scholarly journals Molecular dynamics simulation of effect of temperature on void nucleation and growth of single crystal iron at a high strain rate

2019 ◽  
Vol 68 (24) ◽  
pp. 246102
Author(s):  
Yun-Tian Wang ◽  
Xiang-Guo Zeng ◽  
Xin Yang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
High Strain Rate ◽  
Strain Rate ◽  
Single Crystal ◽  
High Strain ◽  
Void Nucleation ◽  
Nucleation And Growth ◽  
Dynamics Simulation ◽  
Effect Of Temperature

A Molecular Dynamics Simulation of High Strain-rate Deformation in Nanocrystalline Silicon Carbide

2007 ◽  
Vol 1021 ◽  
Author(s):  
Yifei Mo ◽  
Izabela Szlufarska
Keyword(s):  
Molecular Dynamics ◽  
High Strain Rate ◽  
Strain Rate ◽  
Grain Boundaries ◽  
High Strain ◽  
Nanocrystalline Silicon ◽  
Dynamics Simulation ◽  
Atomic Diffusion ◽  
Effect Of Temperature ◽  
Nanocrystalline Silicon Carbide

AbstractMulti-million atom molecular dynamics simulations of tensile testing have been performed on nc-SiC. Reduction of grain size promotes simultaneous enhancement of ductility, toughness, and strength. Simulations show that the nc-SiC fails by intergranular fracture preceded by atomic level necking. Atomic diffusion can prevent premature cavitation and failure, and therefore it sets an upper limit on high strain-rate deformations of ceramics. We report a non-diffusional mechanism for suppressing premature cavitation, which is based on unconstrained plastic flow at grain boundaries. In addition, based on the composite's rule of mixture, we estimate Young's modulus of random high-angle grain boundaries in nc-SiC to be about 130 GPa. The effect of temperature and strain rate on mechanical properties is studied.

Molecular Dynamics Simulations of the Shear Bands Formation of Single Crystal Bulk Copper during the High Strain Rate Compressive Process

2018 ◽  
Vol 934 ◽  
pp. 30-34
Author(s):  
Yuan Ching Lin ◽  
Chung Jun Shen
Keyword(s):  
Molecular Dynamics ◽  
High Strain Rate ◽  
Strain Rate ◽  
Single Crystal ◽  
High Strain ◽  
Shear Bands ◽  
Md Simulations ◽  
Localized Deformation ◽  
Narrow Region ◽  
Crystal Bulk

In this work, the high strain rate compressive process of single crystal bulk copper was studied by molecular dynamics (MD) simulations. The simulated result indicated that the localized deformation caused the formation of shear bands (SBs). It was found that the formation of shear bands in single crystal was owing to a plenty of the plastic deformations that caused by dislocations slippage or twinning concentrated in a narrow region [1], and the temperature at the shear bands region was rising more quickly than the others.

The Study on Young's Modulus of Multilayered Cu/Ni Multilayered Nano Thin Films by Molecular Dynamics Simulation

2014 ◽  
Vol 513-517 ◽  
pp. 113-116
Author(s):  
Jen Ching Huang ◽  
Fu Jen Cheng ◽  
Chun Song Yang
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Young’S Modulus ◽  
Potential Function ◽  
Dynamics Simulation ◽  
System Temperature ◽  
Simulation Results

The Youngs modulus of multilayered nanothin films is an important property. This paper focused to investigate the Youngs Modulus of Multilayered Ni/Cu Multilayered nanoThin Films under different condition by Molecular Dynamics Simulation. The NVT ensemble and COMPASS potential function were employed in the simulation. The multilayered nanothin film contained the Ni and Cu thin films in sequence. From simulation results, it is found that the Youngs modulus of Cu/Ni multilayered nanothin film is different at different lattice orientations, temperatures and strain rate. After experiments, it can be found that the Youngs modulus of multilayered nanothin film in the plane (100) is highest. As thickness of the thin film and system temperature rises, Youngs modulus of multilayered nanothin film is reduced instead. And, the strain rate increases, the Youngs modulus of Cu/Ni multilayered nanothin film will also increase.

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