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Atomistic origin of size effects in fatigue behavior of metallic glasses EI SCIE Scopus
期刊论文 | 2017 , 104 , 84-95 | JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS | IF: 3.566
WoS CC Cited Count: 12 SCOPUS Cited Count: 15
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Abstract :

While many experiments and simulations on metallic glasses (MGs) have focused on their tensile ductility under monotonic loading, the fatigue mechanisms of MGs under cyclic loading still remain largely elusive. Here we perform molecular dynamics (MD) and finite element simulations of tension-compression fatigue tests in MGs to elucidate their fatigue mechanisms with focus on the sample size effect. Shear band (SB) thickening is found to be the inherent fatigue mechanism for nanoscale MGs. The difference in fatigue mechanisms between macroscopic and nanoscale MGs originates from whether the SB forms partially or fully through the cross-section of the specimen. Furthermore, a qualitative investigation of the sample size effect suggests that small sample size increases the fatigue life while large sample size promotes cyclic softening and necking. Our observations on the size-dependent fatigue behavior can be rationalized by the Gurson model and the concept of surface tension of the nanovoids. The present study sheds light on the fatigue mechanisms of MGs and can be useful in interpreting previous experimental results. (C) 2017 Elsevier Ltd. All rights reserved.

Keyword :

Metallic glasses Fatigue mechanism Molecular dynamics simulations Finite element modeling

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GB/T 7714 Sha, Zhendong , Wong, Wei Hin , Pei, Qingxiang et al. Atomistic origin of size effects in fatigue behavior of metallic glasses [J]. | JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS , 2017 , 104 : 84-95 .
MLA Sha, Zhendong et al. "Atomistic origin of size effects in fatigue behavior of metallic glasses" . | JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS 104 (2017) : 84-95 .
APA Sha, Zhendong , Wong, Wei Hin , Pei, Qingxiang , Branicio, Paulo Sergio , Liu, Zishun , Wang, Tiejun et al. Atomistic origin of size effects in fatigue behavior of metallic glasses . | JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS , 2017 , 104 , 84-95 .
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Deformation and failure mechanisms of nanoscale cellular structures of metallic glasses EI SCIE Scopus
期刊论文 | 2016 , 6 (103) , 100899-100907 | RSC ADVANCES | IF: 3.108
WoS CC Cited Count: 2 SCOPUS Cited Count: 6
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Abstract :

Cellular metallic glasses (MGs) can be good candidates for structural and functional applications due to their light weight, enhanced ductility and excellent energy absorption performance. Motivated by the size-dependent mechanical properties of MGs, we perform molecular dynamics simulations of uniaxial compression testing on MGs with nanoscale cellular structures, focusing on the influence of cell size, shape, pattern, and ratio of the cell size to the spacing on the deformation behaviors. With increasing cell size, a clear transition in failure mode from localized plastic deformation to homogeneous plastic deformation is observed. Furthermore, we show that MGs with circular cellular structures exhibit higher strength and energy absorption capacity than those with hexagonal cellular structures due to the reduction of the stress concentration in the honeycomb's joints, in agreement with recent experimental studies. Finally, with decreasing the cell size to spacing ratio, shear band (SB) formation is observed when the shortest distance between the neighbouring cells in the diagonal direction reaches a value comparable to the SB thickness. Our present results not only provide an in-depth atomic understanding of the deformation and failure mechanisms of MGs with nanoscale cellular structures, but also propose an effective way to attain optimized material properties through controlling the cell features.

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GB/T 7714 Zhang, J. C. , Chen, C. , Pei, Q. X. et al. Deformation and failure mechanisms of nanoscale cellular structures of metallic glasses [J]. | RSC ADVANCES , 2016 , 6 (103) : 100899-100907 .
MLA Zhang, J. C. et al. "Deformation and failure mechanisms of nanoscale cellular structures of metallic glasses" . | RSC ADVANCES 6 . 103 (2016) : 100899-100907 .
APA Zhang, J. C. , Chen, C. , Pei, Q. X. , Wan, Q. , Zhang, W. X. , Sha, Z. D. . Deformation and failure mechanisms of nanoscale cellular structures of metallic glasses . | RSC ADVANCES , 2016 , 6 (103) , 100899-100907 .
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Ab initio study on the electronic origin of glass-forming ability in the binary Cu-Zr and the ternary Cu-Zr-Al(Ag) metallic glasses EI SCIE Scopus
期刊论文 | 2015 , 619 , 16-19 | JOURNAL OF ALLOYS AND COMPOUNDS | IF: 3.014
WoS CC Cited Count: 17 SCOPUS Cited Count: 19
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Abstract :

