The nature of the atomic-level structure in the Cu–Zr binary metallic glasses

2012 ◽  
Vol 26 ◽  
pp. 8-10 ◽  
Author(s):  
Z.D. Sha ◽  
H. Pan ◽  
Q.X. Pei ◽  
Y.W. Zhang
Keyword(s):  
Metallic Glasses ◽  
Level Structure ◽  
Atomic Level ◽  
Binary Metallic Glasses

scholarly journals Signature of local stress states in the deformation behavior of metallic glasses

2020 ◽  
Vol 12 (1) ◽  
Author(s):  
Xilei Bian ◽  
Daniel Şopu ◽  
Gang Wang ◽  
Baoan Sun ◽  
Jozef Bednarčik ◽  
...  
Keyword(s):  
Shear Band ◽  
Metallic Glasses ◽  
Level Structure ◽  
Local Stress ◽  
Atomic Level ◽  
Range Order ◽  
Atomic Scale ◽  
Activation Process ◽  
Eshelby Inclusion ◽  
Stress States

Abstract The design of ductile heterogeneous metallic glasses (MGs) with enhanced deformability by purposely controlling the shear-band dynamics via modulation of the atomic-scale structures and local stress states remains a significant challenge. Here, we correlate the changes in the local atomic structure when cooling to cryogenic temperature with the observed improved shear stability. The enhanced atomic-level structural and elastic heterogeneities related to the nonaffine thermal contraction of the short-range order (SRO) and medium-range order (MRO) change the characteristics of the activation process of the shear transformation zones (STZs). The experimental observations corroborated by Eshelby inclusion analysis and molecular dynamics simulations disclose the correlation between the structural fluctuations and the change in the stress field around the STZ. The variations in the inclination axes of the STZs alter their percolation mechanism, affect the shear-band dynamics and kinetics, and consequently delay shear failure. These results expand the understanding of the correlation between the atomic-level structure and elementary plastic events in monolithic MGs and thereby pave the way for the design of new ductile metallic alloys.

scholarly journals Atomistic design favored compositions and atomic-level structure of Mg–Ca–Ag ternary metallic glasses

AIP Advances ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 075025 ◽  
Author(s):  
Fengjiao Chen ◽  
Songqi Cheng ◽  
Jian-bo Liu ◽  
Jiahao Li ◽  
Shuai Zhao ◽  
...  
Keyword(s):  
Metallic Glasses ◽  
Level Structure ◽  
Atomic Level

Neutron Diffraction Study on the Structure of the Metallic Glass Cu57Zr43

1983 ◽  
Vol 38 (11) ◽  
pp. 1210-1222 ◽  
Author(s):  
P. Lamparter ◽  
S. Steeb ◽  
E. Grallath
Keyword(s):  
Neutron Diffraction ◽  
Metallic Glasses ◽  
Neutron Diffraction Study ◽  
Isotopic Substitution ◽  
Substitution Method ◽  
Chemical Ordering ◽  
Structure Factors ◽  
Theoretical Investigations ◽  
Binary Metallic Glasses ◽  
Scattering Contribution

The structure of amorphous Cu57Zr43 has been investigated by neutron diffraction using the isotopic substitution method with the isotopes 63Cu and 65Cu besides natural Cu. From the scattering contribution of concentration fluctuations to the measured structure factors and from the atomic distances chemical ordering is concluded to exist in amorphous Cu57Zr43. The structural results are compared with previous experimental and theoretical investigations of Cu- Zr- and other binary metallic glasses formed by transition metals. Evidence is given that the topological as well as the chemical short range order is asymmetric in respect to both components in this type of metallic glasses

Hydrogen Storage in MgH2 Matrices: An Ab-Initio Study of Mg-MgH2 Interface

2008 ◽  
Vol 139 ◽  
pp. 23-28 ◽  
Author(s):  
Simone Giusepponi ◽  
Massimo Celino ◽  
Fabrizio Cleri ◽  
Amelia Montone
Keyword(s):  
Molecular Dynamics ◽  
Total Energy ◽  
Ab Initio ◽  
Atomic Hydrogen ◽  
Level Structure ◽  
Atomic Level ◽  
Work Of Adhesion ◽  
Ab Initio Study ◽  
Dynamics Method ◽  
Good Agreement

We studied the atomic-level structure of a model Mg-MgH2 interface by means of the Car-Parrinello molecular dynamics method (CPMD). The interface was characterized in terms of total energy calculations, and an estimate of the work of adhesion was given, in good agreement with experimental results on similar systems. Furthermore, the interface was studied in a range of temperatures of interest for the desorption of hydrogen. We determined the diffusivity of atomic hydrogen as a function of the temperature, and give an estimate of the desorption temperature.

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