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Deep Material Network (DMN) has recently emerged as a data-driven surrogate model for heterogeneous materials. Given a particular microstructural morphology, the effective linear and nonlinear behaviors can be successfully approximated by…

Computational Engineering, Finance, and Science · Computer Science 2023-12-15 Tianyi Li

Tool flank wear monitoring can minimize machining downtime costs while increasing productivity and product quality. In some industrial applications, only a limited level of tool wear is allowed to attain necessary tolerances. It may become…

Signal Processing · Electrical Eng. & Systems 2022-12-29 D. Bilgili , G. Kecibas , C. Besirova , M. R. Chehrehzad , G. Burun , T. Pehlivan , U. Uresin , E. Emekli , I. Lazoglu

The mechanical properties of a material are intimately related to its microstructure. This is particularly important for predicting mechanical behavior of polycrystalline metals, where microstructural variations dictate the expected…

Materials Science · Physics 2024-01-23 Yejun Gu , Christopher D. Stiles , Jaafar A. El-Awady

Magnesium alloys are emerging as promising alternatives to traditional orthopedic implant materials thanks to their biodegradability, biocompatibility, and impressive mechanical characteristics. However, their rapid in-vivo degradation…

Monolayer transition metal dichalcogenides (TMDs) are known to be highly sensitive to externally applied tensile or compressive strain. In particular, strain can be exploited as a tool to control the optical response of TMDs. However, the…

Mesoscale and Nanoscale Physics · Physics 2019-03-19 Zahra Khatibi , Maja Feierabend , Malte Selig , Samuel Brem , Christopher Linderälv , Paul Erhart , Ermin Malic

Low-dimensional (LD) transition metal dichalcogenides (TMDs) in the form of nanoflakes, which consist of one or several layers, are the subject of intensive fundamental and applied research. Due to the size-induced transition from a bulk to…

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…

The enormous structural and chemical diversity of metal-organic frameworks (MOFs) forces researchers to actively use simulation techniques on an equal footing with experiments. MOFs are widely known for outstanding adsorption properties, so…

Materials Science · Physics 2021-11-22 Vadim V. Korolev , Yurii M. Nevolin , Thomas A. Manz , Pavel V. Protsenko

The prediction of mechanical and thermal properties of polymers is a critical aspect for polymer development. Herein, we discuss the use of transfer learning approach to predict multiple properties of linear polymers. The neural network…

Soft Condensed Matter · Physics 2024-01-18 Elaheh Kazemi-Khasragh , Carlos Gonzaleza , Maciej Haranczyk

Accelerating the design of materials with targeted properties is one of the key materials informatics tasks. The most common approach takes a data-driven motivation, where the underlying knowledge is incorporated in the form of…

Materials Science · Physics 2022-09-28 Shunshun Liu , Kyungtae Lee , Prasanna V. Balachandran

In this study, we present a machine learning (ML) framework to predict the axial load-bearing capacity, (kN), of cold-formed steel structural members. The methodology emphasizes robust model selection and interpretability, addressing the…

Transition metal dichalcogenides (TMDs) are layered semiconducting van der Waal crystals and promising materials for a wide range of electronic and optoelectronic devices. Realizing practical electrical and optoelectronic device…

Mesoscale and Nanoscale Physics · Physics 2019-08-05 Hao Lee , S. Deshmukh , Jing Wen , V. Z. Costa , J. S. Schuder , M. Sanchez , A. S. Ichimura , Eric Pop , Bin Wang , A. K. M. Newaz

Laser machining is a highly flexible non-contact manufacturing technique that has been employed widely across academia and industry. Due to nonlinear interactions between light and matter, simulation methods are extremely crucial, as they…

Computational Engineering, Finance, and Science · Computer Science 2023-01-04 Razyeh Behbahani , Hamidreza Yazdani Sarvestani , Erfan Fatehi , Elham Kiyani , Behnam Ashrafi , Mikko Karttunen , Meysam Rahmat

Understanding structure-property relationships in complex materials requires integrating complementary measurements across multiple length scales. Here we propose an interpretable "multimodal" machine learning framework that unifies…

Materials Science · Physics 2026-02-03 Shun Muroga , Hideaki Nakajima , Taiyo Shimizu , Kazufumi Kobashi , Kenji Hata

Current system thermal-hydraulic codes have limited credibility in simulating real plant conditions, especially when the geometry and boundary conditions are extrapolated beyond the range of test facilities. This paper proposes a…

Machine Learning · Computer Science 2020-01-14 Han Bao , Nam Dinh , Linyu Lin , Robert Youngblood , Jeffrey Lane , Hongbin Zhang

Accurate diagnosis of power transformer faults is essential for ensuring the stability and safety of electrical power systems. This study presents a comparative analysis of conventional machine learning (ML) algorithms and deep learning…

Machine Learning · Computer Science 2025-05-13 Bhuvan Saravanan , Pasanth Kumar M D , Aarnesh Vengateson

Machine learning (ML) models have emerged as powerful tools for accelerating materials discovery and design by enabling accurate predictions of properties from compositional and structural data. These capabilities are vital for developing…

We introduce GlassMLP, a machine learning framework using physics-inspired structural input to predict the long-time dynamics in deeply supercooled liquids. We apply this deep neural network to atomistic models in 2D and 3D. Its performance…

Soft Condensed Matter · Physics 2023-09-29 Gerhard Jung , Giulio Biroli , Ludovic Berthier

The elementary excitations in metallic glasses (MGs), i.e., $\beta$ processes that involve hopping between nearby sub-basins, underlie many unusual properties of the amorphous alloys. A high-efficacy prediction of the propensity for those…

Materials Science · Physics 2020-06-25 Qi Wang , Jun Ding , Evan Ma

DFT+U is a widely used treatment in the density functional theory (DFT) to deal with correlated materials that contain open-shell elements, whereby the quantitative and sometimes even qualitative failures of local and semilocal…

Computational Physics · Physics 2024-02-09 Zhendong Cao , Guanghui Cai , Fankai Xie , Huaxian Jia , Wei Liu , Yaxian Wang , Feng Liu , Xinguo Ren , Sheng Meng , Miao Liu