Related papers: FreeBird.jl: An Extensible Toolbox for Simulating …
We present a lattice Boltzmann algorithm based on an underlying free energy that allows the simulation of the dynamics of a multicomponent system with an arbitrary number of components. The thermodynamic properties, such as the chemical…
Electrochemical kinetics at electrode-electrolyte interfaces are crucial to understand high-rate behavior of energy storage devices. Phase transformation of electrodes is typically treated under equilibrium thermodynamic conditions, while…
Chemellia is an open-source framework for atomistic machine learning in the Julia programming language. The framework takes advantage of Julia's high speed as well as the ability to share and reuse code and interfaces through the paradigm…
Based on the idea of maintaining physical diffuse interface kinetics, enhancing interfacial diffusivity has recently provided a new direction for quantitative phase-field simulation at microstructural length and time scale. Establishing a…
This article introduces new acceleration methods for fixed-point iterations. Extrapolations are computed using two or three mappings alternately and a new type of step length is proposed with good properties for nonlinear applications. The…
Computer simulations of amphiphilic systems are reviewed. Research areas cover a wide range of length and time scales, and a whole hierarchy of models and methods has been developed to address them all. They range from atomistically…
The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature,…
A phase-field model that allows for quantitative simulations of low-speed eutectic and peritectic solidification under typical experimental conditions is developed. Its cornerstone is a smooth free-energy functional, designed so that the…
We present a wavelet-based adaptive method for computing 3D multiscale flows in complex, time-dependent geometries, implemented on massively parallel computers. While our focus is on simulations of flapping insects, it can be used for other…
As the main theoretical support of quantum metrology, quantum parameter estimation must follow the steps of quantum metrology towards the applied science and industry. Hence, optimal scheme design will soon be a crucial and core task for…
Simulations play a crucial role in robotics research and education. This paper presents the OpenUAV testbed, an open-source, easy-to-use, web-based, and reproducible software system that enables students and researchers to run robotic…
Atomistic simulations are employed to demonstrate the existence of a well-defined thermodynamic phase transformation between grain boundary (GB) phases with different atomic structures. The free energy of different interface structures for…
Machine learning-based surrogate models have emerged as a powerful tool to accelerate simulation-driven scientific workflows, but their adoption is limited by the lack of large-scale, diverse, and standardized datasets for physics-based…
The application of Large Language Models (LLMs) for Automated Algorithm Discovery (AAD), particularly for optimisation heuristics, is an emerging field of research. This emergence necessitates robust, standardised benchmarking practices to…
This work outlines a new three-dimensional diffuse interface finite volume method for the simulation of multiple solid and fluid components featuring large deformations, sliding and void opening. This is achieved by extending an existing…
We report on the development of a modular platform for programmable quantum simulation with atomic quantum gases. The platform is centered around exchangeable optical modules with versatile functionalities. The performance of each module is…
We provide an explicit analytical calculation that shows the asymptotic approach of the one dimensional Caldeira-Leggett model to thermal equilibrium in the high temperature and weak coupling limit. We investigate a free particle and a…
Agglomeration, adsorption, and extraction in dispersed multiphase systems are ubiquitously encountered in biological systems, energy industry, and medical science. In this work, a novel lattice model is extended to the three-component…
The Jarzynski equality (JE) provides a nonequilibrium method to measure and calculate the free energy difference (FED). Note that if two systems share the same Hamiltonian at two equilibrium states, respectively, they share the same FED…
In this article, a floating robotic emulation platform for a virtual demonstration of satellite motion in space is presented. The robotic platform design is characterized by its friction-less, levitating, yet planar motion over a…