计算物理
It has been a challenge to accurately simulate Li-ion diffusion processes in battery materials at room temperature using {\it ab initio} molecular dynamics (AIMD) due to its high computational cost. This situation has changed drastically in…
All discretized numerical models contain modelling errors - this reality is amplified when reduced-order models are used. The ability to accurately approximate modelling errors informs statistics on model confidence and improves…
Partial differential equations are frequently solved using a global basis, such as the Fourier series, due to excellent convergence. However, convergence becomes impaired when discontinuities are present due to the Gibbs phenomenon,…
The Riemann problem is one of the basic building blocks for numerical methods in computational fluid mechanics. Nonetheless, there are still open questions and gaps in theory and modelling for situations with complex thermodynamic behavior.…
In this paper, we develop a nested hybridizable discontinuous Galerkin (HDG) method to numerically solve the Maxwell's equations coupled with the hydrodynamic model for the conduction-band electrons in metals. By means of a static…
We propose an Hermite spectral method for the Fokker-Planck-Landau (FPL) equation. Both the distribution functions and the collision terms are approximated by series expansions of the Hermite functions. To handle the complexity of the…
The study of the underlying physics of soft flowing materials depends heavily on numerical simulations, due to the complex structure of the governing equations reflecting the competition of concurrent mechanisms acting at widely disparate…
This paper presents robust discontinuous Galerkin methods for the incompressible Navier-Stokes equations on moving meshes. High-order accurate arbitrary Lagrangian-Eulerian formulations are proposed in a unified framework for both…
The radiation hydrodynamics equations for smoothed particle hydrodynamics are derived by operator splitting the radiation and hydrodynamics terms, including necessary terms for material motion, and discretizing each of the sets of equations…
This work presents efficient solution techniques for radiative transfer in the smoothed particle hydrodynamics discretization. Two choices that impact efficiency are how the material and radiation energy are coupled, which determines the…
This paper reviews some of the challenges posed by the huge growth of experimental data generated by the new generation of large-scale experiments at UK national facilities at the Rutherford Appleton Laboratory site at Harwell near Oxford.…
It is not yet clear what drives the adsorption of ions on detonation nanodiamonds (DNDs), which plays a critical role on the loading (unloading) of chemotherapeutic drugs on (from) the surface of DNDs in their targeted therapy applications.…
Magnetic Resonance Elastography allows noninvasive visualization of tissue mechanical properties by measuring the displacements resulting from applied stresses, and fitting a mechanical model. Poroelasticity naturally lends itself to…
Several applications such as nuclear forensics, nuclear fuel cycle simulations and sensitivity analysis require methods to quickly compute spent fuel nuclide compositions for various irradiation histories. Traditionally, this has been done…
We report a direct scheme calculation of kinetic energy functional derivative using Machine Learning. Support Vector Regression and Kernel Ridge Regression techniques were independently employed to estimate the kinetic energy functional and…
An open-sourced multiphase Darcy-Brinkman approach is proposed to simulate two-phase flow in hybrid systems containing both solid-free regions and porous matrices. This micro-continuum model is rooted in elementary physics and volume…
A modification of the saddle point method is proposed for computation of non-stationary wave processes (pulses) in waveguides. The dispersion diagram of the waveguide is continued analytically. A set of possible saddle points on the…
In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…
Modeling the effect of complex terrain on high Reynolds number flows is important to improve our understanding of flow dynamics in wind farms and the dispersion of pollen and pollutants in hilly or mountainous terrain as well as the flow in…
This paper presents an extension of the hybrid scheme proposed by Wang et al. (J. Comput. Phys. 229 (2010) 169-180) for numerical simulation of compressible isotropic turbulence to flows with higher turbulent Mach numbers. The scheme still…