Related papers: Damage nucleation from repeated dislocation absorp…
We study the fragmentation (far forward/backward) region of heavy ion collisions by considering an at-rest nucleus which is struck by a relativistic sheet of colored glass. By means of a simple classical model, we calculate the subsequent…
We use our recently proposed accelerated dynamics algorithm (Tiwary & van de Walle, 2011) to calculate temperature and stress dependence of activation free energy for surface nucleation of dislocations in pristine Gold nanopillars under…
A theoretical analysis using an impact-parameter description of the collisions of deuterons with nuclei is carried out in the high-energy diffraction approximation. It is used to obtain the intensities and integrated cross sections for…
We investigate a model which couples diffusional melting and nanoscale structural forces via a combined nano-mesoscale description. Specifically, we obtain analytic and numerical solutions for melting processes at grain boundaries…
Characterizing microstructural effects on the dynamical response of materials is challenging due to the extreme conditions and the short timescales involved. For example, little is known about how grain boundary characteristics affect spall…
We present several numerical results on granular mixtures. In particular, we examine the efficiency of diffusion as a mixing mechanism in these systems. The collisions are inelastic and to compensate the energy loss, we thermalize the…
We propose a method for the simulation of particle fragmentation based on the calculation of the energy landscape inside the particle. The landscape of strain energy is calculated in terms of internal stress using the principles of damage…
The present work investigates the role of grain boundary (GB) on the sources of size effects. Up to now, several studies have been conducted to address the role of GBs in size effects from the atomistic point of view. However, a study which…
Kinetics of dislocations is studied by means of computer simulation during intensive plastic deformation. The dynamical effect in the form of soliton-like wave of sharply disrupted interparticle bonds is observed. Along with it, micropores…
Most technologically useful materials are polycrystalline microstructures composed of a myriad of small monocrystalline grains separated by grain boundaries. The energetics and connectivities of grain boundaries play a crucial role in…
We use experiments and molecular dynamics simulations of vertically oscillated granular layers to study horizontal particle segregation induced by a kink (a boundary between domains oscillating out of phase). Counter-rotating convection…
The interaction between cracks, as well as their propagation, in single-crystal aluminum is investigated at the atomic scale using the molecular dynamics method and the modified embedded atom method. The results demonstrated that the crack…
Semi-empirical molecular dynamics is used to simulate hydrocarbon grain sputtering and collisions which are extremely difficult to study experimentally. This microscopic and dynamic approach is particularly suited to high velocity impacts,…
The local and global dynamics of a sheared granular medium are studied in a model experiment as a function of several macroscopic parameters. We observe that by changing the shear rate or the loading stiffness, the system crackles, with…
We explore the potential of the deep Ritz method to learn complex fracture processes such as quasistatic crack nucleation, propagation, kinking, branching, and coalescence within the unified variational framework of phase-field modeling of…
In polycrystalline materials, grain boundaries are sites of enhanced atomic motion, but the complexity of the atomic structures within a grain boundary network makes it difficult to link the structure and atomic dynamics. Here we use a…
In this work, we investigate the shape evolution of rotated, embedded, initially cylindrical grains (with [001] cylinder axis) in Ni under an applied synthetic driving force via molecular dynamics simulations and a continuum,…
The aim of this paper is to propose a novel methodology to deal with micro-structural boundary conditions for the analysis of granular materials. The response of the granular assembly is modelled through the discrete element method (DEM),…
We discuss the structure of the equation of motion that governs nucleation processes at first order phase transitions. From the underlying microscopic dynamics of a nucleating system, we derive by means of a non-equilibrium projection…
Strain hardening is a key feature observed in many rocks deformed in the so-called ``semi-brittle'' regime, where both crystal plastic and brittle deformation mechanisms operate. Dislocation storage has long been recognised as a major…