A Batch Power Iteration Approach for the Iterative Quasi-Monte Carlo Method Using a Randomized-Halton SequenceThe Iterative Quasi-Monte Carlo (iQMC) method is a recently developed hybrid method for neutron transport simulations. iQMC replaces standard quadrature techniques used in deterministic linear…Samuel Pasmann, Ilham Variansyah, C. T. Kelley et al.·Jan 10, 2025SaveLearn
Randomized Quasi-Monte Carlo Sampling in The Random Ray Method for Neutron Transport SimulationsIn a random ray method of neutral particle transport simulation, each iteration begins by sampling a set of rays before proceeding to solve the characteristic transport equation along the linear…Samuel Pasmann, John Tramm·Jan 10, 2025SaveLearn
Mapped infinite elements in practiceThis contribution is a technical description of details for implementing infinite elements. The novelty is the closed, analytic form used for most quantities.Tobias Marx·Jan 9, 2025SaveLearn
Enabling GPU Portability into the Numba-JITed Monte Carlo Particle Transport Code MC/DCThe Center for Exascale Monte Carlo Neutron Transport is developing Monte Carlo / Dynamic Code (MC/DC) as a portable Monte Carlo neutron transport package for rapid numerical methods exploration on…Joanna Piper Morgan, Braxton Cuneo, Ilham Variansyah et al.·Jan 9, 2025SaveLearn
Not-Quite-Transcendental Functions For Logarithmic Interpolation of Tabulated DataFrom tabulated nuclear and degenerate equations of state to photon and neutrino opacities, to nuclear reaction rates: tabulated data is ubiquitous in computational astrophysics. The dynamic range…Peter C. Hammond, Jacob M. Fields, Jonah M. Miller et al.·Jan 9, 2025SaveLearn
Efficient computation of particle-fluid and particle-particle interactions in compressible flowParticle collisions are the primary mechanism of inter-particle momentum and energy exchange for dense particle-laden flow. Accurate approximation of this collision operator in four-way coupled…Anna Schwarz, Patrick Kopper, Emilian De Staercke et al.·Jan 9, 2025SaveLearn
Providing Machine Learning Potentials with High Quality Uncertainty EstimatesComputational chemistry has come a long way over the course of several decades, enabling subatomic level calculations particularly with the development of Density Functional Theory (DFT). Recently,…Zeynep Sumer, James L. McDonagh, Clyde Fare et al.·Jan 9, 2025SaveLearn
Constrained Optimization of Charged Particle Tracking with Multi-Agent Reinforcement LearningReinforcement learning demonstrated immense success in modelling complex physics-driven systems, providing end-to-end trainable solutions by interacting with a simulated or real environment,…Tobias Kortus, Ralf Keidel, Nicolas R. Gauger et al.·Jan 9, 2025SaveLearn
Modelling complex proton transport phenomena -- Exploring the limits of fine-tuning and transferability of foundational machine-learned force fieldsThe solid acids CsH2PO4 and Cs7(H4PO4)(H2PO4)8 pose significant challenges for the simulation of proton transport phenomena. In this work, we use the recently developed…Malte Grunert, Max Großmann, Jonas Hänseroth et al.·Jan 8, 2025SaveLearn
Exploring the Expertise of Large Language Models in Materials Science and Metallurgical EngineeringThe integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work is included in an…Christophe Bajan, Guillaume Lambard·Jan 8, 2025SaveLearn
Scalable Discovery of Fundamental Physical Laws: Learning Magnetohydrodynamics from 3D Turbulence DataThe discovery of dynamical models from data represents a crucial step in advancing our understanding of physical systems. Library-based sparse regression has emerged as a powerful method for…Matthew Golden, Kaushik Satapathy, Dimitrios Psaltis·Jan 7, 2025SaveLearn
Physics-Informed Neural Networks for microflows: Rarefied Gas Dynamics in Cylinder ArraysAccurate prediction of rarefied gas dynamics is crucial for optimizing flows through microelectromechanical systems, air filtration devices, and shale gas extraction. Traditional methods, such as…Jean-Michel Tucny, Marco Lauricella, Mihir Durve et al.·Jan 7, 2025SaveLearn
