Related papers: A Simulation Method for Particle Fragmentation Bas…
A fluctuation relation, which is an extended form of the Jarzynski equality, is introduced and discussed. We show how to apply this relation in order to evaluate the free energy landscape of simple systems. These systems are manipulated by…
In this work, we analytically investigate a multi-component system for describing phase separation and damage processes in solids. The model consists of a parabolic diffusion equation of fourth order for the concentration coupled with an…
We introduce a continuum framework for the energetics of particle-size segregation in bidisperse granular flows. Building on continuum segregation equations and a recent segregation flux model, the proposed framework offers general…
The partition function with ring diagrams at finite temperature is exactly caluclated by using contour integrals in the complex energy plane. It contains a pole part with temperature and momentum dependent mass and a phase shift part…
In this chapter, we demonstrate a general formulation of the Finite Element Method allowing to calculate the diffraction efficiencies from the electromagnetic field diffracted by arbitrarily shaped gratings embedded in a multilayered stack…
The developed computational approach is capable of initiating and propagating cracks inside materials and along material interfaces of general multi-domain structures under quasi-static conditions. Special attention is paid to particular…
The effect of geometrical shape of eroding absolutely rigid particles on the threshold rate of failure has been studied. The Shtaerman-Kilchevsky theory of quasi-static blunt impact, which generalizes Hertz's classical impact theory, is…
I present empirical measurements of the rate of relaxation in N-body simulations of stable spherical systems and distinguish two separate types of relaxation: energy diffusion that is largely independent of particle mass, and energy…
We present a detailed systematical theoretical analysis of the post-growth processes occurring in nanofractals grown on surface. For this study we developed a method which accounts for the internal dynamics of particles in a fractal. We…
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 propose a method of characterizing radial networks based on a partition function associated with the structural triangulation of the network. The internal energy, Helmholtz free energy, and entropy derived from the partition function are…
Phase-field fracture models are known to overestimate the crack area, a discrepancy that compromises the accuracy of fracture predictions. This issue stems from the diffuse crack representation and numerical artifacts, such as strain…
In this paper, we study a conjugate gradient method for electronic structure calculations. We propose a Hessian based step size strategy, which together with three orthogonality approaches yields three algorithms for computing the ground…
Understanding the microstructural influence on the failure mechanisms in multi-phase materials calls for the identification of the worst-case scenario. This necessitates a statistical approach. By performing simulations directly based on…
We study the statistics of the dissipated energy in the two-dimensional random fuse model for fracture under different imposed strain conditions. By means of extensive numerical simulations we compare different ways to compute the…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…
The design of particle simulation methods for collisional plasma physics has always represented a challenge due to the unbounded total collisional cross section, which prevents a natural extension of the classical Direct Simulation Monte…
In this paper, we propose a new method for computing the stray-field and the corresponding energy for a given magnetization configuration. Our approach is based on the use of inverted finite elements and does not need any truncation. After…
J integral based criterion is widely used in elastic-plastic fracture mechanics. However, it is not rigorously applicable when plastic unloading appears during crack propagation. One difficulty is that the energy density with plastic…
Particles interacting with short-ranged potentials have attracted increasing interest, partly for their ability to model mesoscale systems such as colloids interacting via DNA or depletion. We consider the free energy landscape of such…