Related papers: Nudged Elastic Bands and Lightly Bound Skyrmions
We review a scalable two- and three-dimensional computer code for low-temperature plasma simulations in multi-material complex geometries. Our approach is based on embedded boundary (EB) finite volume discretizations of the minimal…
Aligning theoretical atomistic structural models of materials with available experimental data presents a significant challenge for disordered systems. The configurational space to navigate is vast, and faithful realizations require large…
The aim of this paper is to study all the natural first steps of the minimal model program for the moduli space of stable pointed curves. We prove that they admit a modular interpretation and we study their geometric properties. As a…
In materials that undergo martensitic phase transformation, macroscopic loading often leads to the creation and/or rearrangement of elastic domains. This paper considers an example {involving} a single-crystal slab made from two martensite…
In solid state physics, electronic properties of crystalline materials are often inferred from the spectrum of periodic Schr\"odinger operators. As a consequence of Bloch's theorem, the numerical computation of electronic quantities of…
Electron scattering is a tool that can provide relatively clean view of the nuclear structure in both ground and excited states, as it depends on the well-known electromagnetic interaction. But since the common expressions for its cross…
We determine sizes and activation energies of k{\pi}-skyrmions on a discrete lattice using the Landau- Lifshitz-Gilbert equation and the geodesic nudged elastic band method. The employed atomic material parameters are based on the…
We present the incorporation of a surrogate Gaussian Process Regression (GPR) atomistic model to greatly accelerate the rate of convergence of classical Nudged Elastic Band (NEB) calculations. In our surrogate model approach, the cost of…
The Statistical Multifragmentation Model is modified to incorporate the Helmholtz free energies calculated in the finite temperature Thomas-Fermi approximation using Skyrme effective interactions. In this formulation, the density of the…
In our previous paper (Phys. Rev. B {\bf 89}, 165430 (2014)) we have found that in graphene, in distinction to the four occupied bands, which can be described by the simple tight-binding model (TBM) with four atomic orbitals per atom, the…
A systematic study of $\gamma$-bands observed in atomic nuclei is performed using the triaxial projected shell model (TPSM) approach. The staggering phase between the even and odd spin members of the $\gamma$-band for most the nuclei…
To investigate $pn$ pair correlations in $N=Z=\textrm{odd}$ nuclei, we develop a new framework based on the generator coordinate method of the $\beta\gamma$ constraint antisymmetrized molecular dynamics. In the framework, the isospin…
We investigate how isospin affects the geometrical shape and energy of classical soliton solutions of topological charges $B=1-4,8$ in the Skyrme model. The novel approach in our work is that we study classically isospinning Skyrmions…
Reduced-order simulation is an emerging method for accelerating physical simulations with high DOFs, and recently developed neural-network-based methods with nonlinear subspaces have been proven effective in diverse applications as more…
We analyze the mechanism of condensation of orientational moduli (as introduced in [25]) on multi-Skyrmionic configurations of the four-dimensional Skyrme model. The present analysis reveals interesting novel features. First of all, the…
Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or…
We introduce a simplified model of the electron-beam/plasma system to model the electrical breakdown caused by the inductive electric field created by a rapidly rising electron beam current. The rigid-beam model is a reduction to the…
Isomorphs are curves in the thermodynamic phase diagram of invariant excess entropy, structure, and dynamics, while pseudoisomorphs are curves of invariant structure and dynamics, but not of the excess entropy. The latter curves have been…
A conic fibration has an associated sheaf of even Clifford algebras on the base. In this paper, we study the relation between the moduli spaces of modules over the sheaf of even Clifford algebras and the Prym variety associated to the conic…
The semi-classical Wigner-Kirkwood $\hbar$ expansion method is used to calculate shell corrections for spherical and deformed nuclei. The expansion is carried out up to fourth order in $\hbar$. A systematic study of Wigner-Kirkwood averaged…