It is believed that the basic local cluster in metallic glasses (MGs) is the key to understand the origin of glass-forming ability (GFA) of MGs. Our ab initio simulations on the basic cluster in the binary Cu-Zr MGs as well as in the ternary Cu-Zr-Al(Ag) MGs provide the most straightforward evidence that the electronic stability of the basic cluster in MGs is the origin of the GFA. Our calculations reveal that the stability of the basic cluster is determined by its electronic states near the Fermi level. For the basic clusters in the best glass formers of Cu-Zr MGs, a gap near Fermi level is observed, indicating the stability of the basic clusters. With substitution of one Al(Ag) atom into the basic cluster in Cu50Zr50 MGs, a strong sp-d coupling of Al(Ag) with Cu and Zr is observed, which results in a stronger bonding and thus more stability of the basic cluster. Our findings provide a check for the atomic structural models proposed over the years for MGs, and have implications for understanding the formation and properties of MGs. (C) 2014 Elsevier B.V. All rights reserved.

Keyword :

Ab initio simulations Atomic scale structure Metallic glasses The glass-forming ability

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GB/T 7714 Sha, Z. D. , Pei, Q. X. . Ab initio study on the electronic origin of glass-forming ability in the binary Cu-Zr and the ternary Cu-Zr-Al(Ag) metallic glasses [J]. | JOURNAL OF ALLOYS AND COMPOUNDS , 2015 , 619 : 16-19 .
MLA Sha, Z. D. et al. "Ab initio study on the electronic origin of glass-forming ability in the binary Cu-Zr and the ternary Cu-Zr-Al(Ag) metallic glasses" . | JOURNAL OF ALLOYS AND COMPOUNDS 619 (2015) : 16-19 .
APA Sha, Z. D. , Pei, Q. X. . Ab initio study on the electronic origin of glass-forming ability in the binary Cu-Zr and the ternary Cu-Zr-Al(Ag) metallic glasses . | JOURNAL OF ALLOYS AND COMPOUNDS , 2015 , 619 , 16-19 .
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Ab initio molecular dynamics study of the local atomic structures in monatomic metallic liquid and glass EI SCIE Scopus
期刊论文 | 2015 , 77 , 1-5 | MATERIALS & DESIGN | IF: 3.997
WoS CC Cited Count: 21
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Abstract :

Monatomic metallic glasses (MGs), being the simplest glass formers, have been obtained successfully in recent experiments, offering unique possibilities for studying the local atomic structures in glasses. In this study, the atomic-level structures in tantalum (Ta) liquid and Ta monatomic MG have been analyzed using ab initio molecular dynamics simulations. A comparison of atomic structures in monatomic MGs and in multicomponent MGs has been made. It is found that the dominant Voronoi polyhedra in Ta monatomic MG is the distorted icosahedra [0, 1, 10, 2] rather than the full icosahedra [0, 0, 12, 0], which has been identified as the basic local structure in many multicomponent MGs. Our results reveal that the fundamental process of Ta MG formation is the formation of icosahedral type clusters, including the distorted and full icosahedra. The global atomic packing in Ta MG can be characterized by the spherical-periodic order combined with the local translational symmetry of atomic arrangements in MGs, in good agreement with previous theoretical and experimental studies on multicomponent MGs. Our findings have implications in understanding the formation of MGs, and provide a check for the existing atomic structural models proposed over the years for MGs. (C) 2015 Elsevier Ltd. All rights reserved.

Keyword :

Local atomic structures Monatomic metallic glasses Ab initio molecular dynamics

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GB/T 7714 Zhang, J. C. , Chen, C. , Pei, Q. X. et al. Ab initio molecular dynamics study of the local atomic structures in monatomic metallic liquid and glass [J]. | MATERIALS & DESIGN , 2015 , 77 : 1-5 .
MLA Zhang, J. C. et al. "Ab initio molecular dynamics study of the local atomic structures in monatomic metallic liquid and glass" . | MATERIALS & DESIGN 77 (2015) : 1-5 .
APA Zhang, J. C. , Chen, C. , Pei, Q. X. , Wan, Q. , Zhang, W. X. , Sha, Z. D. . Ab initio molecular dynamics study of the local atomic structures in monatomic metallic liquid and glass . | MATERIALS & DESIGN , 2015 , 77 , 1-5 .
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Friction between silicon and diamond at the nanoscale EI SCIE Scopus
期刊论文 | 2015 , 48 (25) | JOURNAL OF PHYSICS D-APPLIED PHYSICS | IF: 2.772
WoS CC Cited Count: 5
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Abstract :

This work investigates the nanoscale friction between diamond-structure silicon (Si) and diamond via molecular dynamics simulation. The interaction between the interfaces is considered as strong covalent bonds. The effects of load, sliding velocity, temperature and lattice orientation are investigated. Results show that the friction can be divided into two stages: the static friction and the kinetic friction. During the static friction stage, the load, lattice orientation and temperature dramatically affects the friction by changing the elastic limit of Si. Large elastic deformation is induced in the Si block, which eventually leads to the formation of a thin layer of amorphous Si near the Si-diamond interface and thus the beginning of the kinetic friction stage. During the kinetic friction stage, only temperature and velocity have an effect on the friction. The investigation of the microstructural evolution of Si demonstrated that the kinetic friction can be categorized into two modes (stick-slip and smooth sliding) depending on the temperature of the fracture region.

