Computational Physics
Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an ordered way and was synthesized recently (Science 360…
Field Programmable Gate Arrays generate algorithmic specific architectures that improve the code's FLOP per watt ratio. Such devices are re-gaining interest due to the rise of new tools that facilitate their programming, such as OmpSs. The…
The multi-scale flow mechanism is crucial for force and heat loaded on near-space and reentry vehicles, the control of spacecraft by thrusters, the propelling and cooling of MEMS, etc. Since the continuum flow and rarefied flow often exist…
Released pollutants and poisonous chemicals in the highly-populated urban areas can spread via wind flow and affect the health, safety, and wellbeing of those close to the source and others downstream. Being able to predict the transport of…
We present a robust analysis code developed in the Python language and incorporating libraries of the ROOT data analysis framework for the state-of-the-art mass spectrometry method called phase-imaging ion-cyclotron-resonance (PI-ICR). A…
The production, application, and/or measurement of polarised X-/gamma rays are key to the fields of synchrotron science and X-/gamma-ray astronomy. The design, development and optimisation of experimental equipment utilised in these fields…
The NCrystal library provides a range of models for simulation of both elastic and inelastic scattering of thermal neutrons in a range of material structures. This article presents the available models for elastic scattering, and includes…
One of the biggest challenges for simulating the Boltzmann equation is the evaluation of fivefold collision integral. Given the recent successes of deep learning and the availability of efficient tools, it is an obvious idea to try to…
A numerical method based on smoothed particle hydrodynamics with adaptive spatial resolution (SPH-ASR) was developed for simulating free surface flows. This method can reduce the computational demands while maintaining the numerical…
An unconventional magnet may be mapped onto a simple ferromagnet by the existence of a high-symmetry point. Knowledge of conventional ferromagnetic systems may then be carried over to provide insight into more complex orders. Here we…
The WS time delay matrix relates a lossless and reciprocal system's scattering matrix to its frequency derivative, and enables the synthesis of modes that experience well-defined group delays when interacting with the system. The elements…
Super-Droplet Method (SDM) is a probabilistic Monte-Carlo-type model of particle coagulation process, an alternative to the mean-field formulation of Smoluchowski. SDM as an algorithm has linear computational complexity with respect to the…
We establish a machine learning model for the prediction of the magnetization dynamics as function of the external field described by the Landau-Lifschitz-Gilbert equation, the partial differential equation of motion in micromagnetism. The…
Computational multiscale modeling encompasses a wide range of end-products and a great number of technological applications. This paper provides an overview of the computational multiscale modeling approach based on the utilization of MBN…
Numerical simulations on fluid dynamics problems primarily rely on spatially or/and temporally discretization of the governing equation into the finite-dimensional algebraic system solved by computers. Due to complicated nature of the…
Palabos-npFEM is a computational framework for the simulation of blood flow with fully resolved constituents. The software resolves the trajectories and deformed state of blood cells, such as red blood cells and platelets, and the complex…
We propose a highly versatile computational framework for the simulation of cellular blood flow focusing on extreme performance without compromising accuracy or complexity. The tool couples the lattice Boltzmann solver Palabos for the…
Simulation involves predicting responses of a physical system. In this article, we simulate opto-acoustic signals generated in a three-dimensional volume due to absorption of an optical pulse. A separable computational model is developed…
With its roots in kinetic theory, the lattice Boltzmann method (LBM) cannot only be used to solve complex fluid flows but also radiative transport in volume. The present work derives a novel Fresnel boundary scheme for radiative transport…
Fractional calculus has been proved to be very effective in representing the visco-elastic relaxation response of materials with memory such as polymers. Moreover, in modelling the temperature dependency of the material functions in…