Formation of excess atomic volume and its role in the processes of fracture of nickel single crystal

2021 ◽  
pp. 24-29
Author(s):  
D.S. Kryzhevich ◽  
◽  
A.V. Korchuganov ◽  
K.P. Zolnikov ◽  
◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crack Propagation ◽  
Single Crystal ◽  
High Speed ◽  
Room Temperature ◽  
Atomic Volume ◽  
Dynamics Simulation ◽  
Crack Propagation Velocity ◽  
Nickel Single Crystal

Molecular dynamics simulation of crack propagation peculiarities in a nickel single crystal under uniaxial tension along the cubic direction was carried out. It was found that at room temperature regions with excess atomic volume are formed near the tips of the opening crack. Subsequently nanopores are formed in these areas which then merge with the crack stimulating high-speed opening. It is shown that if dislocations begin to form at the crack tip in a region with an increased atomic volume the crack propagation velocity in this direction significantly decreases.

Molecular dynamics simulation of crack propagation behaviors at the Ni/Ni3Al grain boundary

RSC Advances ◽  
2014 ◽  
Vol 4 (62) ◽  
pp. 32749 ◽  
Author(s):  
Jingui Yu ◽  
Qiaoxin Zhang ◽  
Rong Liu ◽  
Zhufeng Yue ◽  
Mingkai Tang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Grain Boundary ◽  
Crack Propagation ◽  
Dynamics Simulation

Crack propagation behaviors at Cu/SiC interface by molecular dynamics simulation

2014 ◽  
Vol 82 ◽  
pp. 17-25 ◽  
Author(s):  
Zhenyu Yang ◽  
Yanguang Zhou ◽  
Tao Wang ◽  
Qiang Liu ◽  
Zixing Lu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crack Propagation ◽  
Dynamics Simulation

Molecular Dynamics Simulation of Sputtering with Mmany-Body Interactions

1988 ◽  
Vol 100 ◽  
Author(s):  
Davy Y. Lo ◽  
Tom A. Tombrello ◽  
Mark H. Shapiro ◽  
Don E. Harrison
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Single Crystal ◽  
Low Energy ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Many Body ◽  
Embedded Atom ◽  
Dynamics Simulations ◽  
Small Single Crystal

ABSTRACTMany-body forces obtained by the Embedded-Atom Method (EAM) [41 are incorporated into the description of low energy collisions and surface ejection processes in molecular dynamics simulations of sputtering from metal targets. Bombardments of small, single crystal Cu targets (400–500 atoms) in three different orientations ({100}, {110}, {111}) by 5 keV Ar+ ions have been simulated. The results are compared to simulations using purely pair-wise additive interactions. Significant differences in the spectra of ejected atoms are found.

scholarly journals Molecular dynamics simulation of high-speed loading of 2D boron nitride

2021 ◽  
Vol 11 (1) ◽  
pp. 79-83
Author(s):  
Igor Shepelev ◽  
Sergey Dmitriev ◽  
Elena Korznikova
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Boron Nitride ◽  
High Speed ◽  
Dynamics Simulation
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