Keyword :

nanoscale friction silicon molecular dynamics simulation

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GB/T 7714 Bai, Lichun , Sha, Zhen-Dong , Srikanth, Narasimalu et al. Friction between silicon and diamond at the nanoscale [J]. | JOURNAL OF PHYSICS D-APPLIED PHYSICS , 2015 , 48 (25) .
MLA Bai, Lichun et al. "Friction between silicon and diamond at the nanoscale" . | JOURNAL OF PHYSICS D-APPLIED PHYSICS 48 . 25 (2015) .
APA Bai, Lichun , Sha, Zhen-Dong , Srikanth, Narasimalu , Pei, Qing-Xiang , Wang, Xu , Srolovitz, David J. et al. Friction between silicon and diamond at the nanoscale . | JOURNAL OF PHYSICS D-APPLIED PHYSICS , 2015 , 48 (25) .
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Effects of temperature and strain rate on the mechanical properties of silicene EI SCIE Scopus
期刊论文 | 2014 , 115 (2) | JOURNAL OF APPLIED PHYSICS | IF: 2.183
WoS CC Cited Count: 41
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Abstract :

Silicene, a graphene-like two-dimensional silicon, has attracted great attention due to its fascinating electronic properties similar to graphene and its compatibility with existing semiconducting technology. So far, the effects of temperature and strain rate on its mechanical properties remain unexplored. We investigate the mechanical properties of silicene under uniaxial tensile deformation by using molecular dynamics simulations. We find that the fracture strength and fracture strain of silicene are much higher than those of bulk silicon, though the Young's modulus of silicene is lower than that of bulk silicon. An increase in temperature decreases the fracture strength and fracture strain of silicene significantly, while an increase in strain rate enhances them slightly. The fracture process of silicene is also studied and brittle fracture behavior is observed in the simulations. (C) 2014 AIP Publishing LLC.

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GB/T 7714 Pei, Qing-Xiang , Sha, Zhen-Dong , Zhang, Ying-Yan et al. Effects of temperature and strain rate on the mechanical properties of silicene [J]. | JOURNAL OF APPLIED PHYSICS , 2014 , 115 (2) .
MLA Pei, Qing-Xiang et al. "Effects of temperature and strain rate on the mechanical properties of silicene" . | JOURNAL OF APPLIED PHYSICS 115 . 2 (2014) .
APA Pei, Qing-Xiang , Sha, Zhen-Dong , Zhang, Ying-Yan , Zhang, Yong-Wei . Effects of temperature and strain rate on the mechanical properties of silicene . | JOURNAL OF APPLIED PHYSICS , 2014 , 115 (2) .
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A transition from localized shear banding to homogeneous superplastic flow in nanoglass EI SCIE Scopus
期刊论文 | 2013 , 103 (21) | APPLIED PHYSICS LETTERS | IF: 3.515
WoS CC Cited Count: 45 SCOPUS Cited Count: 50
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Abstract :

A promising remedy to the failure of metallic glasses (MGs) by shear banding is the use of a dense network of glass-glass interfaces, i.e., a nanoglass (NG). Here we investigate the effect of grain size (d) on the failure of NG by performing molecular dynamics simulations of tensile-loading on Cu50Zr50 NG with d = to 15 nm. Our results reveal a drastic change in deformation mode from a single shear band (d similar to 15 to 10 nm), to cooperative shear failure (d similar to 10 to 5 nm), to homogeneous superplastic flow (d <= 5 nm). Our results suggest that grain size can be an effective design parameter to tune the mechanical properties of MGs. (C) 2013 AIP Publishing LLC.

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GB/T 7714 Adibi, Sara , Sha, Zhen-Dong , Branicio, Paulo S. et al. A transition from localized shear banding to homogeneous superplastic flow in nanoglass [J]. | APPLIED PHYSICS LETTERS , 2013 , 103 (21) .
MLA Adibi, Sara et al. "A transition from localized shear banding to homogeneous superplastic flow in nanoglass" . | APPLIED PHYSICS LETTERS 103 . 21 (2013) .
APA Adibi, Sara , Sha, Zhen-Dong , Branicio, Paulo S. , Joshi, Shailendra P. , Liu, Zi-Shun , Zhang, Yong-Wei . A transition from localized shear banding to homogeneous superplastic flow in nanoglass . | APPLIED PHYSICS LETTERS , 2013 , 103 (21) .
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