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Effective thermal conductivity is an important property of composites for different thermal management applications. Although physics-based methods, such as effective medium theory and solving partial differential equation, dominate the…

Computational Physics · Physics 2019-04-15 Qingyuan Rong , Han Wei , Hua Bao

We explore the application of computer vision and machine learning (ML) techniques to predict material properties (e.g. compressive strength) based on SEM images. We show that it's possible to train ML models to predict materials…

A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the…

Computational Physics · Physics 2025-07-25 Mohammad Saber Hashemi , Masoud Safdari , Azadeh Sheidaei

Permeability is a central concept in the macroscopic description of flow through porous media, with applications spanning from oil recovery to hydrology. Traditional methods for determining the permeability tensor involving flow simulations…

Fluid Dynamics · Physics 2025-12-02 Sigurd Vargdal , Paula Reis , Henrik Andersen Sveinsson , Gaute Linga

We present a deep learning approach for quantifying and localizing ex-situ porosity within Laser Powder Bed Fusion fabricated samples utilizing in-situ thermal image monitoring data. Our goal is to build the real time porosity map of parts…

Computer Vision and Pattern Recognition · Computer Science 2026-01-01 Peter Myung-Won Pak , Francis Ogoke , Andrew Polonsky , Anthony Garland , Dan S. Bolintineanu , Dan R. Moser , Michael J. Heiden , Amir Barati Farimani

Mesoscale simulations of woven composites using parameterized analytical geometries offer a way to connect constituent material properties and their geometric arrangement to effective composite properties and performance. However, the…

Materials Science · Physics 2023-02-21 Collin W. Foster , Lincoln N. Collins , Francesco Panerai , Scott A. Roberts

We investigated the accelerated prediction of the thermal conductivity of materials through end- to-end structure-based approaches employing machine learning methods. Due to the non-availability of high-quality thermal conductivity data, we…

Materials Science · Physics 2023-11-07 Yagyank Srivastava , Ankit Jain

The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…

Superconductivity · Physics 2023-01-26 Lazar Novakovic , Ashkan Salamat , Keith V. Lawler

Quantitative descriptions of the structure-thermal property correlation have been a bottleneck in designing materials with superb thermal properties. In the past decade, the first-principles phonon calculations using density functional…

Materials Science · Physics 2021-10-19 Xin Qian , Ronggui Yang

In this paper, we attempt to employ convolutional recurrent neural networks for weather temperature estimation using only image data. We study ambient temperature estimation based on deep neural networks in two scenarios a) estimating…

Computer Vision and Pattern Recognition · Computer Science 2018-01-26 Wei-Ta Chu , Kai-Chia Ho , Ali Borji

Machine learning algorithms have been available since the 1990s, but it is much more recently that they have come into use also in the physical sciences. While these algorithms have already proven to be useful in uncovering new properties…

Computational Physics · Physics 2020-05-13 Higor Y. D. Sigaki , Ervin K. Lenzi , Rafael S. Zola , Matjaz Perc , Haroldo V. Ribeiro

Tensile tests at room temperature are performed using molecular dynamics on all configurations of single-walled carbon nanotubes up to 4 nm in diameter. Distributions of the Young's modulus, Poisson's ratio, ultimate tensile strength and…

Applied Physics · Physics 2021-09-08 Marko Canadija

Recording atomic-resolution transmission electron microscopy (TEM) images is becoming increasingly routine. A new bottleneck is then analyzing this information, which often involves time-consuming manual structural identification. We have…

We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centred auxiliary basis, which enables an accurate expansion of the all-electron density in…

Chemical Physics · Physics 2021-11-10 Alan M. Lewis , Andrea Grisafi , Michele Ceriotti , Mariana Rossi

A deep neural network was developed for the purpose of predicting thermal conductivity with a case study performed on neutron irradiated nuclear fuel. Traditional thermal conductivity modeling approaches rely on existing theoretical…

Materials Science · Physics 2019-01-04 Elizabeth Kautz , Alexander Hagen , Jesse Johns , Douglas Burkes

Increasing the degree of digitisation and automation in the concrete production process can play a crucial role in reducing the CO$_2$ emissions that are associated with the production of concrete. In this paper, a method is presented that…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Max Meyer , Amadeus Langer , Max Mehltretter , Dries Beyer , Max Coenen , Tobias Schack , Michael Haist , Christian Heipke

In order to make accurate predictions of material properties, current machine-learning approaches generally require large amounts of data, which are often not available in practice. In this work, an all-round framework is presented which…

Materials Science · Physics 2021-07-09 Pierre-Paul De Breuck , Geoffroy Hautier , Gian-Marco Rignanese

Finishing operations on large-scale composite components like wind turbine blades, including trimming and sanding, often require multiple workers and part repositioning. In the composites manufacturing industry, automation of such processes…

Machine learning has emerged as a potent computational tool for expediting research and development in solid oxide fuel cell electrodes. The effective application of machine learning for performance prediction requires transforming…

Materials Science · Physics 2025-03-19 Maksym Szemer , Szymon Buchaniec , Tomasz Prokop , Grzegorz Brus

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
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