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This study introduces a language transformer-based machine learning model to predict key mechanical properties of high-entropy alloys (HEAs), addressing the challenges due to their complex, multi-principal element compositions and limited…

Computational Engineering, Finance, and Science · Computer Science 2024-11-08 Spyros Kamnis , Konstantinos Delibasis

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

High-entropy alloys, which exist in the high-dimensional composition space, provide enormous unique opportunities for realizing unprecedented structural and functional properties. A fundamental challenge, however, lies in how to predict the…

Materials Science · Physics 2021-05-20 Jie Qi , Andrew M. Cheung , S. Joseph Poon

This chapter presents an innovative framework for the application of machine learning and data analytics for the identification of alloys or composites exhibiting certain desired properties of interest. The main focus is on alloys and…

Materials Science · Physics 2020-12-15 Baldur Steingrimsson , Xuesong Fan , Anand Kulkarni , Michael C. Gao , Peter K. Liaw

High-entropy alloys are solid solutions of multiple principal elements, capable of reaching composition and feature regimes inaccessible for dilute materials. Discovering those with valuable properties, however, relies on serendipity, as…

The pursuit of novel alloys tailored to specific requirements poses significant challenges for researchers in the field. This underscores the importance of developing predictive techniques for essential physical properties of alloys based…

Materials Science · Physics 2024-04-01 Akshat Chaudhari , Chakradhar Guntuboina , Hongshuo Huang , Amir Barati Farimani

Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

We combined descriptor-based analytical models for stiffness-matrix and elastic-moduli with mean-field methods to accelerate assessment of technologically useful properties of high-entropy alloys, such as strength and ductility. Model…

Alloys present the great potential in catalysis because of their adjustable compositions, structures and element distributions, which unfortunately also limit the fast screening of the potential alloy catalysts. Machine learning methods are…

Materials Science · Physics 2021-07-07 Xin Li , Bo Li , Zhiwen Chen , Wang Gao , Qing Jiang

High-entropy alloys (HEAs) are metallic materials with solid solutions stabilized by high mixing entropy. Some exhibit excellent strength, often accompanied by additional properties such as magnetic, invar, corrosion, or cryogenic response.…

Materials Science · Physics 2024-09-26 Anurag Bajpai , Ziyuan Rao , Abhinav Dixit , Krishanu Biswas , Dierk Raabe

High-entropy alloys have attracted attention for their exceptional mechanical properties and thermal stability. However, the combinatorial explosion in the number of possible elemental compositions renders traditional trial-and-error…

Materials Science · Physics 2025-04-30 Ryo Murakami , Seiji Miura , Akihiro Endo , Satoshi Minamoto

Learned image compression methods have attracted great research interest and exhibited superior rate-distortion performance to the best classical image compression standards of the present. The entropy model plays a key role in learned…

Computer Vision and Pattern Recognition · Computer Science 2025-05-16 Jingbo Lu , Leheng Zhang , Xingyu Zhou , Mu Li , Wen Li , Shuhang Gu

High-entropy alloys are widely modeled as homogeneously mixed surfaces, yet the validity of this assumption for catalytic prediction remains unclear. Here, we reproduce high-throughput experimental measurements using thermodynamic…

Materials Science · Physics 2026-04-29 Taegyeong Kim , Youngtak Kim , Sathya Sheela Subramanian , Geun Ho Gu

Computational screening for new and improved catalyst materials relies on accurate and low-cost predictions of key parameters such as adsorption energies. Here, we use recently developed compressed sensing methods to identify descriptors…

Materials Science · Physics 2019-02-21 Mie Andersen , Sergey V. Levchenko , Matthias Scheffler , Karsten Reuter

The ability to interpret spoken language is connected to natural language processing. It involves teaching the AI how words relate to one another, how they are meant to be used, and in what settings. The goal of natural language processing…

Computation and Language · Computer Science 2023-11-15 Akshansh Mishra , Vijaykumar S Jatti , Vaishnavi More , Anish Dasgupta , Devarrishi Dixit , Eyob Messele Sefene

The design of high-entropy alloys (HEA) with desired properties is challenging due to their large compositional space. While various machine learning (ML) models can predict specific HEA solid-solution phases (SS), predicting high-entropy…

Materials Science · Physics 2023-06-27 Jie Qi , Diego Ibarra Hoyos , S. Joseph Poon

Extracting dense representations for terms and phrases is a task of great importance for knowledge discovery platforms targeting highly-technical fields. Dense representations are used as features for downstream components and have multiple…

Computation and Language · Computer Science 2023-05-26 Francesco Fusco , Diego Antognini

In standard methodology for natural language processing, entities in text are typically embedded in dense vector spaces with pre-trained models. The embeddings produced this way are effective when fed into downstream models, but they…

Computation and Language · Computer Science 2020-10-14 Yasumasa Onoe , Greg Durrett

Semantically meaningful sentence embeddings are important for numerous tasks in natural language processing. To obtain such embeddings, recent studies explored the idea of utilizing synthetically generated data from pretrained language…

Computation and Language · Computer Science 2022-08-31 Taehee Kim , ChaeHun Park , Jimin Hong , Radhika Dua , Edward Choi , Jaegul Choo

The efficient and economical exploitation of polymers with high thermal conductivity is essential to solve the issue of heat dissipation in organic devices. Currently, the experimental preparation of functional thermal conductivity polymers…

Materials Science · Physics 2024-02-16 Xiang Huang , Shengluo Ma , C. Y. Zhao , Hong Wang , Shenghong Ju
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