Related papers: Amorphous silicon under mechanical shear deformati…
Rapidly cooling a liquid may result in a glass transition, creating an amorphous solid whose shear and bulk moduli are finite. Even when done with constant density, these resulting moduli depend strongly on the rate of cooling.…
A model of soft frictionless disks in two dimensions at zero temperature is simulated with a shearing dynamics to study various kinds of asymmetries in sheared systems. We examine both single particle properties, the spatial velocity…
Large-scale molecular dynamics simulations of shear deformation under constant pressures of amorphous silicon, PT from low-density-amorphous (LDA) to high-density-amorphous (HDA) Si, and formation of shear bands (SBs) are performed using…
Molecular dynamics simulations are performed to investigate the plastic response of a model glass to a local shear transformation in a quiescent system. The deformation of the material is induced by a spherical inclusion that is gradually…
Amorphization of silicon is crucial to applications in photonics, microelectronics and solar cell technologies. Ultrafast lasers have been used to generate amorphous silicon from crystalline silicon using rapid nonthermal melting and…
The effect of periodic shear on strain localization in disordered solids is investigated using molecular dynamics simulations. We consider a binary mixture of one million atoms annealed to a low temperature with different cooling rates and…
Turbulence is crucial for protoplanetary disk dynamics, and Vertical Shear Instability (VSI) is a promising mechanism in outer disk regions to generate turbulence. We use Athena++ radiation module to study VSI in full and transition disks,…
The structural and electronic properties of amorphous silicon ($a$-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on the intrinsic structural defects. By simulated melting and…
The detailed mechanism of bonding in the cold spray process has remained elusive for both experimental and theoretical parties. Adiabatic shear instability and hydrodynamic plasticity models have been so far the most popular explanations.…
The slow flow of amorphous solids exhibits striking heterogeneities: swift localised particle rearrangements take place in the midst of a more or less homogeneously deforming medium. Recently, experimental as well as numerical work has…
We study shear yielding and steady state flow of glassy materials with molecular dynamics simulations of two standard models: amorphous polymers and bidisperse Lennard-Jones glasses. For a fixed strain rate, the maximum shear yield stress…
Avalanche behaviors, characterized by power-law statistics and structural relaxation that induces shear localization in amorphous plasticity, play an essential role in deciding the mechanical properties of amorphous metallic solids (i.e.,…
We study the effects of time-dependent substrate/film temperature in the deposition of a mesoscopically thick film using a statistical model that accounts for diffusion of adatoms without lateral neighbors whose coefficients depend on an…
Amorphous silica density at ambient pressure is known to depend on thermal history (through the quenching rate) but also, at room temperature, on the maximum pressure applied in the past. Here we show that beyond density, a mechanical…
Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…
A Molecular Dynamics approach has been used to compute the shear force resulting from the shearing of disks. Two-dimensional monodisperse disks have been put in an horizontal and rectangular shearing cell with periodic boundary conditions…
We develop an athermal version of the shear-transformation-zone (STZ) theory of amorphous plasticity in materials where thermal activation of irreversible molecular rearrangements is negligible or nonexistent. In many respects, this theory…
Several static and dynamic properties of liquid silicon near melting have been determined from an orbital free {\em ab-initio} molecular dynamics simulation. The calculated static structure is in good agreement with the available X-ray and…
We report results of molecular dynamics simulation of shock wave propagation in silicon in [100], [110], and [111] directions obtained using a classical environment-dependent interatomic potential (EDIP). Several regimes of materials…
We review the recent literature on the simulation of the structure and deformation of amorphous glasses, including oxide and metallic glasses. We consider simulations at different length and time scales. At the nanometer scale, we review…