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Machine learning (ML) models for predicting gas permeability through polymers have traditionally relied on experimental data. While these models exhibit robustness within familiar chemical domains, reliability wanes when applied to new…

Materials Science · Physics 2024-06-24 Brandon K. Phan , Kuan-Hsuan Shen , Rishi Gurnani , Huan Tran , Ryan Lively , Rampi Ramprasad

Turbulent fluctuations of the atmospheric refraction index, so-called optical turbulence, can significantly distort propagating laser beams. Therefore, modeling the strength of these fluctuations ($C_n^2$) is highly relevant for the…

Atmospheric and Oceanic Physics · Physics 2023-08-11 Maximilian Pierzyna , Rudolf Saathof , Sukanta Basu

Predicting the dissolution rates of silicate glasses in aqueous conditions is a complex task as the underlying mechanism(s) remain poorly understood and the dissolution kinetics can depend on a large number of intrinsic and extrinsic…

Disordered Systems and Neural Networks · Physics 2018-03-14 N. M. Anoop Krishnan , Sujith Mangalathu , Morten M. Smedskjaer , Adama Tandia , Henry Burton , Mathieu Bauchy

We introduce an accurate and efficient method for characterizing surface wetting and interfacial properties, such as the contact angle made by a liquid droplet on a solid surface, and the vapor-liquid surface tension of a fluid. The method…

Soft Condensed Matter · Physics 2018-11-14 Hao Jiang , Suruchi Fialoke , Zachariah Vicars , Amish J. Patel

Machine learning has emerged as an attractive alternative to experiments and simulations for predicting material properties. Usually, such an approach relies on specific domain knowledge for feature design: each learning target requires…

Materials Science · Physics 2020-03-10 Aditi S. Krishnapriyan , Maciej Haranczyk , Dmitriy Morozov

The shape of a weld bead is critical in assessing the quality of the welded joint. In particular, this has a major impact in the accuracy of the results obtained from a numerical analysis. This study focuses on the statistical design…

Machine Learning · Computer Science 2022-06-08 R. Pradhan , A. P Joshi , M. R Sunny , A. Sarkar

The characterization of the wetting on superhydrophobic surfaces is rather complex. Usual contact angle experiments are difficult to perform and the lateral movement of droplets as well as the pinning at point defects on the surface can…

This study proposes a methodology to utilize machine learning (ML) for topology optimization of periodic lattice structures. In particular, we investigate data representation of lattice structures used as input data for ML models to improve…

Optimization and Control · Mathematics 2024-11-22 Tomoya Matsuoka , Makoto Ohsaki , Kazuki Hayashi

Progress in the application of machine learning (ML) methods to materials design is hindered by the lack of understanding of the reliability of ML predictions, in particular for the application of ML to small data sets often found in…

Materials Science · Physics 2023-04-06 Evan M. Askanazi , Emanuel A. Lazar , Ilya Grinberg

Predicting the adsorption affinity of a small molecule to a target surface is of importance to a range of fields, from catalysis to drug delivery and human safety, but a complex task to perform computationally when taking into account the…

Chemical Physics · Physics 2022-11-16 Ian Rouse , Vladimir Lobaskin

Surface modification results in substantial improvement in pool boiling heat transfer. Thin film-coated and porous-coated substrates, through different materials and techniques, significantly boost heat transfer through increased nucleation…

Applied Physics · Physics 2025-06-24 Vijay Kuberan , Sateesh Gedupudi

The predictive capabilities of machine learning (ML) models used in materials discovery are typically measured using simple statistics such as the root-mean-square error (RMSE) or the coefficient of determination ($r^2$) between…

Machine learning-based lithography hotspot detection has been deeply studied recently, from varies feature extraction techniques to efficient learning models. It has been observed that such machine learning-based frameworks are providing…

Machine Learning · Computer Science 2019-12-13 Haoyu Yang , Wen Chen , Piyush Pathak , Frank Gennari , Ya-Chieh Lai , Bei Yu

Accelerated design of novel hard coating materials requires state-of-the-art computational tools, which include data-driven techniques, building databases, and training machine learning models against the databases. In this work, we present…

Materials Science · Physics 2021-11-24 H. Levämäki , F. Tasnadi , D. G. Sangiovanni , L. J. S. Johnson , R. Armiento , I. A. Abrikosov

Recently, there has been a growing interest in applying machine learning methods to problems in engineering mechanics. In particular, there has been significant interest in applying deep learning techniques to predicting the mechanical…

Machine Learning · Computer Science 2023-03-15 Saeed Mohammadzadeh , Peerasait Prachaseree , Emma Lejeune

The lattice thermal conductivity ($\kappa_{\rm L} $) is a critical property of thermoelectrics, thermal barrier coating materials and semiconductors. While accurate empirical measurements of $\kappa_{\rm L} $ are extremely challenging, it…

Materials Science · Physics 2019-08-06 Lihua Chen , Huan Tran , Rohit Batra , Chiho Kim , Rampi Ramprasad

Predicting the melting temperature (Tm) of multi-component and high-entropy alloys (HEAs) is critical for high-temperature applications but computationally expensive using traditional CALPHAD or DFT methods. In this work, we develop a…

Materials Science · Physics 2026-01-08 Mohd Hasnain

Automation and high-throughput characterization and synthesis for material development are becoming increasingly common; these approaches require machine learning (ML) tools to assess material properties, ideally based on a single…

Materials Science · Physics 2025-12-17 Frank M. Abel , Paige Burke , Daniel Wines , Brian Donovan , Michelle E. Jamer , Kamal Choudhary

Meshfree particle methods, such as Smoothed Particle Hydrodynamics (SPH) and the Moving Particle Semi-Implicit (MPS) method, are widely used to simulate complex free-surface and multiphase flows. A key challenge in these methods is the…

Computational Physics · Physics 2025-10-22 Nariman Mehranfar , Ahmad Shakibaeinia

Modern time-domain surveys continuously monitor large swaths of the sky to look for astronomical variability. Astrophysical discovery in such data sets is complicated by the fact that detections of real transient and variable sources are…

Instrumentation and Methods for Astrophysics · Physics 2015-06-11 Henrik Brink , Joseph W. Richards , Dovi Poznanski , Joshua S. Bloom , John Rice , Sahand Negahban , Martin Wainwright
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