计算物理
Anomalous short- and long-time self-diffusion of non-overlapping fractal particles on a percolation cluster with spreading dimension $1.67(2)$ is studied by dynamic Monte Carlo simulations. As reported in Phys. Rev. Lett. 115, 097801…
We demonstrate neural-network runtime prediction for complex, many-parameter, massively parallel, heterogeneous-physics simulations running on cloud-based MPI clusters. Because individual simulations are so expensive, it is crucial to train…
We present a tensor-decomposition method to solve the Boltzmann transport equation (BTE) in the Bhatnagar-Gross-Krook approximation. The method represents the six-dimensional BTE as a set of six one-dimensional problems, which are solved…
There is growing interest in warm dense matter (WDM) -- an exotic state on the border between condensed matter and plasmas. Due to the simultaneous importance of quantum and correlation effects WDM is complicated to treat theoretically. A…
We present a comprehensive study for common second order PDE's in two dimensional disk-like systems and show how their solution can be approximated by finding the Green function of an effective one dimensional system. After elaborating on…
In this work, a lattice Boltzmann scheme is developed for numerical solution of the phonon Boltzmann equation under Callaway's dual relaxation model in the hydrodynamic limit. Through a Chapman-Enskog expansion to the lattice Boltzmann…
We present a fast simulation application based on a Deep Neural Network, designed to create large analysis-specific datasets. Taking as an example the generation of W+jet events produced in sqrt(s)= 13 TeV proton-proton collisions, we train…
A numerical method using discontinuous polynomial approximations is formulated for solving a phase-field model of two immiscible fluids with a soluble surfactant. The scheme recovers the Langmuir adsorption isotherms at equilibrium.…
Biased sampling methods such as the Temperature Accelerated Sliced Sampling (TASS), which can explore high dimensional collective variable (CV) space, is of great interest in free energy calculations. Such methods can efficiently sample…
This chapter deals with multi-material flow problems by a kind of effective numerical methods, based on a series of reduced forms of the Baer-Nunziato (BN) model. Numerical simulations often face a host of difficult challenges, typically…
In this work, we propose a network which can utilize computational cheap low-fidelity data together with limited high-fidelity data to train surrogate models, where the multi-fidelity data are generated from multiple underlying models. The…
Simulation of turbulent flows at high Reynolds number is a computationally challenging task relevant to a large number of engineering and scientific applications in diverse fields such as climate science, aerodynamics, and combustion.…
Material representations that are compatible with machine learning models play a key role in developing models that exhibit high accuracy for property prediction. Atomic orbital interactions are one of the important factors that govern the…
We present a multi-level delumping method suitable for thermal enhanced oil recovery processes, for which hydrocarbon components are vaporized under high temperatures, move downstream in the gas phase and condense back to the liquid phase.…
We present a new method for the numerical solution of the radiative-transfer equation (RTE) in multidimensional scenarios commonly encountered in computational astrophysics. The method is based on the direct solution of the Boltzmann…
Electronic stopping (ES) of energetic atoms is not taken care of by the interatomic potentials used in molecular dynamics (MD) simulations when simulating collision cascades. The Lindhard-Scharff (LS) formula for electronic stopping is…
We present a GPU based openACC fortran program named HeTDSE, which provides an efficient way to investigate the non-perturbative electronic dynamics of helium subjected to a strong laser pulse by solving full-dimensional two-electron time…
We propose a multiple relaxation time Boltzmann equation collision model by systematically assigning a separate relaxation time to each of the central moments of the distribution function. The Chapman-Enskog calculation leads to correct…
Beam Delivery Simulation (BDSIM) is a program that simulates the passage of particles in a particle accelerator. It uses a suite of standard high energy physics codes (Geant4, ROOT and CLHEP) to create a computational model of a particle…
The moment-of-fluid method (MOF) is an extension of the volume-of-fluid method with piecewise linear interface construction (VOF-PLIC). In MOF reconstruction, the optimized normal vector is determined from the reference centroid and the…