相关论文: Comments on the elastic properties in solid soluti…
We perform Discrete Element Method simulations of wet granular matter in a split-bottom shear cell. To calculate the capillary forces from the liquid bridges between the grains, we used three different approximations. The simulations of the…
Localized basis ab initio molecular dynamics simulation within the density functional framework has been used to generate realistic configurations of amorphous silicon carbide (a-SiC). Our approach consists of constructing a set of smart…
We consider the geometry relaxation of an isolated point defect embedded in a homogeneous crystalline solid, within an atomistic description. We prove a sharp convergence rate for a periodic supercell approximation with respect to uniform…
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,…
We consider mixed finite element methods with exact symmetric stress tensors. We derive a new quasi-optimal a priori error estimate uniformly valid with respect to the compressibility. For the a posteriori error analysis we consider the…
Recently the hierarchical defect substructures were observed experimentally in several metals and alloys before and after fracture. The general models of crystal defect aggregation with appearance hierarchical defect substructures are…
Many suspensions contain particles with complex shapes that are affected not only by hydrodynamics, but also by thermal fluctuations, internal kinematic constraints and other long-range non-hydrodynamic interactions. Modeling these systems…
The coefficients of different combinations of terms of the liquid drop model have been determined by a least square fitting procedure to the experimental atomic masses. The nuclear masses can also be reproduced using a Coulomb radius taking…
The prediction of the effective elastic properties of polymer bonded explosives using direct numerical simulations is computationally expensive because of the high volume fraction of particles in these particulate composites ($\sim$0.90)…
We use replica exchange Monte-Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte-Carlo simulations do not easily…
We summarize our recent results that model the formation of uniform spherical silver colloids prepared by mixing iso-ascorbic acid and silver-amine complex solutions in the absence of dispersants. We found that the experimental results can…
One of the essential questions in the area of granular matter is, how to obtain macroscopic tensorial quantities like stress and strain from ``microscopic'' quantities like the contact forces in a granular assembly. Different averaging…
The equilibrium properties of ionic microgels are investigated using a combination of the Poisson-Boltzmann and Flory theories. Swelling behavior, density profiles, and effective charges are all calculated in a self-consistent way. Special…
The impact of confinement on self-assembly of particles interacting with short-range attraction and long-range repulsion (SALR) potential is studied for thermodynamic states corresponding to local ordering of clusters or layers in the bulk.…
We use a continuous mesoscopic model to address the yielding properties of plastic composites, formed by a host material and inclusions with different elastic and/or plastic properties. We investigate the flow properties of the composed…
Recent studies on confined crystals of charged colloidal particles are reviewed, both in equilibrium and out of equilibrium. We focus in particular on direct comparisons of experiments (light scattering and microscopy) with lattice sum…
This paper presents a large-scale $ab$ $initio$ simulation study of amorphous silicon hydride ($a$-Si$_{\text{1-x}}$H$_{\text{x}}$) with an emphasis on the structure and properties of the material across a range of hydrogen concentration by…
A new method is proposed for the analysis of specular and off-specular reflectivity from supported lipid bilayers. Both thermal fluctuations and the "static" roughness induced by the substrate are carefully taken into account. Examples from…
This paper is concerned with the analysis and implementation of robust finite element approximation methods for mixed formulations of linear elasticity problems where the elastic solid is almost incompressible. Several novel a posteriori…
A model of diluted random field sustained by quenched volume deformations is shown to reproduce puzzling physical features found in X(CN)_{x}Y_{1-x} mixed cyanide crystals. X is an alkali metal (K, Na or Rb) and Y is a spherical halogen ion…