Related papers: Modelling long-range interactions in multiscale si…
The linear and nonlinear processes in ferromagnetic films at low temperatures T<< Tc are studied in a microscopic theory. Both the long-range magnetic dipole-dipole and the Heisenberg exchange interactions to nearest and next-nearest…
We bridge an essential knowledge gap on the understanding of all-optical ultrafast switching in ferrimagnets; namely, the connection between atomistic spin dynamics methods and macroscopic phenomenological models. All-optical switching of…
Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…
Experimental platforms based on ultracold atomic gases have significantly advanced the quantum simulation of complex systems, yet the exploration of phenomena driven by long-range interactions remains a formidable challenge. Currently…
Thermalization phenomena, while ubiquitous in quantum systems, have traditionally been viewed as obstacles to be mitigated. In this study, we demonstrate the ability, instead, to harness thermalization to dynamically engineer and stabilize…
We consider the numerical approximation of a continuum model of antiferromagnetic and ferrimagnetic materials. The state of the material is described in terms of two unit-length vector fields, which can be interpreted as the magnetizations…
Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…
In this thesis, we develop multiscale models for particle simulations in population dynamics. These models are characterised by prescribing particle motion on two spatial scales: microscopic and macroscopic. At the microscopic level, each…
Recently, a new memory effect was found in the metamagnetic domain structure of the diluted Ising antiferromagnet $Fe_x Mg_{1-x} Cl_2$ by domain imaging with Faraday contrast. Essential for this effect is the dipole interaction. We simulate…
Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…
We present results of a Monte Carlo study for the ferromagnetic Ising model with long range interactions in two dimensions. This model has been simulated for a large range of interaction parameter $\sigma$ and for large sizes. We observe…
For the numerical simulations of physical and mechanical behaviors of materials at the micro-nano scale, a coupled model with the effect of local quantum is presented in this paper. Unlike traditional methods, the transition region is not…
Plastic deformation In crystalline materials is controlled by the motion and interactions of dislocations [AND 17]. Discrete Dislocation Dynamics (DDD) simulations have now existed for about 25 years to investigate plastic flow at the…
We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…
An important aspect of real ferromagnetic particles is the demagnetizing field resulting from magnetostatic dipole-dipole interaction, which causes large particles to break up into domains. Sufficiently small particles, however, remain…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
An implementation of the fast multiple method (FMM) is performed for magnetic systems with long-ranged dipolar interactions. Expansion in spherical harmonics of the original FMM is replaced by expansion of polynomials in Cartesian…
We establish a correspondence between the electric dipole matrix elements of a polyatomic symmetric top molecule in a state with nonzero projection of the total angular momentum on the symmetry axis of the molecule and the magnetic dipole…
We investigate in detail the initial susceptibility, magnetization curves, and microstructure of ferrofluids in various concentration and particle dipole moment ranges by means of molecular dynamics simulations. We use the Ewald summation…
Nanostructures with open shell transition metal or molecular constituents host often strong electronic correlations and are highly sensitive to atomistic material details. This tutorial review discusses method developments and applications…