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Parallel tempering is a meta-algorithm for Markov Chain Monte Carlo that uses multiple chains to sample from tempered versions of the target distribution, enhancing mixing in multi-modal distributions that are challenging for traditional…

Computation · Statistics 2024-12-30 Daniel Zhao , Natesh S. Pillai

Triply Periodic Minimal Surface (TPMS) structures are attracting growing attention as promising geometries for next-generation high-performance heat exchangers (HXs), due to their continuous flow paths and high surface-area-to-volume ratio…

Optimization and Control · Mathematics 2025-10-14 Kaito Ohtani , Hiroki Kawabe , Kentaro Yaji , Kikuo Fujita , Vikrant Aute

In this paper, we first establish a new fractional magnetohydrodynamic (MHD) coupled flow and heat transfer model for a generalized second-grade fluid. This coupled model consists of a fractional momentum equation and a heat conduction…

Numerical Analysis · Mathematics 2022-11-29 Xiaoqing Chi , Hui Zhang , Xiaoyun Jiang

We investigate the properties of the Hybrid Monte-Carlo algorithm (HMC) in high dimensions. HMC develops a Markov chain reversible w.r.t. a given target distribution $\Pi$ by using separable Hamiltonian dynamics with potential $-\log\Pi$.…

This paper presents a method of performing topology optimisation of transient heat conduction problems using the parallel-in-time method Parareal. To accommodate the adjoint analysis, the Parareal method was modified to store intermediate…

Computational Engineering, Finance, and Science · Computer Science 2024-12-02 Magnus Appel , Joe Alexandersen

Microstructures forming during ternary eutectic directional solidification processes have significant influence on the macroscopic mechanical properties of metal alloys. For a realistic simulation, we use the well established…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-06-05 Martin Bauer , Johannes Hötzer , Philipp Steinmetz , Marcus Jainta , Marco Berghoff , Florian Schornbaum , Christian Godenschwager , Harald Köstler , Britta Nestler , Ulrich Rüde

We develop a stochastic path-integral approach for predicting the superconducting transition temperatures of anharmonic solids. By defining generalized Bloch basis, we generalize the formalism of the stochastic path-integral approach, which…

Superconductivity · Physics 2022-11-02 Haoran Chen , Junren Shi

Optimizing metamaterials with complex geometries is a big challenge. Although an active learning algorithm, combining machine learning (ML), quantum computing, and optical simulation, has emerged as an efficient optimization tool, it still…

Quantum Physics · Physics 2024-05-06 Seongmin Kim , In-Saeng Suh

Frequency-domain thermoreflectance (FDTR) is a widely used technique for characterizing thermal properties of multilayer thin films. However, extracting multiple parameters from FDTR measurements presents a nonlinear inverse problem due to…

Neural and Evolutionary Computing · Computer Science 2025-12-02 Bingjia Xiao , Tao Chen , Wenbin Zhang , Xin Qian , Puqing Jiang

In this paper, we propose and analyze a new semi-implicit stochastic multiscale method for the radiative heat transfer problem with additive noise fluctuation in composite materials. In the proposed method, the strong nonlinearity term…

Numerical Analysis · Mathematics 2026-05-12 Shan Zhang , Yajun Wang , Xiaofei Guan

We investigate a stochastic heat engine based on an over-damped particle diffusing on the positive real axis in an externally driven time-periodic log-harmonic potential. The periodic driving is composed of two isothermal and two adiabatic…

Statistical Mechanics · Physics 2014-05-28 Viktor Holubec

In periodic systems, the Hartree-Fock (HF) exchange energy exhibits the slowest convergence of all HF energy components as the system size approaches the thermodynamic limit. We demonstrate that the recently proposed staggered mesh method…

Computational Physics · Physics 2024-02-22 Stephen Jon Quiton , Hamlin Wu , Xin Xing , Lin Lin , Martin Head-Gordon

Effective power and thermal management are essential for ensuring battery efficiency, safety, and longevity in Connected and Automated Electric Vehicles (CAEVs). However, real-time implementation is challenging due to the multi-timescale…

Systems and Control · Electrical Eng. & Systems 2024-11-11 Dongjun Li , Qiuhao Hu , Weiran Jiang , Haoxuan Dong , Ziyou Song

This paper presents Space-Time MultiGrid (STMG) methods which are suitable for performing topology optimisation of transient heat conduction problems. The proposed methods use a pointwise smoother and uniform Cartesian space-time meshes.…

Computational Engineering, Finance, and Science · Computer Science 2025-05-16 Magnus Appel , Joe Alexandersen

For manufacturing of aerospace composites, several parts may be processed simultaneously using convective heating in an autoclave. Due to uncertainties including tool placement, convective Boundary Conditions (BCs) vary in each run. As a…

Machine Learning · Computer Science 2021-07-20 Keith D. Humfeld , Dawei Gu , Geoffrey A. Butler , Karl Nelson , Navid Zobeiry

We studied the anharmonic modal contributions to heat transfer at the interface of crystalline Si and amorphous SiO2 using the recently proposed interface conductance modal analysis (ICMA) method. Our results show that ~74% of the thermal…

Materials Science · Physics 2018-07-19 Kiarash Gordiz , Murali Gopal Muraleedharan , Asegun Henry

An extension of the multi-level hp Finite Cell Method is proposed for the simulation of thermoviscoplastic problems with temperature-dependent material behavior. The approach combines hierarchical adaptive refinement with a non-negative…

Numerical Analysis · Mathematics 2026-04-20 Jan Niklas Schmäke , Oliver Wege , Martin Ruess

Efficient thermal transport across solid-liquid interfaces is essential for optimizing heat dissipation in modern technological applications. This study employs molecular dynamics (MD) simulations to investigate the impact of surface…

Atomic and Molecular Clusters · Physics 2025-11-27 Viktor Mandrolko , Konstantinos Termentzidis , David Lacroix , Mykola Isaiev

We propose a numerical approach for solving conjugate heat transfer problems using the finite volume method. This approach combines a semi-implicit scheme for fluid flow, governed by the incompressible Navier-Stokes equations, with an…

Numerical Analysis · Mathematics 2025-03-18 Liang Fang , Xiandong Liu , Lei Zhang

The tempered Lefschetz thimble method (TLTM) is a parallel-tempering algorithm towards solving the numerical sign problem, where the system is tempered by the antiholomorphic gradient flow to tame both the sign and ergodicity problems…

High Energy Physics - Lattice · Physics 2020-02-14 Masafumi Fukuma , Nobuyuki Matsumoto , Naoya Umeda