Related papers: Dynamic formation of spherical voids crossing line…
An in-situ neutron diffraction investigation of the annealing and healing of dislocations in the bulk Pd-D2 system was carried out. Lattice misfit between the alpha and beta hydride phases produces dislocations during the phase transition…
A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain…
In a fusion or advanced fission reactor, high energy neutrons induce the formation of extended defect clusters in structural component materials, degrading their properties over time. Such damage can be partially recovered via a thermal…
Pore-scale simulations accurately describe transport properties of fluids in the subsurface. These simulations enhance our understanding of applications such as assessing hydrogen storage efficiency and forecasting CO$_2$ sequestration…
We present a dynamic model to study ordering of particles on arbitrary curved surfaces. Thereby the particles are represented as maxima in a density field and a surface partial differential equation for the density field is solved to the…
We develop the scaled particle theory to describe the thermodynamic properties and orientation ordering of a binary mixture of hard spheres (HS) and hard spherocylinders (HSC) confined in a disordered porous medium. Using this theory the…
We present a variational theory for lattice defects of rotational and translational type. We focus on finite systems of planar wedge disclinations, disclination dipoles, and edge dislocations, which we model as the solutions to minimum…
Topological materials occupy the central stage in the modern condensed matter physics because of their robust metallic edge or surface states protected by the topological invariant, characterizing the electronic band structure in the bulk.…
A study is presented of the structural changes occurring as a function of the annealing conditions in hydrogenated amorphous Si/Ge multilayers prepared by sputtering. Annealing changes the structure of the as-deposited multilayer except for…
We study a thin film growth model with temperature activated diffusion of adsorbed particles, allowing for the formation of overhangs and pores, but without detachment of adatoms or clusters from the deposit. Simulations in one-dimensional…
Dynamic mode decomposition method is deployed to investigate the heat transfer mechanism in a compressible turbulent shear layer and shockwave. To this end, highly resolved Large Eddy Simulations are performed to explore the effect of wall…
To develop a dislocation-based statistical continuum theory of crystal plasticity is a major challenge of materials science.During the last two decades such a theory has been developed for the time evolution of a system of parallel edge…
Climate change, amplified in the far north, has led to rapid sea ice decline in recent years. In the summer, melt ponds form on the surface of Arctic sea ice, significantly lowering the ice reflectivity (albedo) and thereby accelerating ice…
We study a reaction-diffusion model posed on two distinct spatial scales that accounts for diffusion, aggregation, fragmentation, and deposition of populations of colloidal particles within a porous material. In this model, the macroscopic…
Starting from an ideal crystalline state, we numerically study a nonequilibrium dynamical order- disorder transition promoted by the application of a periodic shearing protocol at low temperatures in model systems in two and three…
Molecular dynamics simulations on a three dimensional defective Lennard-Jones solid containing a void are performed in order to investigate detailed properties of hot spot generation. In addition to the temperature, I monitor the number of…
We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…
We use a new variant of Molecular Static method for simulation of the atomic structure near nanovoids. In our model an iterative procedure is employed, in which the atomic structure in the void vicinity and the parameter determining the…
The interaction between edge dislocations and Guinier-Preston zones in an Al-Cu alloy was analyzed by means of atomistic simulations. The different thermodynamic functions that determine the features of these obstacles for the dislocation…
To understand how dislocations form ordered structures during the deformation of metals, we perform computer simulation studies of the dynamics and patterning of screw dislocations in two dimensions. The simulation is carried out using an…