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The growing need for structural materials with strength, mechanical stability, and durability in extreme environments is driving the development of high entropy alloys. These are materials with near equiatomic mixing of five or more…

Materials Science · Physics 2025-09-18 Rahul Bouri , Manikantan R. Nair , Tribeni Roy

This work addresses the inverse identification of apparent elastic properties of random heterogeneous materials using machine learning based on artificial neural networks. The proposed neural network-based identification method requires the…

Machine Learning · Computer Science 2021-02-12 Florent Pled , Christophe Desceliers , Tianyu Zhang

Conventionally, high-throughput computational materials searches start from an input set of bulk compounds extracted from material databases, and this set is screened for candidate materials for specific applications. In contrast, many…

Materials Science · Physics 2023-04-11 Rachel Woods-Robinson , Matthew K. Horton , Kristin A. Persson

Artificial intelligence is gaining strength and materials science can both contribute to and profit from it. In a simultaneous progress race, new materials, systems and processes can be devised and optimized thanks to machine learning…

Materials Science · Physics 2022-09-29 Cefe López

Resorbable magnesium (Mg) alloys are promising candidates for temporary medical devices due to their biodegradability and favorable mechanical properties. To accelerate the design of diluted Mg alloys for implants, we developed a…

Materials Science · Physics 2026-04-23 Vickey Nandal , Vít Beneš , Pavel Baláž , Jiří Ryjáček , Karel Tesař

In this paper, research on AI based modeling technique to optimize development of new alloys with necessitated improvements in properties and chemical mixture over existing alloys as per functional requirements of product is done. The…

Artificial Intelligence · Computer Science 2010-02-08 K. Soorya Prakash , S. S. Mohamed Nazirudeen , M. Joseph Malvin Raj

Machine learning potentials (MLPs) developed from extensive datasets constructed from density functional theory (DFT) calculations have become increasingly appealing for many researchers. This paper presents a framework of polynomial-based…

Materials Science · Physics 2022-09-29 Atsuto Seko

Deep neural networks has been increasingly applied in fault diagnostics, where it uses historical data to capture systems behavior, bypassing the need for high-fidelity physical models. However, despite their competence in prediction tasks,…

Machine Learning · Computer Science 2025-09-24 Arman Mohammadi , Mattias Krysander , Daniel Jung , Erik Frisk

We present a study of possible predictors based on four supervised machine learning models for the prediction of four mechanical properties of the main industrially used steels. The results were obtained from an experimental database…

Machine Learning · Computer Science 2020-04-14 Ciro Javier Diaz Penedo , Lucas Leonardo Silveira Costa

Predicting material properties of 3D printed polymer products is a challenge in additive manufacturing due to the highly localized and complex manufacturing process. The microstructure of such products is fundamentally different from the…

Soft Condensed Matter · Physics 2023-11-01 Caglar Tamur , Shaofan Li , Danielle Zeng

Multi-principal element alloys open large composition spaces for alloy development. The large compositional space necessitates rapid synthesis and characterization to identify promising materials, as well as predictive strategies for alloy…

We search for new superhard B-N-O compounds with an iterative machine learning (ML) procedure, where ML models are trained using sample crystal structures from evolutionary algorithm. We first use cohesive energy to evaluate the…

Materials Science · Physics 2022-06-22 Wei-Chih Chen , Yogesh K. Vohra , Cheng-Chien Chen

Artificial intelligence commonly refers to the science and engineering of artificial systems that can carry out tasks generally associated with requiring aspects of human intelligence, such as playing games, translating languages, and…

Artificial Intelligence · Computer Science 2025-02-11 Andreas Krause , Jonas Hübotter

Proposing new materials by atom substitution based on periodic table similarity is a conventional strategy of searching for materials with desired property. We introduce a machine learning frame work that promotes this paradigm to be…

Materials Science · Physics 2019-04-19 Lei Gu , Ruqian Wu

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem…

Systems and Control · Electrical Eng. & Systems 2025-02-11 Danial Khatamsaz , Joseph Wagner , Brent Vela , Raymundo Arroyave , Douglas L. Allaire

Bolted joints are critical in engineering for maintaining structural integrity and reliability. Accurate prediction of parameters influencing their function and behavior is essential for optimal performance. Traditional methods often fail…

Machine Learning · Computer Science 2025-08-28 Ines Boujnah , Nehal Afifi , Andreas Wettstein , Sven Matthiesen

Machine learning models are increasingly used in many engineering fields thanks to the widespread digital data, growing computing power, and advanced algorithms. Artificial neural networks (ANN) is the most popular machine learning model in…

Materials Science · Physics 2020-10-20 Xin Liu , Su Tian , Fei Tao , Haodong Du , Wenbin Yu

Development of robust concrete mixes with a lower environmental impact is challenging due to natural variability in constituent materials and a multitude of possible combinations of mix proportions. Making reliable property predictions with…

Machine Learning · Computer Science 2023-04-25 Jessica C. Forsdyke , Bahdan Zviazhynski , Janet M. Lees , Gareth J. Conduit

Despite an artificial intelligence-assisted modeling of disordered crystals is a widely used and well-tried method of new materials design, the issues of its robustness, reliability, and stability are still not resolved and even not…

Computational Physics · Physics 2024-11-08 Fedor S. Avilov , Roman A. Eremin , Semen A. Budennyy , Innokentiy S. Humonen

Machine learning interatomic potentials have revolutionized complex materials design by enabling rapid exploration of material configurational spaces via crystal structure prediction with ab initio accuracy. However, critical challenges…