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Related papers: Supply Risk-Aware Alloy Discovery and Design

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In this paper, a synergistic computational/experimental approach is presented for the rapid discovery and characterization of novel alloys within the compositionally complex (i.e., "medium/high entropy") refractory alloy space of…

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

Newly, the rates of energy and material consumption to augment industrial pro-duction are substantially high, thus the environmentally sustainable industrial de-velopment has emerged as the main issue of either developed or developing…

In alloy design, the search for candidate materials is often framed as an optimization problem, with the goal of identifying Pareto-optimal solutions across multiple objectives. However, Pareto-optimal solutions do not necessarily satisfy…

Materials Science · Physics 2025-10-24 Cayden Maguire , Christofer Hardcastle , Trevor Hastings , Raymundo Arróyave , Brent Vela

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…

In this study, we propose a novel microstructure-sensitive Bayesian optimization (BO) framework designed to enhance the efficiency of materials discovery by explicitly incorporating microstructural information. Traditional materials design…

Materials Science · Physics 2025-02-07 Danial Khatamsaz , Vahid Attari , Raymundo Arroyave

Algorithmic materials discovery is a multi-disciplinary domain that integrates insights from specialists in alloy design, synthesis, characterization, experimental methodologies, computational modeling, and optimization. Central to this…

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

The current bulk materials discovery cycle has several inefficiencies from initial computational predictions through fabrication and analyses. Materials are generally evaluated in a singular fashion, relying largely on human-driven…

Materials Science · Physics 2021-02-12 Olivia F. Dippo , Kevin R. Kaufmann , Kenneth S. Vecchio

Supply chain management has been concentrated on productive ways to manage flows through a sophisticated vendor, manufacturer, and consumer networks for decades. Recently, energy and material rates have been greatly consumed to improve the…

Computers and Society · Computer Science 2020-10-12 Ahmad Sobhan Abir , Ishtiaq Ahmed Bhuiyan , Mohammad Arani , Md Mashum Billal

Multi-Principal Element Alloys (MPEAs) have emerged as an exciting area of research in materials science in the 2020s, owing to the vast potential for discovering alloys with unique and tailored properties enabled by the combinations of…

Materials Science · Physics 2024-08-15 Brent Vela , Trevor Hastings , Raymundo Arróyave

In supply chain management, decision-making often involves balancing multiple conflicting objectives, such as cost reduction, service level improvement, and environmental sustainability. Traditional multi-objective optimization methods,…

Artificial Intelligence · Computer Science 2025-09-09 Niki Kotecha , Ehecatl Antonio del Rio Chanona

This study introduces BIRDSHOT, an integrated Bayesian materials discovery framework designed to efficiently explore complex compositional spaces while optimizing multiple material properties. We applied this framework to the CoCrFeNiVAl…

The rapid design of advanced materials is a topic of great scientific interest. The conventional, ``forward'' paradigm of materials design involves evaluating multiple candidates to determine the best candidate that matches the target…

Designing high-entropy alloys (HEAs) that are both mechanically hard and possess soft magnetic properties is inherently challenging, as a trade-off is needed for mechanical and magnetic properties. In this study, we optimize HEA…

Embedded systems interaction with environment inherently complicates understanding of requirements and their correct implementation. However, product uncertainty is highest during early stages of development. Design verification is an…

Software Engineering · Computer Science 2011-12-20 Hara Gopal Mani Pakala , Dr. Plh Varaprasad , Dr. Raju Kvsvn , Dr. Ibrahim Khan

Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current AI workflows optimize performance first, deferring sustainability…

Materials design can be cast as an optimization problem with the goal of achieving desired properties, by varying material composition, microstructure morphology, and processing conditions. Existence of both qualitative and quantitative…

Computational Physics · Physics 2019-07-08 Akshay Iyer , Yichi Zhang , Aditya Prasad , Siyu Tao , Yixing Wang , Linda Schadler , L Catherine Brinson , Wei Chen

Deep optics has emerged as a promising approach by co-designing optical elements with deep learning algorithms. However, current research typically overlooks the analysis and optimization of manufacturing and assembly tolerances. This…

Computer Vision and Pattern Recognition · Computer Science 2025-02-10 Jun Dai , Liqun Chen , Xinge Yang , Yuyao Hu , Jinwei Gu , Tianfan Xue

Discovering novel materials with desired properties is essential for driving innovation. Industry 4.0 and smart manufacturing have promised transformative advances in this area through real-time data integration and automated production…

Machine Learning · Computer Science 2025-04-08 Avijit Saha Asru , Hamed Khosravi , Imtiaz Ahmed , Abdullahil Azeem
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