Simulation on the Miniaturization and Performance Improvement Study of Gr/MoS2 Based Vertical Field Effect TransistorVertical field effect transistors (VFETs) show many advantages such as high switching speed, low operating voltage, low power consumption, and miniaturization over lateral FETs. However, VFET still…Sirsendu Ghosh, Anamika Devi Laishram, Pramod Kumar·Jan 7, 2025SaveLearn
The Artificial Scientist -- in-transit Machine Learning of Plasma SimulationsIncreasing HPC cluster sizes and large-scale simulations that produce petabytes of data per run, create massive IO and storage challenges for analysis. Deep learning-based techniques, in particular,…Jeffrey Kelling, Vicente Bolea, Michael Bussmann et al.·Jan 6, 2025SaveLearn
A feature-preserving parallel particle generation method for complex geometriesIn this paper, a Feature-preserving Particle Generation (FPPG) method for arbitrary complex geometry is proposed. Instead of basing on implicit geometries, such as level-set, FPPG employs an explicit…Xingyue Yang, Zhenxiang Nie, Yuxin Dai et al.·Jan 6, 2025SaveLearn
An a-posteriori analysis of co-kurtosis PCA based dimensionality reduction using a neural ODE solverA low-dimensional representation of thermochemical scalars based on cokurtosis principal component analysis (CoK-PCA) has been shown to effectively capture stiff chemical dynamics in reacting flows…Tadikonda Shiva Sai, Hemanth Kolla, Konduri Aditya·Jan 6, 2025SaveLearn
Actuation mechanisms in twisted and coiled polymer actuators using finite element modelTwisted and coiled polymer actuators (TCPAs) offer the advantages of large stroke and large specific work as compared to other actuators. There have been extensive experimental investigations towards…Gurmeet Singh, Qiong Wang, Samuel Tsai et al.·Jan 6, 2025SaveLearn
Accurate calculation of bubble and droplet properties in diffuse-interface two-phase simulationsIn 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…Pranav J. Nathan, Suhas S. Jain·Jan 5, 2025SaveLearn
Adaptive GSIS for rarefied gas flow simulationsThe parallel solver of the general synthetic iterative scheme (GSIS), as recently developed by Zhang et. al. in Comput. Fluids 281 (2024) 106374, is an efficient method to find the solution…Yanbing Zhang, Jianan Zeng, Lei Wu·Jan 4, 2025SaveLearn
Exact Constraint of Density Functional Approximations at the Semiclassical LimitWe introduce the semiclassical limit to electronic systems by taking the limit → 0 in the solution of Schr\"odinger equations. We show that this limit is closely related to one type…Yunzhi Li, Chen Li·Jan 4, 2025SaveLearn
High-throughput calculations of spin Hall conductivity in non-magnetic 2D materialsSpin Hall effect (SHE) in two-dimensional (2D) materials is promising to effectively manipulate spin angular momentum and identify topological properties. In this work, we implemented an automated…Jiaqi Zhou, Samuel Poncé, Jean-Christophe Charlier·Jan 3, 2025SaveLearn
Dual formulation of the maximum entropy method applied to analytic continuation of quantum Monte Carlo dataMany fields of physics use quantum Monte Carlo techniques, but struggle to estimate dynamic spectra via the analytic continuation of imaginary-time quantum Monte Carlo data. One of the most…Thomas Chuna, Nicholas Barnfield, Tobias Dornheim et al.·Jan 3, 2025SaveLearn
An asynchronous discontinuous Galerkin method for combustion simulationsThe discontinuous Galerkin (DG) method has been widely considered in recent years to develop scalable flow solvers for its ability to handle discontinuities, such as shocks and detonations, with…Aswin Kumar Arumugam, Konduri Aditya·Jan 3, 2025SaveLearn
Adomian decomposition method reformulated using dimensionless nonlinear perturbation theoryThe Adomian decomposition method (ADM) is a universal approach to solving governing equations in various engineering and technological applications. The applicability of the ADM is almost limitless…Albert S. Kim·Jan 1, 2025SaveLearn
Adjoint shape optimization from the continuum to free-molecular gas flowsAn adjoint-based shape optimization method for solid bodies subjected to both rarefied and continuum gas flows is proposed. The gas-kinetic BGK equation with the diffuse-reflection boundary condition…Ruifeng Yuan, Lei Wu·Jan 1, 2025SaveLearn