Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userOn quantifying the topological charge in micromagnetics using a lattice-based approach
42
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
An implementation of a lattice-based approach for computing the topological skyrmion charge is provided for the open source micromagnetics code MuMax3. Its accuracy with respect to an existing method based on finite difference derivatives is compared for three different test cases. The lattice-based approach is found to be more robust for finite-temperature dynamics and for nucleation and annihilation processes in extended systems.
rate research
Read More
The reliability of atomistic simulations depends on the quality of the underlying energy models providing the source of physical information, for instance for the calculation of migration barriers in atomistic Kinetic Monte Carlo simulations. Accurate (high-fidelity) methods are often available, but since they are usually computationally expensive, they must be replaced by less accurate (low-fidelity) models that introduce some degrees of approximation. Machine-learning techniques such as artificial neural networks are usually employed to work around this limitation and extract the needed parameters from large databases of high-fidelity data, but the latter are often computationally expensive to produce. This work introduces an alternative method based on the multifidelity approach, where correlations between high-fidelity and low-fidelity outputs are exploited to make an educated guess of the high-fidelity outcome based only on quick low-fidelity estimations, hence without the need of running full expensive high-fidelity calculations. With respect to neural networks, this approach is expected to require less training data because of the lower amount of fitting parameters involved. The method is tested on the prediction of ab initio formation and migration energies of vacancy diffusion in iron-copper alloys, and compared with the neural networks trained on the same database.
We develop and implement a novel lattice Boltzmann scheme to study multicomponent flows on curved surfaces, coupling the continuity and Navier-Stokes equations with the Cahn-Hilliard equation to track the evolution of the binary fluid interfaces. Standard lattice Boltzmann method relies on regular Cartesian grids, which makes it generally unsuitable to study flow problems on curved surfaces. To alleviate this limitation, we use a vielbein formalism to write down the Boltzmann equation on an arbitrary geometry, and solve the evolution of the fluid distribution functions using a finite difference method. Focussing on the torus geometry as an example of a curved surface, we demonstrate drift motions of fluid droplets and stripes embedded on the surface of a torus. Interestingly, they migrate in opposite directions: fluid droplets to the outer side while fluid stripes to the inner side of the torus. For the latter we demonstrate that the global minimum configuration is unique for small stripe widths, but it becomes bistable for large stripe widths. Our simulations are also in agreement with analytical predictions for the Laplace pressure of the fluid stripes, and their damped oscillatory motion as they approach equilibrium configurations, capturing the corresponding decay timescale and oscillation frequency. Finally, we simulate the coarsening dynamics of phase separating binary fluids in the hydrodynamics and diffusive regimes for tori of various shapes, and compare the results against those for a flat two-dimensional surface. Our lattice Boltzmann scheme can be extended to other surfaces and coupled to other dynamical equations, opening up a vast range of applications involving complex flows on curved geometries.
The Breit correction, the finite-light-speed correction for the Coulomb interaction of the electron-electron interaction in $ O left( 1/ c^2 right) $, is introduced to density functional theory (DFT) based on the non-relativistic reduction with the local density approximation. Using this newly developed relativistic DFT, it is found that the possible outer-most electron of lawrencium atom is the $ p $ orbital instead of the $ d $ orbital, which is consistent with the previous calculations based on wave-function theory. A possible explanation of the anomalous behavior of its first ionization energy is also given. This DFT scheme provides a practical calculation method for the study of properties of super-heavy elements.
We present our open-source Python module Commics for the study of the magnetization dynamics in ferromagnetic materials via micromagnetic simulations. It implements state-of-the-art unconditionally convergent finite element methods for the numerical integration of the Landau-Lifshitz-Gilbert equation. The implementation is based on the multiphysics finite element software Netgen/NGSolve. The simulation scripts are written in Python, which leads to very readable code and direct access to extensive post-processing. Together with documentation and example scripts, the code is freely available on GitLab.
By using the cluster perturbation theory, we investigate the effects of the local electron-phonon interaction in the quantum spin Hall topological insulator described by the half-filled Kane-Mele model on an honeycomb lattice. Starting from the topological non trivial phase, where the minimal gap is located at the two inequivalent Dirac points of the Graphene, $text{K}$ and $text{K}$, we show that the coupling with quantum phonons induces a topological-trivial quantum phase transition through a gap closing and reopening in the $text{M}$ point of the Brillouin zone. The average number of fermions in this point turns out to be a direct indicator of the quantum transition pointing out a strong hybridization between the two bare quasiparticle bands of the Kane-Mele model. By increasing the strength of charge-lattice coupling, the phonon Greens propagator displays a two peak structure: the one located at the lowest energy exhibits a softening that is maximum around the topological transition. Numerical simulations provide also evidence of several kinks in the quasiparticle dispersion caused by the coupling of the electrons with the bosonic lattice mode.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
