW E, 1995, 52 (04) :4134-4153

[16] Structural heterogeneity and medium-range order in ZrxCu100-x metallic glasses [J].

Li, Maozhi ;

Wang, C. Z. ;

Hao, S. G. ;

Kramer, M. J. ;

Ho, K. M. .

PHYSICAL REVIEW B, 2009, 80 (18)

[17] Metallic Liquids and Glasses: Atomic Order and Global Packing [J].

Liu, X. J. ;

Xu, Y. ;

Hui, X. ;

Lu, Z. P. ;

Li, F. ;

Chen, G. L. ;

Lu, J. ;

Liu, C. T. .

PHYSICAL REVIEW LETTERS, 2010, 105 (15)

[18] Tuning order in disorder [J].

Ma, Evan .

NATURE MATERIALS, 2015, 14 (06) :547-552

[19] THE ALGORITHM FOR 3-DIMENSIONAL VORONOI POLYHEDRA [J].

MEDVEDEV, NN .

JOURNAL OF COMPUTATIONAL PHYSICS, 1986, 67 (01) :223-229

[20] Development of interatomic potentials appropriate for simulation of liquid and glass properties of NiZr2 alloy [J].

Mendelev, M. I. ;

Kramer, M. J. ;

Hao, S. G. ;

Ho, K. M. ;

Wang, C. Z. .

PHILOSOPHICAL MAGAZINE, 2012, 92 (35) :4454-4469

← 1 2 3 4 →