Deformation behavior of an amorphous Cu64.5Zr35.5 alloy: A combined computer simulation and experimental study

Mendelev, Mikhail I.; Ott, Ryan T.; Heggen, Marc; Feuerebacher, M.; Kramer, Matt; Sordelet, D. J.

doi:10.1063/1.3043587

Cited by 25 publications

(9 citation statements)

References 37 publications

(44 reference statements)

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“…Glass transition occurs when G decreases to 85% of the shear modulus at 0 K, that is, G (T g ) =0.85 G (0 K) [15]. Mendelev et al [18] showed that G does not decrease to zero in a flash, but has a quick reduced transition region. Moreover, this region does not crystallize.…”

Section: Discussionmentioning

confidence: 98%

Hardness and free volume distributions of Zr-based alloys spot treated by laser beam

Zhao

Wang

et al. 2012

Journal of Non-Crystalline Solids

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Section: Discussionmentioning

confidence: 98%

Hardness and free volume distributions of Zr-based alloys spot treated by laser beam

Zhao

Wang

et al. 2012

Journal of Non-Crystalline Solids

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“…To reduce these effects, we utilized a biaxial deformation geometry in this work. The deformation was carried out at T=300 K. A compressive strain in the x-and y-directions was applied at a constant strain rate of 2.0×10 7 s -1 , which is typical order of magnitude used in MD simulations [25,26,41]. The model was deformed until the final strain of ε xx =ε yy = -0.2 (ε zz ≈0.53).…”

Section: B Details Of Deformationmentioning

confidence: 99%

Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

et al. 2014

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Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium range order (MRO), remains difficult to describe. Specifically lacking is our understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this study, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed Cu 64.5 Zr 35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. Cluster alignment method was employed to characterize the icosahedral short range order (ISRO) and Bergman type medium range order (BMRO) in the models upon loading and unloading. From this analysis, we find the disruption of both ISRO and BMRO occurs as the strain reaches about 0.02, well below the elastic limit. Within the elastic limit, the total fractions of ISRO or BMRO can be fully recovered upon unloading. The diffusivity increases 6-8 times in regions undergoing plastic deformation, which is due to the dramatic disruption of the ISRO and BMRO. By mapping the spatial distributions of the mobile atoms, we demonstrate the increase in atomic mobility is due to the extended regions of disrupted ISRO and more importantly BMRO.

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“…MD simulation was performed with the LAMMPS package [19] for Cu 50 Zr 50 metallic glass with a realistic embeddedatom method potential [20]. The sample containing 96 000 atoms in a cuboid with period boundary conditions (PBCs) was first fully equilibrated at 2000 K for 1 ns, then quenched down to 50 K with the cooling rate of 1 K/ps in isothermal-isobaric (N -P -T ) ensemble.…”

Section: Model and Methodsmentioning

confidence: 99%

Evolution of atomic rearrangements in deformation in metallic glasses

Shang

Yao

et al. 2014

Phys. Rev. E

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Atomic rearrangements induced by shear stress are fundamental for understanding deformation mechanisms in metallic glasses (MGs). Using molecular dynamic simulation, the atomic rearrangements characterized by nonaffine displacements (NADs) and their spatial distribution and evolution with tensile stress in Cu 50 Zr 50 MG were investigated. It was found that in the elastic regime the atomic rearrangements with the largest NADs are relatively homogeneous in space, but exhibit strong spatial correlation, become localized and inhomogeneous, and form large clusters as strain increases, which may facilitate the so-called shear transformation zones. Furthermore, initially they prefer to take place around Cu atoms which have more nonicosahedral configurations. As strain increases, the preference decays and disappears in the plastic regime. The atomic rearrangements with the smallest NADs are preferentially located around Cu atoms, too, but with more icosahedral or icosahedral-like atomic configurations. The preference is maintained in the whole deformation process. In contrast, the atomic rearrangements with moderate NADs distribute homogeneously, and do not show explicit preference or spatial correlation, acting as matrix during deformation. Among the atomic rearrangements with different NADs, those with largest and smallest NADs are nearest neighbors initially, but separating with increasing strain, while those with largest and moderate NADs always avoid to each other. The correlations in the fluctuations of the NADs confirm the long-range strain correlation and the scale-free characteristic of NADs in both elastic and plastic deformation, which suggests a universality of the scaling in the plastic flow in MGs.

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Deformation behavior of an amorphous Cu64.5Zr35.5 alloy: A combined computer simulation and experimental study

Cited by 25 publications

References 37 publications

Hardness and free volume distributions of Zr-based alloys spot treated by laser beam

Hardness and free volume distributions of Zr-based alloys spot treated by laser beam

Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

Evolution of atomic rearrangements in deformation in metallic glasses

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