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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

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…

While traditional trial-and-error methods for designing amorphous alloys are costly and inefficient, machine learning approaches based solely on composition lack critical atomic structural information. Machine learning interatomic…

Materials Science · Physics 2025-08-19 Xuhe Gong , Hengbo Zhao , Xiao Fu , Jingchen Lian , Qifan Yang , Ran Li , Ruijuan Xiao , Tao Zhang , Hong Li

The development and implementation of the methods for designing amorphous metal alloys with desired mechanical properties is one of the most promising areas of modern materials science. Here, the machine learning methods appear to be a…

Materials Science · Physics 2023-06-16 B. N. Galimzyanov , M. A. Doronina , A. V. Mokshin

An artificial intelligence tool is exploited to discover and characterize a new molybdenum-base alloy that is the most likely to simultaneously satisfy targets of cost, phase stability, precipitate content, yield stress, and hardness.…

Materials Science · Physics 2018-03-05 B. D. Conduit , N. G. Jones , H. J. Stone , G. J. Conduit

The discovery of advanced metallic alloys is hindered by vast composition spaces, competing property objectives, and real-world constraints on manufacturability. Here we introduce MATAI, a generalist machine learning framework for property…

The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

Artificial Intelligence · Computer Science 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler

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

In computational materials science, a common means for predicting macroscopic (e.g., mechanical) properties of an alloy is to define a model using combinations of descriptors that depend on some material properties (elastic constants,…

Materials Science · Physics 2022-10-17 Ivan Novikov , Olga Kovalyova , Alexander Shapeev , Max Hodapp

Magnesium (Mg) alloys have shown great prospects as both structural and biomedical materials, while poor corrosion resistance limits their further application. In this work, to avoid the time-consuming and laborious experiment trial, a…

Materials Science · Physics 2022-01-25 Yaowei Wang , Tian Xie , Qingli Tang , Mingxu Wang , Tao Ying , Hong Zhu , Xiaoqin Zeng

High-temperature alloy design requires a concurrent consideration of multiple mechanisms at different length scales. We propose a workflow that couples highly relevant physics into machine learning (ML) to predict properties of complex…

Materials Science · Physics 2020-09-04 Jian Peng , Yukinori Yamamoto , Jeffrey A. Hawk , Edgar Lara-Curzio , Dongwon Shin

Titanium alloys are promising candidates for orthopedic implants due to their mechanical resilience and biocompatibility. Current titanium alloys in orthopedic implants still suffer from low wear and corrosion resistance. Here, we present a…

Medical Physics · Physics 2023-07-06 Noel Siony , Long Vuong , Otgonsuren Lundaajamts , Sara Kadkhodaei

Traditionally, yield strength prediction relies on detailed and resource-intensive microstructural characterization combined with empirical equations. However, quantifying microstructural feature length scales for novel processes like…

Materials Science · Physics 2024-12-12 Abhinav Chandraker , Sampad Barik , Nichenametla Jai Sai , Ankur Chauhan

Density functional theory and its optimization algorithm are the main methods to calculate the properties in the field of materials. Although the calculation results are accurate, it costs a lot of time and money. In order to alleviate this…

Materials Science · Physics 2021-09-21 Houchen Zuo , Yongquan Jiang , Yan Yang , Jie Hu

This study examines the application of machine learning algorithms, specifically the Random Forest regression model, to optimize the magnetocaloric effect in all-d-metal Heusler alloys. The model was trained using descriptors related to the…

Materials Science · Physics 2024-09-24 Danil Baigutlin , Vladimir Sokolovskiy , Vasiliy Buchelnikov , Sergey Taskaev

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

The utility of machine learning (ML) techniques in materials science has accelerated materials design and discovery. However, the accuracy of ML models - particularly deep neural networks - heavily relies on the quality and quantity of the…

Materials Science · Physics 2023-10-25 Marzie Ghorbani , Zhipeng Li , Nick Birbilis

Alloy discovery is constrained by vast compositional spaces, competing objectives, and prohibitive experimental costs. Although simulations and machine learning have each accelerated parts of this process, unifying scientific knowledge,…

Predicting mechanical properties in metal additive manufacturing (MAM) is essential for ensuring the performance and reliability of printed parts, as well as their suitability for specific applications. However, conducting experiments to…

Machine Learning · Computer Science 2024-11-01 Parand Akbari , Masoud Zamani , Amir Mostafaei

This study presents a novel approach to predicting mechanical properties of Additive Friction Stir Deposited (AFSD) aluminum alloy walled structures using biomimetic machine learning. The research combines numerical modeling of the AFSD…

Machine Learning · Computer Science 2024-08-13 Akshansh Mishra
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