计算物理
In order to simulate elastic wave propagation in a complex structure with inhomogeneous media, we often need to obtain the propagating eigenmodes of an elastic waveguide. As the waveguide is assumed uniform in one direction, the original…
We present MadFlow, a first general multi-purpose framework for Monte Carlo (MC) event simulation of particle physics processes designed to take full advantage of hardware accelerators, in particular, graphics processing units (GPUs). The…
The design and optimization of radiofrequency-wave systems for fusion applications is often performed using ray-tracing codes, which rely on the geometrical-optics (GO) approximation. However, GO fails at wave cutoffs and caustics. To…
In several domains of physics, including first principle simulations and classical models for polarizable systems, the minimization of an energy function with respect to a set of auxiliary variables must be performed to define the dynamics…
We present a robust, highly accurate, and efficient positivity- and boundedness-preserving diffuse interface method for the simulations of compressible gas-liquid two-phase flows with the five-equation model by Allaire et al. using…
We outline a 2D algorithm for solving incompressible flow--structure interaction problems for mixed rigid/soft body representations, within a consistent framework based on the remeshed vortex method. We adopt the one--continuum formulation…
We present a computationally efficient approach to perform systematically convergent real-space all-electron Kohn-Sham DFT calculations for solids using an enriched finite element (FE) basis. The enriched FE basis is constructed by…
This paper presents a formulation of Lagrangian dynamics of constrained mechanical systems in terms of reduced quasi-velocities and quasi-forces that can be used for simulation, analysis, and control purposes. In this formulation, Cholesky…
This work presents a hybrid modeling approach to data-driven learning and representation of unknown physical processes and closure parameterizations. These hybrid models are suitable for situations where the mechanistic description of…
The universal mathematical form of machine-learning potentials (MLPs) shifts the core of development of interatomic potentials to collecting proper training data. Ideally, the training set should encompass diverse local atomic environments…
Convection is a fundamental fluid transport phenomenon, where the large-scale motion of a fluid is driven, for example, by a thermal gradient or an electric potential. Modeling convection has given rise to the development of chaos theory…
We demonstrate that the finite difference grid method (FDM) can be simply modified to satisfy the variational principle and enable calculations of both real and complex poles of the scattering matrix. These complex poles are known as…
We present \texttt{ESpinS} (Esfahan Spin Simulation) package to evaluate the thermodynamic properties of spin systems described by a spin model Hamiltonian. In addition to the Heisenberg exchange term, the spin Hamiltonian can contain…
PySPH is an open-source, Python-based, framework for particle methods in general and Smoothed Particle Hydrodynamics (SPH) in particular. PySPH allows a user to define a complete SPH simulation using pure Python. High-performance code is…
We outline the development of a general-purpose Python-based data analysis tool for OpenFOAM. Our implementation relies on the construction of OpenFOAM applications that have bindings to data analysis libraries in Python. Double precision…
The following paper presents two simulation strategies for compressible two-phase or multicomponent flows. One is a full non-equilibrium model in which the pressure and velocity are driven towards the equilibrium at interfaces by numerical…
We present a novel pressure-based method for weakly compressible multiphase flows, based on a non-equilibrium Baer and Nunziato-type model. In this work, we describe the hyperbolic operator, thus we do not consider relaxation terms. The…
A new semi-analytical iterative scheme is proposed in this work for solving the generalized Peierls-Nabarro model. The numerical method developed here exploits certain basic properties of the Hilbert transform to achieve the desired…
We propose a new Harten-Lax-van Leer discontinuities (HLLD) approximate Riemann solver to improve the stability of shocks and the accuracy of low-speed flows in multidimensional magnetohydrodynamic (MHD) simulations. Stringent benchmark…
Plasmon-induced transparency (PIT) displays complex nonlinear dynamics that find critical phenomena in areas such as nonlinear waves. However, such a nonlinear solution depends sensitively on the selection of parameters and different…