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The mechanical properties are essential for structural materials. The analyzed 360 data on four mechanical properties of steels, viz. fatigue strength, tensile strength, fracture strength, and hardness, are selected from the NIMS database,…

Applied Physics · Physics 2021-01-05 Jie Xiong , Tong-Yi Zhang , San-Qiang Shi

Owing to its high scalability and computational efficiency, machine learning methods have been increasingly integrated into various scientific research domains, including ab initio-based materials design. It has been demonstrated that, by…

Materials Science · Physics 2025-10-16 Feng Chen , Shu Li , Xin Chen , Dennis Wong , Biplab Sanyal , Duo Wang

In this work, we discuss use of machine learning techniques for rapid prediction of detonation properties including explosive energy, detonation velocity, and detonation pressure. Further, analysis is applied to individual molecules in…

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

Materials properties depend strongly on chemical composition, i.e., the relative amounts of each chemical element. Changes in composition lead to entirely different chemical arrangements, which vary in complexity from perfectly ordered…

Materials Science · Physics 2025-06-24 Killian Sheriff , Daniel Xiao , Yifan Cao , Lewis R. Owen , Rodrigo Freitas

Artificial Intelligence and Machine Learning algorithms have considerable potential to influence the prediction of material properties. Additive materials have a unique property prediction challenge in the form of surface roughness effects…

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

Advances in machine learning have impacted myriad areas of materials science, ranging from the discovery of novel materials to the improvement of molecular simulations, with likely many more important developments to come. Given the rapid…

Materials Science · Physics 2020-06-26 Dane Morgan , Ryan Jacobs

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

Laser material processing has emerged as a versatile and indispensable tool in various industries, including manufacturing, healthcare, and materials science. However, the interaction of a lasers with surfaces is highly dependent on a large…

Materials Science · Physics 2026-04-15 Christoph Zwahr , Frederic Schell , Tobias Steege , Andrés Fabián Lasagni

This short paper presents the potential of using machine learning to predict materials behaviour in the context of hydrogen interaction with steel. Effort has been made to understand the quality, and amount of data needed to get improved…

Materials Science · Physics 2021-10-22 M. Amir Siddiq

The understanding of the material properties of the layered transition metal dichalcogenides (TMDs) is critical for their applications in structural composites. The data-driven machine learning (ML) based approaches are being developed in…

Fueled by the widespread adoption of Machine Learning (ML) and the high-throughput screening of materials, the data-centric approach to materials design has asserted itself as a robust and powerful tool for the in-silico prediction of…

Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…

Materials Science · Physics 2022-06-22 Udaykumar Gajera , Loriano Storchi , Danila Amoroso , Francesco Delodovici , Silvia Picozzi

Large Language Models (LLMs) have the potential to revolutionize scientific research, yet their robustness and reliability in domain-specific applications remain insufficiently explored. In this study, we evaluate the performance and…

Computation and Language · Computer Science 2025-08-15 Hongchen Wang , Kangming Li , Scott Ramsay , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Recent improvements in additive manufacturing and high-throughput material synthesis have enabled the discovery of novel metallic materials for extreme environments. However, high-fidelity testing of advanced mechanical properties such as…

Materials Science · Physics 2025-02-20 C. Bean , M. Calvat , Y. Nie , R. L Black , N. Velisavljevic , D. Anjaria , M. A. Charpagne , J. C. Stinville

Thermoelectric materials can generate clean energy by transforming waste heat into electricity. The effectiveness of thermoelectric materials is measured by the dimensionless figure of merit, ZT. The quest for high ZT materials has drawn…

Materials Science · Physics 2025-09-03 Chung T. Ma , S. Joseph Poon

Recent advancements in machine learning have showcased its potential to significantly accelerate the discovery of new materials. Central to this progress is the development of rapidly computable property predictors, enabling the…

Materials Science · Physics 2024-04-16 Kohei Noda , Araki Wakiuchi , Yoshihiro Hayashi , Ryo Yoshida

Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…

Materials Science · Physics 2020-10-12 Sen Liu , Branden B. Kappes , Behnam Amin-ahmadi , Othmane Benafan , Xiaoli Zhang , Aaron P. Stebner

Biological systems offer a great many examples of how sophisticated, highly adapted behavior can emerge from training. Here we discuss how training might be used to impart similarly adaptive properties in physical matter. As a special form…

Soft Condensed Matter · Physics 2024-03-12 Heinrich M. Jaeger , Arvind Murugan , Sidney R. Nagel