Related papers: Predicting dislocation climb: Classical modeling v…
A detailed description of the statistical distribution of thermal vacancies near the melting point is presented, using copper as an example. As the temperature is increased, the average number of thermal vacancies generated by atoms…
We demonstrate exciting similarities between classical and quantum many body systems whose microscopic dynamics are composed of non-reciprocal three-site facilitated exclusion processes. We show that the quantum analogue of the classical…
We simulate structure in the vicinity of different size nanovoids using a new variant of the Molecular Statics, wherein atomic structure in the vicinity of nanovoids and the parameters that define the displacements of atoms placed in…
We provide a detailed comparison between the dynamics of high-temperature spatiotemporal correlation functions in quantum and classical spin models. In the quantum case, our large-scale numerics are based on the concept of quantum…
Dislocations are the main carriers of the permanent deformation of crystals. For simulations of engineering applications, continuum models where material microstructures are represented by continuous density distributions of dislocations…
We study the relaxation times for a parabolic differential equation whose solution represents the atom dislocation in a crystal. The equation that we consider comprises the classical Peierls-Nabarro model as a particular case, and it allows…
We use analytic estimates and numerical simulations to explore the stochastic approach to vacuum decay. According to this approach, the time derivative of a scalar field, which is in a local vacuum state, develops a large fluctuation and…
Post-exponential decay of the probability density of a quantum particle leaving a trap can be reproduced accurately, except for interference oscillations at the transition to the post-exponential regime, by means of an ensemble of classical…
We use a simple, collision-based, discrete, random abrasion model to compute the profiles for the stoss faces in a bedrock abrasion process. The model is the discrete equivalent of the generalized version of a classical, collision based…
Nanoscopic diffusion at surfaces normally takes place when an adsorbate jumps from one adsorption site to the other. Jump diffusion can be measured via quasi-elastic scattering experiments, and the results can often be interpreted in terms…
Mathematically modelling diffusive and advective transport of particles in heterogeneous layered media is important to many applications in computational, biological and medical physics. While deterministic continuum models of such…
An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results…
We propose a numerical model to study the viscoplastic deformation of ice single crystals. We consider long-range elastic interactions among dislocations, the possibility of mutual annihilation, and a multiplication mechanism representing…
Quantum parallelism implies a spread of information over the space in contradistinction to the classical mechanical situation where the information is "centered" on a fixed trajectory of a classical particle. This means that a quantum state…
We study the classical dimer model on a square lattice with a single vacancy by developing a graph-theoretic classification of the set of all configurations which extends the spanning tree formulation of close-packed dimers. With this…
We have developed a set of numerical tools for the quantitative analysis of defect dynamics in quasiperiodic structures. We have applied these tools to study dislocation motion in the dynamical equation of Lifshitz and Petrich [Phys. Rev.…
The interaction of C atoms with a screw and an edge dislocation is modelled at an atomic scale using an empirical Fe-C interatomic potential based on the Embedded Atom Method (EAM) and molecular statics simulations. Results of atomic…
Accurate models of precipitation kinetics are essential to control and design structural materials. These models are highly sensitive to the thermodynamic description of precipitates. We use atomistic simulations of a model Fe-Cr system to…
Classical and quantum properties of a discontinuous perturbed twist map are investigated. Different classical diffusive regimes, quasilinear and slow respectively, are observed. The regime of slow classical diffusion gives rise to two…
An analysis is made of a moving disturbance using a directed cyclic graph. A statistical approach is used to calculate the alternative positions in space and state of the disturbance with a defined observed time. The probability for a…