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Accurate prediction of temperature evolution is essential for understanding thermomechanical behavior in friction stir welding. In this study, molecular dynamics simulations were performed using LAMMPS to model aluminum friction stir…

材料科学 · 物理学 2025-12-29 Akshansh Mishra

The computational resources required to solve the full 3D inversion of time-domain electromagnetic data are immense. To overcome the time-consuming 3D simulations, we construct a surrogate model, more precisely, a data-driven statistical…

地球物理 · 物理学 2024-07-10 Wouter Deleersnyder , David Dudal , Thomas Hermans

We propose a deep neural network (DNN) as a fast surrogate model for local stress (and in principle strain) calculation in inhomogeneous non-linear material systems. We show that the DNN predicts the local stresses with about 3.8% mean…

材料科学 · 物理学 2021-03-17 Jaber Rezaei Mianroodi , Nima H. Siboni , Dierk Raabe

Modeling atmospheric chemistry is computationally expensive and limits the widespread use of atmospheric chemical transport models. This computational cost arises from solving high-dimensional systems of stiff differential equations.…

计算物理 · 物理学 2024-01-12 Xiaokai Yang , Lin Guo , Zhonghua Zheng , Nicole Riemer , Christopher W. Tessum

The properties of films assembled by drying colloidal-particle suspensions depend sensitively on both the particles and the processing conditions, making them challenging to engineer. In this work, we develop and test an inverse-design…

软凝聚态物质 · 物理学 2025-09-16 Mayukh Kundu , Michaela Bush , Chris A. Kieslich , Michael P. Howard

The appearance of generative models has opened vast chemical spaces in the design of functional materials. Although machine learning interatomic potentials (MLIPs) have substantially accelerated phonon calculations, high-fidelity prediction…

We introduce a deep learning accelerated methodology to solve PDE-based Bayesian inverse problems with guaranteed accuracy. This is motivated by the ill-posed problem of inferring a spatio-temporal heat-flux parameter known as the Biot…

数值分析 · 数学 2023-06-06 Teo Deveney , Eike Mueller , Tony Shardlow

High-performance scientific simulations, important for comprehension of complex systems, encounter computational challenges especially when exploring extensive parameter spaces. There has been an increasing interest in developing deep…

Scientific computing for large deformation of elastic-plastic solids is critical for numerous real-world applications. Classical numerical solvers rely primarily on local discrete linear approximation and are constrained by an inherent…

机器学习 · 计算机科学 2025-06-09 Shilong Tao , Zhe Feng , Haonan Sun , Zhanxing Zhu , Yunhuai Liu

In Bayesian inverse problems, surrogate models are often constructed to speed up the computational procedure, as the parameter-to-data map can be very expensive to evaluate. However, due to the curse of dimensionality and the nonlinear…

数值分析 · 数学 2020-03-03 Liang Yan , Tao Zhou

The prediction of phase diagrams in the search for new phases is a complex and computationally intensive task. Density functional theory provides, in many situations, the desired accuracy, but its throughput becomes prohibitively limited as…

材料科学 · 物理学 2023-09-19 Michael Minotakis , Hugo Rossignol , Matteo Cobelli , Stefano Sanvito

Data-driven constitutive modeling is an emerging field in computational solid mechanics with the prospect of significantly relieving the computational costs of hierarchical computational methods. Traditionally, these surrogates have been…

计算工程、金融与科学 · 计算机科学 2022-04-20 Jan Niklas Fuhg , Nikolaos Bouklas

Deep convolutional neural networks have demonstrated promising performance on image classification tasks, but the manual design process becomes more and more complex due to the fast depth growth and the increasingly complex topologies of…

计算机视觉与模式识别 · 计算机科学 2020-07-06 Bin Wang , Bing Xue , Mengjie Zhang

Data-driven surrogate modeling has emerged as a promising approach for reducing computational expenses of multiscale simulations. Recurrent Neural Network (RNN) is a common choice for modeling of path-dependent behavior. However, previous…

计算工程、金融与科学 · 计算机科学 2023-12-29 Yangzi He , Shabnam J. Semnani

The time-dependent deformation of concrete, particularly creep, remains a key challenge for reliable and material-efficient design. Experimental results show that tailored preloading, short-term loads exceeding the subsequent sustained…

计算工程、金融与科学 · 计算机科学 2026-04-29 Leonie Heller , Christopher Taube , Gledson Rodrigo Tondo , Guido Morgenthal

Surrogate machine-learning models are transforming computational materials science by predicting properties of materials with the accuracy of ab initio methods at a fraction of the computational cost. We demonstrate surrogate models that…

Climate change necessitates rapid expansion of renewable energy, with wind energy offering a scalable and low-impact solution. However, accurate prediction of wind loads and power generation remains challenging due to uncertainties in wind…

流体动力学 · 物理学 2026-04-30 Omar Sallam , Mirjam Fürth

This paper presents a probabilistic surrogate model for the accelerated design of electric vehicle battery enclosures with a focus on crash performance. The study integrates high-throughput finite element simulations and Gaussian Process…

机器学习 · 计算机科学 2024-08-08 Shadab Anwar Shaikh , Harish Cherukuri , Kranthi Balusu , Ram Devanathan , Ayoub Soulami

Surrogate modeling is a viable solution for applications involving repetitive evaluations of expensive computational fluid dynamics models, such as uncertainty quantification and inverse problems. This study proposes a multi-layer…

流体动力学 · 物理学 2024-06-24 Gurpreet S. Hora , Marco G. Giometto

Conjugate heat transfer (CHT) analyses are vital for the design of many energy systems. However, high-fidelity CHT numerical simulations are computationally intensive, which limits their applications such as design optimization, where…

计算工程、金融与科学 · 计算机科学 2024-12-19 Takiah Ebbs-Picken , David A. Romero , Carlos M. Da Silva , Cristina H. Amon