scholarly journals Molecular dynamics simulation of high strain-rate void nucleation and growth in copper

1998 ◽  
Author(s):  
James Belak
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
High Strain Rate ◽  
Strain Rate ◽  
High Strain ◽  
Void Nucleation ◽  
Nucleation And Growth ◽  
Dynamics Simulation ◽  
Void Nucleation And Growth

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.

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.

scholarly journals Carbon Nanotube Peapods Under High-Strain Rate Conditions: A Molecular Dynamics Investigation

MRS Advances ◽  
2020 ◽  
Vol 5 (33-34) ◽  
pp. 1723-1730
Author(s):  
J. M. De Sousa ◽  
C. F. Woellner ◽  
L. D. Machado ◽  
P. A. S. Autreto ◽  
D. S. Galvao
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
High Strain Rate ◽  
Strain Rate ◽  
High Strain ◽  
Optical Modulation ◽  
Carbon Structures ◽  
Dynamics Simulations ◽  
Forms Of Carbon ◽  
The Impact

ABSTRACTNew forms of carbon-based materials have received great attention, and the developed materials have found many applications in nanotechnology. Interesting novel carbon structures include the carbon peapods, which are comprised of fullerenes encapsulated within carbon nanotubes. Peapod-like nanostructures have been successfully synthesized, and have been used in optical modulation devices, transistors, solar cells, and in other devices. However, the mechanical properties of these structures are not completely elucidated. In this work, we investigated, using fully atomistic molecular dynamics simulations, the deformation of carbon peapods under high-strain rate conditions, which are achieved by shooting the peapods at ultrasonic velocities against a rigid substrate. Our results show that carbon peapods experience large deformation at impact, and undergo multiple fracture pathways, depending primarily on the relative orientation between the peapod and the substrate, and the impact velocity. Observed outcomes include fullerene ejection, carbon nanotube fracture, fullerene, and nanotube coalescence, as well as the formation of amorphous carbon structures.

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