计算物理
Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…
An amalgamate of nematic liquid crystals and active matter, referred to as living liquid crystals, is a promising self-healing material with futuristic applications for targeted delivery of information and micro-cargo. We provide a…
Technological progress in electronics usually requires their use in increasingly aggressive environments, such as rapid thermal cycling and high power density. Thermal diodes appear as excellent candidates to thermally protect critical…
Many integral equations used to analyze scattering, such as the standard combined field integral equation (CFIE), are not well-conditioned for a wide range of frequencies and multi-scale geometries. There has been significant effort to…
Numerical ice sheet models compute evolving ice geometry and velocity fields using various stress-balance approximations and boundary conditions. At high spatial resolution, with horizontal mesh/grid resolutions of a few kilometers or…
Recently, reported a comments on the our paper [JAP21-AR-03574R].. For clarification, we applied the fingerprint theory to examine the similarity between the distinct structures. The fingerprint function is a crystal structure descriptor,…
Recently, reported a comments on the our paper [Appl. Phys. Lett. 119, 142102 (2021)]. With our response, the APL journal rejected their non scientific comments. There are some ambiguities about their claim: 1-They can check the phonon…
Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the…
The Atomic Cluster Expansion (ACE) [R. Drautz, Phys. Rev. B, 99:014104 (2019)] provides a systematically improvable, universal descriptor for the environment of an atom that is invariant to permutation, translation and rotation. ACE is…
Simulating collision cascades and radiation damage poses a long-standing challenge for existing interatomic potentials, both in terms of accuracy and efficiency. Machine-learning based interatomic potentials have shown sufficiently high…
The \emph{ab initio} path integral Monte Carlo (PIMC) method is one of the most successful methods in statistical physics, quantum chemistry and related fields, but its application to quantum degenerate Fermi systems is severely hampered by…
The kinetic theory of rarefied gases and numerical schemes based on the Boltzmann equation have evolved to the cornerstone of non-equilibrium gas dynamics. However, their counterparts in the dense regime remain rather exotic for practical…
In the present work, we propose a self-optimization wavelet-learning method (SO-W-LM) with high accuracy and efficiency to compute the equivalent nonlinear thermal conductivity of highly heterogeneous materials with randomly hierarchical…
While accurate simulations of dense gas flows far from the equilibrium can be achieved by Direct Simulation adapted to the Enskog equation, the significant computational demand required for collisions appears as a major constraint. In order…
We study a driven system in which interaction between particles causes their directional, coupled movement. In that model system, two particles move alternatingly in time on two coupled chains. Without interaction, both particles diffuse…
A significant computational expense and source of numerical errors in front tracking is the remeshing of the triangulated front, required due to distortion and compaction of the front following the Lagrangian advection of its vertices.…
To find deterministic solutions to the transient $S_N$ neutron transport equation, iterative schemes are typically used to treat the scattering (and fission) source terms. We explore the one-cell inversion iteration scheme to do this on the…
Atomistic spin dynamics simulations provide valuable information about the energy spectrum of magnetic materials in different phases, allowing one to identify instabilities and the nature of their excitations. However, the time cost of…
Simulation has become an essential component of designing and developing scientific experiments. The conventional procedural approach to coding simulations of complex experiments is often error-prone, hard to interpret, and inflexible,…
This paper presents a simple approach to combine the high-resolution narrowband features of some desired isolated line models together with the far wing behavior of the projection based strong collision (SC) method to line mixing which was…