Related papers: A discrete nonlinear mass transfer equation with a…
Rock weathering is a common phenomenon in most engineering applications, such as underground storage or geothermal energy. This work offers a discrete element modelization of the problem considering cohesive granular material and debonding…
The time evolution and spatial correlations of nonaffine displacements in deformed amorphous solids are investigated using molecular dynamics simulations. The three-dimensional model glass is represented via the binary mixture, which is…
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…
Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…
A curve shortening equation related to the evolution of grain boundaries is presented. This equation is derived from the grain boundary energy by applying the maximum dissipation principle. Gradient estimates and large time asymptotic…
We study wave propagation in strongly nonlinear 1D diatomic granular crystals under an impact load. Depending on the mass ratio of the `light' to `heavy' beads, this system exhibits rich wave dynamics from highly localized traveling waves…
We investigate mathematical properties of the system of nonlinear partial differential equations that describe, under certain simplifying assumptions, evolutionary processes in water-saturated granular materials. The unconsolidated solid…
The anisotropy of wood within the radial-tangential (RT) growth plane has a major influence on the cracking behavior perpendicular to grain. Within the scope of this work, a two-dimensional discrete element model is developed, consisting of…
We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…
Numerical computation of the time evolution of the mass transfer rate in a close binary can be and, in particular, has been a computational challenge. Using a simple physical model to calculate the mass transfer rate, we show that for a…
Mixing grains with different properties is a remarkably challenging process, relevant to many industrial applications. Rotating drums have been used extensively as model systems to study granular media flow and mixing and segregation.…
We investigate proteins within heterogeneous cell membranes where non-equilibrium phenomena arises from spatial variations in concentration and temperature. We develop simulation methods building on non-equilibrium statistical mechanics to…
The evolution of two grains, which lie on a substrate and are in contact with each other, can be roughly described by a model in which the exterior surfaces of the grains evolve by surface diffusion and the grain boundary, namely the…
We develop an irreversible thermodynamics framework for the description of creep deformation in crystalline solids by mechanisms that involve vacancy diffusion and lattice site generation and annihilation. The material undergoing the creep…
The dynamical properties of a dense horizontally vibrated bidisperse granular monolayer are experimentally investigated. The quench protocol produces states with a frozen structure of the assembly, but the remaining degrees of freedom…
The grain size distribution (GSD) plays an important role in the mechanical properties of amorphous disordered systems and complex granular materials. Varying GSD causes segregation issues and alters critical behaviors. This work used the…
We investigate the depinning transition occurring in dislocation assemblies. In particular, we consider the cases of regularly spaced pileups and low angle grain boundaries interacting with a disordered stress landscape provided by solute…
Molecular dynamics simulations are used to study the mechanism and kinetics of hydrated electron diffusion. The electron center of mass is found to exhibit Brownian-type behavior with a diffusion coefficient considerably greater than that…
The growth of crystal surfaces, under non-equilibrium conditions, involves the displacement of mono-atomic steps by atom diffusion and atom incorporations into steps. The time-evolution of the growing crystal surface is thus governed by a…
The rate of diffusion of a Cu adatom on the Cu(100) surface is calculated using thermodynamic integration within the transition state theory. The results are found to be in excellent agreement with the essentially exact values from…