Mechanical Behavior of Polycrystalline Aluminum under Penetration with Extremely Large Loading Rates via Molecular Dynamics Simulation

2014 ◽  
Vol 566 ◽  
pp. 167-172 ◽  
Author(s):  
Chun Yi Wu ◽  
Yun Che Wang

In this study, polycrystalline aluminum nanoscale thin sheets are constructed by sputter deposition simulations with the molecular dynamics (MD) simulation. Subsequently, the penetration problem of a conical rigid projectile moving through the aluminum thin sheet is simulated by the MD technique. The MD simulations adopted the interatomic potential of a tight-binding type. During the deposition simulation, in order to include the ion-ion interactions, the pair-wise Moliere potential was adopted to model the interaction between working gas argon and deposited atoms. The as-deposited films did not show clear grain boundaries, but after thermal annealing, grains grow and form nanocrystalline structure with a grain size of 8 nm. The thin sheets consisted of the face-centered cubic phases of crystal unit cells, separated by grain boundaries. For the penetration simulations, four velocities were chosen 102, 103, 104 and 105 m/s. The first two velocities are called high velocity case and the rest two velocities are the hypervelocity case. Our results show that, as the penetration rate increases, more stresses are required to move the projectile through the Al film due to temperature effects from the high velocity to hypervelocity case. In addition, defects, such as dislocations, increase during the projectile penetration. In the high velocity case, the penetrated hole in the film may be recovered, but not in the hypervelocity case. The temperature difference increased in the hypervelocity case is significantly than that in the high velocity case.

2016 ◽  
Vol 258 ◽  
pp. 277-280 ◽  
Author(s):  
Mohamed Mahmud Aish ◽  
Mikhail D. Starostenkov

A many-body interatomic potential for metallic nanowires within the second-moment approximation of the tight-binding model (the Cleri-Rosato potential) was employed to carry out three dimensional molecular dynamics simulations. Molecular dynamics simulation results for metallic nanowires at various temperature are presented. The stress–time and stress length curves for nanowires are simulated. The breaking and yield stress of nanowires are dependent on the Volume and temperature. The necking, Plastic deformation, slipping domain, twins, clusters, microspores and break-up phenomena of nanowire are demonstrated. Stress decreases with increasing nanowire volume and temperature. The final breaking position occurs at the central part of the nanowire when it is short, as the nanowire length increases the breaking position gradually shifts to the ends.


1999 ◽  
Vol 593 ◽  
Author(s):  
Michael Sternberg ◽  
Peter Zapoll ◽  
Thomas Frauenheim ◽  
Dieter M. Gruen ◽  
Larry A. Curtiss

ABSTRACTNanocrystalline diamond films grown on Si substrates at 800°C from hydrogen-poorplasmas have a number of highly desirable mechanical and electronic properties. Impurities were found by SIMS measurements to be uniformly distributed throughout the thickness of the films at a level of 1017–1018 cm−3. It is likely that the impurities are located at the grain boundaries, which play a crucial role in controlling important characteristics of the films, such as electrical conductivity and electron emission. Density-functional based tight-binding (DFTB) molecular dynamics simulations were performed for diamond high-energy high-angle (100) twist grain boundaries with impurities such as N, Si and H


2008 ◽  
Vol 32 ◽  
pp. 255-258
Author(s):  
Bohayra Mortazavi ◽  
Akbar Afaghi Khatibi

Molecular Dynamics (MD) are now having orthodox means for simulation of matter in nano-scale. It can be regarded as an accurate alternative for experimental work in nano-science. In this paper, Molecular Dynamics simulation of uniaxial tension of some face centered cubic (FCC) metals (namely Au, Ag, Cu and Ni) at nano-level have been carried out. Sutton-Chen potential functions and velocity Verlet formulation of Noise-Hoover dynamic as well as periodic boundary conditions were applied. MD simulations at different loading rates and temperatures were conducted, and it was concluded that by increasing the temperature, maximum engineering stress decreases while engineering strain at failure is increasing. On the other hand, by increasing the loading rate both maximum engineering stress and strain at failure are increasing.


2002 ◽  
Vol 124 (3) ◽  
pp. 329-334 ◽  
Author(s):  
B. D. Wirth ◽  
V. V. Bulatov ◽  
T. Diaz de la Rubia

In copper and other face centered cubic metals, high-energy particle irradiation produces hardening and shear localization. Post-irradiation microstructural examination in Cu reveals that irradiation has produced a high number density of nanometer sized stacking fault tetrahedra. The resultant irradiation hardening and shear localization is commonly attributed to the interaction between stacking fault tetrahedra and mobile dislocations, although the mechanism of this interaction is unknown. In this work, we present results from a molecular dynamics simulation study to characterize the motion and velocity of edge dislocations at high strain rate and the interaction and fate of the moving edge dislocation with stacking fault tetrahedra in Cu using an EAM interatomic potential. The results show that a perfect SFT acts as a hard obstacle for dislocation motion and, although the SFT is sheared by the dislocation passage, it remains largely intact. However, our simulations show that an overlapping, truncated SFT is absorbed by the passage of an edge dislocation, resulting in dislocation climb and the formation of a pair of less mobile super-jogs on the dislocation.


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