Related papers: Amorphous intergranular films act as ultra-efficie…
We use molecular simulations to explore how sample dimensions and interfacial properties impact some generic aspects of the mechanical and structural behavior of nanoconfined materials. Specifically, we calculate the strain-dependent…
We study the impact of a projectile onto a bed of 3 mm grains immersed in an index-matched fluid. Specifically, we vary the amount of prestrain on the sample, strengthening the force chains within the system. We find this affects only the…
Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the…
Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells containing few up to hundreds of atoms, amorphous materials…
This study uses classical molecular dynamics to simulate infinite nuclear matter and study the effect of isospin asymmetry on bulk properties such as energy per nucleon, pressure, saturation density, compressibility and symmetry energy. The…
An innovative image analysis technique is proposed to process real solar cell pictures, identify grains and grain boundaries in polycrystalline Silicon, and finally generate finite element meshes. Using a modified intrinsic cohesive zone…
We investigate the impact between the gas stream from the inner Lagrangian point and the accretion disk in interacting binaries, using three dimensional Smooth Particle Hydrodynamics simulations. We find that a significant fraction of the…
We present a multiscale simulation algorithm for amorphous materials, which we illustrate and validate in a canonical case of dense granular flow. Our algorithm is based on the recently proposed Spot Model, where particles in a dense random…
A discrete-to-continuum analysis for free-boundary problems related to crystalline films deposited on substrates is performed by $\Gamma$-convergence. The discrete model here introduced is characterized by an energy with two contributions,…
Grain boundary (GB) segregation is a powerful approach for optimizing the thermal and mechanical properties of metal alloys. In this study, we report significant GB interstitial segregation in a representative substitutional binary alloy…
Nanocrystalline materials have been proposed for use in future fusion reactors due to their high grain boundary density that may act as a sink for irradiation-induced defects. We use molecular dynamics to model collision cascades in…
The abundance of data has given machine learning considerable momentum in natural sciences and engineering, though modeling of physical processes is often difficult. A particularly tough problem is the efficient representation of geometric…
Grain boundary engineering via dopant segregation can dramatically change the properties of a material. For metallic systems, most current studies concerning interfacial segregation and subsequent transitions of grain boundary structure are…
The predictive capability of two way--coupled point-particle Euler-Lagrange model in accurately capturing particle-flow interactions under grid refinement, wherein the particle size can be comparable to the grid size, is systematically…
Recent experiments and simulations have demonstrated that particle-covered interfaces can exist in stable non-spherical shapes as a result of the steric jamming of the interfacially trapped particles, which confers the interface with…
This work presents a multiscale and multiphysics framework to investigate the radiation-induced damage in nano-crystalline materials. The framework combines two methodologies, including molecular dynamics simulations with electronic effects…
The effect of impurities on the grain boundary melting of ice is investigated through an extension of Derjaguin-Landau-Verwey-Overbeek theory, in which we include retarded potential effects in a calculation of the full frequency dependent…
Granular media (e.g., cereal grains, plastic resin pellets, and pills) are ubiquitous in robotics-integrated industries, such as agriculture, manufacturing, and pharmaceutical development. This prevalence mandates the accurate and efficient…
We use computer simulations to study highly dense systems of granular particles that are driven by oscillating forces. We implement different dissipation mechanisms that are used to extract the injected energy. In particular, the action of…
Grain boundaries (GBs) in polycrystalline materials are powerful sinks for irradiation defects. While standard theories assume that the sink efficiency of a grain boundary is defined solely by its character before irradiation, recent…