计算物理
In this paper, the results of numerical experiments verifying a novel setup for laser beam profiling are presented. The experimental setup is based on infrared thermography and includes laser beam illuminating a thin metal plate. The method…
This paper proposes a novel numerical method based on Godunov Smoothed Particle Hydrodynamics for special relativistic fluid dynamics. Our method utilizes a Riemann solver to describe shock, enhancing accuracy in strong shock waves. The…
Meshfree particle methods, such as Smoothed Particle Hydrodynamics (SPH) and the Moving Particle Semi-Implicit (MPS) method, are widely used to simulate complex free-surface and multiphase flows. A key challenge in these methods is the…
The $O(N)$ stochastic propagation method, which relies on the numerical solution of the time-dependent Schr\"odinger equation using random initial states, is widely used in large-scale first-principles calculations. In this work, we…
QCMaquis is a quantum chemistry software package for general molecular structure calculations in a matrix product state/matrix product operator formalism of the density matrix renormalization group (DMRG). It supports a wide range of…
The Monte Carlo method is typically considered the gold standard for simulating reactor physics problems, as it does not require discretization of the phase space. This is not necessarily true though when simulating multigroup problems, as…
Results are presented for the numerical verification of a method devised to identify an unknown spatio-temporal distribution of heat flux that occurs at the surface of thin aluminum plate, as a result of pulsed, high-power laser beam…
Characterizing the temperature-dependent thermal conductivity is challenging because the property varies strongly with temperature and reliable heat flow measurement, not just temperature sensing, is difficult under experimental conditions.…
The nudged elastic band (NEB) method is one of the most widely used techniques for determining minimum-energy reaction pathways and activation barriers between known initial and final states. However, conventional implementations face steep…
The computational homogenization of elastoplastic polycrystals is a challenging task due to the huge number of grains required, their complicated interactions and due to the complexity of crystal plasticity models per se. Despite a few…
Predicting fracture load in laminated composites with stress raisers is challenging due to complex failure mechanisms such as delamination, fibre breakage, and matrix cracking, which are heavily influenced by fibre orientation, layup…
The diffusive transport of particles in anisotropic media is a fundamental phenomenon in computational, medical and biological disciplines. While deterministic models (partial differential equations) of such processes are well established,…
This letter proposes a novel anti-interference communication method leveraging computational antennas, utilizing time averaging and 1-bit reconfigurable intelligent surfaces (RIS) to achieve robust signal modulation with minimal hardware…
We present an accurate and efficient framework for real-space Hubbard-corrected density functional theory. In particular, we obtain expressions for the energy, atomic forces, and stress tensor suitable for real-space finite-difference…
A new model, for the accurate simulation of multiple Coulomb scattering (MSC) of e-/e+, has been implemented in Geant4 recently and made available with version Geant4-10.4. The model is based on Goudsmit-Saunderson (GS) angular…
The accurate numerical simulation of turbulent incompressible flows is a challenging topic in computational fluid dynamics. For discretisation methods to be robust in the under-resolved regime, mass conservation as well as energy stability…
Linear response theory is a well-established method in physics and chemistry for exploring excitations of many-body systems. In particular, the quasiparticle random-phase approximation (QRPA) provides a powerful microscopic framework by…
This work presents a modeling framework to represent the thermomechanical behavior of complex materials based on micromechanical dynamics. The framework is applied to nuclear fuel rod elements composed of Zircaloy-2 cladding tubes and…
We introduce GO-Diff, a diffusion-based method for global structure optimization that learns to directly sample low-energy atomic configurations without requiring prior data or explicit relaxation. GO-Diff is trained from scratch using a…
This paper demonstrates a pathway to topological superconductivity in monolayer triangular lattices through long-range pairing without requiring spin-orbit coupling and magnetic field, contrasting conventional frameworks reliant on…