计算物理
We update our root-search method for transcendental equations. Our method is globally convergent and is guaranteed to locate all complex roots within a specified search domain, since it is based on Cauchy's residue theorem. We extend the…
A computational tool, Omnisoot, was developed utilizing the chemical kinetics capabilities of Cantera to model the formation of carbonaceous nanoparticles, such as soot and Carbon Black (CB), from the reactions of gaseous hydrocarbons.…
BridgeNet is a novel hybrid framework that integrates convolutional neural networks with physics-informed neural networks to efficiently solve non-linear, high-dimensional Fokker-Planck equations (FPEs). Traditional PINNs, which typically…
A quantum interatomic scattering is implemented in the direct simulation Monte Carlo (DSMC) method applied to transport phenomena in rarefied gases. In contrast to the traditional DSMC method based on the classical scattering, the proposed…
Gaseous flows under an external force are intrinsically defined by their multi-scale nature due to the large variation of densities along the forcing direction. Devising a numerical method capable of accurately and efficiently solving…
We propose an efficient numerical approach to simulate the boundary local time of reflected Brownian motion, as well as the time and position of the associated reaction event on a smooth boundary of a Euclidean domain. This approach…
In computational nanodosimetry, Monte Carlo Track Structure (MCTS) simulations are employed to calculate ionisation cluster size distributions (ICSDs), which are crucial for characterising mixed radiation fields at the nanoscale. The…
In this work, we introduce PHOENIX, a highly optimized explicit open-source solver for two-dimensional nonlinear Schr\"odinger equations with extensions. The nonlinear Schr\"odinger equation and its extensions (Gross-Pitaevskii equation)…
In this work, we address the challenges posed by the high nonlinearity of the Butler-Volmer (BV) equation in forward and inverse simulations of the pseudo-two-dimensional (P2D) model using the physics-informed neural network (PINN)…
Continuum damage mechanics (CDM) is a popular framework for modelling crack propagation in solids. The CDM uses a damage parameter to quantitatively assess what one loosely calls `material degradation'. While this parameter is sometimes…
Accurate prediction of wind flow fields in urban canopies is crucial for ensuring pedestrian comfort, safety, and sustainable urban design. Traditional methods using wind tunnels and Computational Fluid Dynamics, such as Large-Eddy…
In this paper, we address the challenge of accurately calculating droplet/bubble properties (e.g., volume, number) in diffuse-interface two-phase flow simulations. Currently, flood-fill algorithms can truncate a significant portion of the…
The Biot-Savart law is relevant in physical contexts including electromagnetism and fluid dynamics. In the latter case, when the rotation of a fluid is confined to a set of very thin vortex filaments, this law describes the velocity field…
Drag forces on particles in random assemblies can be accurately estimated through particle-resolved direct numerical simulations (PR-DNS). Despite its limited applicability to relatively small assemblies, data obtained from PR-DNS has been…
A family of conservative schemes for the axisymmetric contact smoothed particle hydrodynamics (CSPH) method, which ensure the accuracy and stability in modeling of complex multi-material flows of compressible media, is introduced. Among…
Quantum nanostructures offer crucial applications in electronics, photonics, materials, drugs, etc. For accurate design and analysis of nanostructures and materials, simulations of the Schrodinger or Schrodinger-like equation are always…
Algorithmic efficiency is essential to reducing energy and time usage for computational problems. Optimizing efficiency is important for tasks involving multiple resources, for example in stochastic calculations where the size of the random…
A new family of Gaussian-type SIGMA basis sets, termed reduced SIGMA basis sets, is introduced and preliminarily tested. Sharing the same composition as Dunning basis sets, they enhance performance by reducing linear dependencies in large…
In this work, we present RePlaChem, a software library for reducing detailed large-scale plasma chemical mechanisms to smaller skeletal ones. The library parses a plasma chemical mechanism in the well-established format compatible with the…
The Molten Salt Fast Reactor (MSFR) is one of the six GEN-IV reactor designs. In the MSFR, the liquid fuel is the coolant, which moves throughout the primary circuit. This complex phenomenology requires multiphysics modeling. In the present…