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Numerical modeling simulations and the use of high-performance computing are fundamental for detailed safety analysis, control and operation of a nuclear reactor, allowing the study and analysis of problems related to thermal-hydraulics,…

Computed Tomography (CT) is a key 3D imaging technology that fundamentally relies on the compute-intense back-projection operation to generate 3D volumes. GPUs are typically used for back-projection in production CT devices. However, with…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-04-28 Peng Chen , Mohamed Wahib , Xiao Wang , Shinichiro Takizawa , Takahiro Hirofuchi , Hirotaka Ogawa , Satoshi Matsuoka

The graphics processing unit (GPU) has emerged as a powerful and cost effective processor for general performance computing. GPUs are capable of an order of magnitude more floating-point operations per second as compared to modern central…

Computation · Statistics 2012-07-24 Mark Franey , Pritam Ranjan , Hugh Chipman

Grain boundary (GB) properties greatly influence the mechanical, electrical, and thermal response of polycrystalline materials. Most computational studies of GB properties at finite temperatures use molecular dynamics (MD), which is…

Materials Science · Physics 2025-06-06 Miguel Spínola , Shashank Saxena , Prateek Gupta , Brandon Runnels , Dennis M. Kochmann

In this work, we develop a combined convolutional neural networks (CNNs) and finite element method (FEM) to examine the effective thermal properties of composite phase change materials (CPCMs) consisting of paraffin and copper foam. In this…

Computational Physics · Physics 2021-03-25 Felix Kolodziejczyk , Bohayra Mortazavi , Timon Rabczuk , Xiaoying Zhuang

We apply a recently developed adaptive algorithm that systematically improves the efficiency of parallel tempering or replica exchange methods in the numerical simulation of small proteins. Feedback iterations allow us to identify an…

Quantitative Methods · Quantitative Biology 2007-05-23 Simon Trebst , Matthias Troyer , Ulrich H. E. Hansmann

Despite temperature rise being a first-order design constraint, traditional thermal estimation techniques have severe limitations in modeling critical aspects affecting the temperature in modern-day chips. Existing thermal modeling…

Hardware Architecture · Computer Science 2023-07-25 Hameedah Sultan , Smruti R. Sarangi

CPU simulators are vital for computer architecture research, primarily for estimating performance under different programs. This poses challenges for fast and accurate simulation of modern CPUs, especially in multi-core systems. Modern CPU…

Performance · Computer Science 2025-10-14 Buqing Xu , Jianfeng Zhu , Yichi Zhang , Qinyi Cai , Guanhua Li , Shaojun Wei , Leibo Liu

Large Eddy Simulation is a critical modelling tool for the investigation of atmospheric flows, turbulence and cloud microphysics. The models used by the UK atmospheric research community are homogeneous and the latest model, MONC, is…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-29 Nick Brown , Angus Lepper , Michèle Weiland , Adrian Hill , Ben Shipway , Chris Maynard

We present "torchGDM", a numerical framework for nano-optical simulations based on the Green's Dyadic Method (GDM). This toolkit combines a hybrid approach, allowing for both fully discretized nano-structures and structures approximated by…

This article proposes a novel high-performance computing approach for the prediction of the temperature field in powder bed fusion (PBF) additive manufacturing processes. In contrast to many existing approaches to part-scale simulations,…

Computational Engineering, Finance, and Science · Computer Science 2023-09-18 Sebastian D. Proell , Peter Munch , Martin Kronbichler , Wolfgang A. Wall , Christoph Meier

Accurate prediction of rock thermal conductivity under in-situ conditions is essential for characterizing subsurface heat flow. This study presents a numerical framework based on the Lattice Element Method (LEM) for simulating the effective…

Geophysics · Physics 2025-10-29 Nima Haghighat , Amir S. Sattari , Hem B. Motra , Frank Wuttke

The discontinuous Galerkin (DG) algorithm is a representative high order method in Computational Fluid Dynamics (CFD) area which possesses considerable mathematical advantages such as high resolution, low dissipation, and dispersion.…

Mathematical Software · Computer Science 2022-09-07 Zhe Dai , Liang D , Yueqin Wang , Fang Wang , Li Ming , Jian Zhang

This paper presents a novel approach to event-based power modelling for embedded platforms that do not have a Performance Monitoring Unit (PMU). The method involves complementing the target hardware platform, where the physical power data…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-07 Kris Nikov , Marcos Martinez , Simon Wegener , Jose Nunez-Yanez , Zbigniew Chamski , Kyriakos Georgiou , Kerstin Eder

Molecular dynamics (MD) simulations play an important role in understanding and engineering heat transport properties of complex materials. An essential requirement for reliably predicting heat transport properties is the use of accurate…

Key to being able to accurately model the properties of realistic materials is being able to predict their properties in the thermodynamic limit. Nevertheless, because most many-body electronic structure methods scale as a high-order…

Chemical Physics · Physics 2024-04-04 Edgar Josué Landinez Borda , Kenneth O. Berard , Annette Lopez , Brenda Rubenstein

In this work, we present a methodology using Physics Informed Neural Networks (PINNs) to determine the required velocity of a coolant, given inlet and outlet temperatures for a given heat flux in a multilayered metal-oxide-semiconductor…

Neural and Evolutionary Computing · Computer Science 2026-02-25 Aniruddha Bora , Isabel K. Alvarez , Julie Chalfant , Chryssostomos Chryssostomidis

This paper presents a study of accuracy issues in thermal modeling of high power LED modules on system level. Both physical as well as numerical accuracy issues are addressed. Incorrect physical assumptions may result in seemingly correct,…

Materials Science · Physics 2007-09-13 D. Benoy

This work develops a polygonal finite element method (PFEM) for the analysis of steady-state and transient thermal stresses in two dimensional continua. The method employs Wachspress rational basis functions to construct conforming…

Numerical Analysis · Mathematics 2025-04-23 Yang Yang , Mingjiao Yan , Zongliang Zhang , Dengmiao Hao , Xuedong Chen , Weixiong Chen

In this work we present an efficient implementation of Canonical Monte Carlo simulation for Coulomb many body systems on graphics processing units (GPU). Our method takes advantage of the GPU Single Instruction, Multiple Data (SIMD)…

Computational Physics · Physics 2017-03-13 Yihao Liang , Xiangjun Xing , Yaohang Li