Investigation of structural evolution in the Cu–Zr metallic glass at cryogenic temperatures by using molecular dynamics simulations

2021 ◽  
Vol 27 (10) ◽  
Author(s):  
Akash A. Deshmukh ◽  
Jatin G. Bhatt ◽  
Prashant M. Gade ◽  
Snehanshu Pal
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glass ◽  
Molecular Dynamics Simulations ◽  
Structural Evolution ◽  
Cryogenic Temperatures ◽  
Dynamics Simulations

New molecular insights into the stability of Ni–Pd hollow nanoparticles

2017 ◽  
Vol 4 (10) ◽  
pp. 1679-1690 ◽  
Author(s):  
Hamed Akbarzadeh ◽  
Esmat Mehrjouei ◽  
Amir Nasser Shamkhali ◽  
Mohsen Abbaspour ◽  
Sirous Salemi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Thermal Behavior ◽  
Molecular Dynamics Simulations ◽  
Structural Evolution ◽  
Hollow Nanoparticles ◽  
The Stability ◽  
Dynamics Simulations

Molecular dynamics simulations were used to investigate the structural evolution and thermal behavior of Ni–Pd hollow nanoparticles.

Compression-compression fatigue study on model metallic glass nanowires by molecular dynamics simulations

2011 ◽  
Vol 110 (2) ◽  
pp. 023523 ◽  
Author(s):  
Yunfeng Shi ◽  
Despina Louca ◽  
Gongyao Wang ◽  
Peter K. Liaw
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glass ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Unveiling atomic-scale features of inherent heterogeneity in metallic glass by molecular dynamics simulations

2016 ◽  
Vol 93 (21) ◽  
Author(s):  
Y. C. Hu ◽  
P. F. Guan ◽  
M. Z. Li ◽  
C. T. Liu ◽  
Y. Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glass ◽  
Molecular Dynamics Simulations ◽  
Atomic Scale ◽  
Dynamics Simulations

Experimental Studies and Molecular Dynamics Simulations of the Sliding Contact of Metallic Glass

2000 ◽  
Vol 644 ◽  
Author(s):  
Xi-Yong Fu ◽  
Michael L. Falk ◽  
David A. Rigney
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glass ◽  
Molecular Dynamics Simulations ◽  
Bulk Metallic Glass ◽  
Amorphous Material ◽  
Experimental Studies ◽  
Sliding Contact ◽  
Atomic Scale ◽  
Sliding Interface ◽  
Dynamics Simulations

AbstractTribological properties of bulk metallic glass Zr41.2Ti13.8Cu12.5Ni10.0Be22.5 were studied experimentally using a pin/disk geometry without lubrication. Experimental observations were compared with 2D molecular dynamics simulations of amorphous material in sliding contact. The friction coefficient and the wear rate of bulk metallic glass (BMG) depend on normal load and test environment. The sliding of annealed BMG re-amorphizes devitrified material. A mechanically mixed layer is generated during sliding; this layer has enhanced oxygen content if the sliding is in air. The MD simulations show that atomic scale mixing occurs across the sliding interface. The growth kinetics of the mixing process scales with the square root of time. In the simulations, a low density region is generated near the sliding interface; it corresponds spatially to the softer layer detected in experiments. Subsurface displacement profiles produced by sliding and by simulation are very similar and are consistent with the flow patterns expected from a simple Navier-Stokes analysis when the stress state involves both compression and shear.

Structural evolution of TiAl during rapid solidification processing revealed by molecular dynamics simulations

RSC Advances ◽  
2016 ◽  
Vol 6 (60) ◽  
pp. 54763-54767 ◽  
Author(s):  
Peng-tao Li ◽  
Yan-Qing Yang ◽  
Wei Zhang ◽  
Xian Luo ◽  
Na Jin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Rapid Solidification ◽  
Structural Evolution ◽  
Rapid Solidification Processing ◽  
Solidification Processing ◽  
Dynamics Simulations

In this paper, the processes of rapid solidification in TiAl was investigated by molecular dynamics simulations.

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