相关论文: Software Complex for the Numerical Solution of the…
An extended Hamiltonian approach to conduct isothermal-isobaric molecular dynamics simulations with full cell flexibility is presented. The components of the metric tensor are used as the fictitious degrees of freedom for the cell, thus…
A general formulation was developed to represent material models for applications in dynamic loading. Numerical methods were devised to calculate response to shock and ramp compression, and ramp decompression, generalizing previous…
Characterizing the nature of hydrodynamical transport properties in quantum dynamics provides valuable insights into the fundamental understanding of exotic non-equilibrium phases of matter. Experimentally simulating infinite-temperature…
In the present work we calculate the theoretical tunneling conductance curves of SIN junctions involving high-Tc superconductors, for different possible symmetries of the order parameter (s, d, s+id, s+d, anisotropic s and extended s). To…
Within the framework of non-relativistic quantum mechanics, the ro-vibrational energy spectra of the improved deformed exponential-type potential model are obtained using the Greene-Aldrich approximation scheme and an appropriate coordinate…
The thermal photon emissivity at the QCD chiral crossover is investigated using imaginary momentum correlators. These have been measured on a newly generated $20 \times 96^3$ lattice-QCD ensemble with $\mathcal{O}(a)$-improved Wilson quarks…
An exact analytical solution of the statistical multifragmentation model is found in thermodynamic limit. Excluded volume effects are taken into account in the thermodynamically self-consistent way. The model exhibits a 1-st order phase…
We have built an integrated computational platform for material properties at extreme conditions, ProME (Professional Materials at Extremes) v1.0, which enables integrated calculations for multicomponent alloys, covering high temperatures…
Theoretical prediction of the 2nd-order magnetic transition temperature (TM) used to be arduous. Here, we develop a first principle-based, fully automatic structure-to-TM method for two-dimensional (2D) magnets whose effective Hamiltonians…
We present a class of thermodynamic systems with constant thermodynamic curvature which, within the context of geometric approaches of thermodynamics, can be interpreted as constant thermodynamic interaction among their components. In…
We present a new explicit and stable numerical algorithm to solve the homogeneous heat equation. We illustrate the performance of the new method in the cases of two 2D systems with highly inhomogeneous random parameters. Spatial…
A unified algebraic structure is shown to exist among various equations for the critical temperatures pertaining to diverse two- and three-dimensional lattices. This isomorphism is a pointer to the straight-forward extension of…
There are many numerical methods for solving partial different equations (PDEs) on manifolds such as classical implicit, finite difference, finite element, and isogeometric analysis methods which aim at improving the interoperability…
We consider thermodynamic properties, e.g. specific heat, magnetic susceptibility, of alternating Heisenberg spin chains. Due to a hidden Ising symmetry these chains can be decomposed into a set of finite chain fragments. The problem of…
We propose an explicit-implicit scheme for numerically solving Special Relativistic Radiation Hydrodynamic (RRHD) equations, which ensures a conservation of total energy and momentum (matter and radiation). In our scheme, 0th and 1st moment…
The impressive progress of the kinetic schemes in the solution of gas dynamics problems and the development of effective parallel algorithms for modern high performance parallel computing systems led to the development of advanced methods…
The simulation of ion-atom collisions remains a formidable challenge due to the complex interplay between electronic and nuclear degrees of freedom. We present a hybrid quantum-classical computing framework for simulating time-dependent…
We propose a numerical method for the solution of electromagnetic problems on axisymmetric domains, based on a combination of a spectral Fourier approximation in the azimuthal direction with an IsoGeometric Analysis (IGA) approach in the…
The discovery and optimization of phase-change and shape memory alloys remain a tedious and expensive process. Here a simple computational method is proposed to determine the ideal phase-change material for a given alloy composed of three…
An effective method to obtain exact analytical solutions of equations describing the coherent dynamics of multilevel systems is presented. The method is based on the usage of orthogonal polynomials, integral transforms and their discrete…