Artificial Intelligence Aided Materials Design

This book describes the application of artificial intelligence (AI)/machine learning (ML) concepts to develop predictive models that can be used to design alloy materials, including hard and soft magnetic alloys, nickel-base superalloys, titanium-base alloys, and aluminum-base alloys. Readers new to AI/ML algorithms can use this book as a starting point and use the MATLAB® and Python implementation of AI/ML algorithms through included case studies. Experienced AI/ML researchers who want to try new algorithms can use this book and study the case studies for reference. Offers advantages and limitations of several AI concepts and their proper implementation in various data types generated through experiments and computer simulations and from industries in different file formats Helps readers to develop predictive models through AI/ML algorithms by writing their own computer code or using resources where they do not have to write code Covers downloadable resources such as MATLAB GUI/APP and Python implementation that can be used on common mobile devices Discusses the CALPHAD approach and ways to use data generated from it Features a chapter on metallurgical/materials concepts to help readers understand the case studies and thus proper implementation of AI/ML algorithms under the framework of data-driven materials science Uses case studies to examine the importance of using unsupervised machine learning algorithms in determining patterns in datasets This book is written for materials scientists and metallurgists interested in the application of AI, ML, and data science in the development of new materials.

The selection of the proper materials for a structural component is a critical activity that is governed by many, often conflicting factors. Incorporating materials expert systems into CAD/CAM operations could assist designers by suggesting potential manufacturing processes for particular products to facilitate concurrent engineering, recommending various materials for a specific part based on a given set of characteristics, or proposing possible modifications of a design if suitable materials for a particular part do not exist. This book reviews the structural design process, determines the elements, and capabilities required for a materials selection expert system to assist design engineers, and recommends the areas of expert system and materials modeling research and development required to devise a materials-specific design system.

Artificial Intelligence in Engineering Design is a three volume edited collection of key papers from the field of artificial intelligence and design, aimed at providing a description of the field, and focusing on how ideas and methods from artifical intelligence can help engineers in the design of physical artifacts and processes. The book surveys a wide variety of applications in the areas of civil, mechanical, chemical, VLSI, electrical, and computer engineering. The contributors are from leading academic computer-aided design centers as well as from industry.

This book presents the application of machine learning and deep learning to Materials Design. Traditional materials design relies on a trial and error based iterative approach towards attaining target material properties often interspersed with accidental discoveries. This approach is very time consuming as both processing/fabrication, characterization of new compositions/structures are quite laborious. The field of machine learning and deep learning can greatly benefit expediting this approach by narrowing down the search space and reducing the number of compounds/structures that are explored in the lab. This book covers the fundamentals of how one goes about applying Artificial Intelligence to materials design followed by specific examples. The book contains 4 sections. In the first section, fundamentals of AI, materials structure representation/digitization and theoretical framework are discussed. In the second section, materials optimization using evolutionary algorithms is discussed. In the third section, application of AI for forward prediction, i.e., given a material structure, how to predict properties, is considered. In the fourth section, we cover inverse prediction or inverse materials design, that is, predicting materials/structures with target properties. The inverse design of materials is an emerging field of materials design and the techniques we present are very novel. We provide examples from both organic and inorganic materials space with diverse fields of applications. The book includes sample codes for these example problems to help readers gain hands-on experience. ​

This volume brings together the experience of specialists in the entire field of applications of Materials Science. The volume contains 196 of the excellent papers presented at the conference. This multidisciplinary meeting was held to bring together workers in a wide range of materials science and engineering activities who employ common analytical and experimental methods in their day to day work. The results of the meeting are of worldwide interest, and will help to stimulate future research and analysis in this area.

Additive Manufacturing for Bio-Composites and Synthetic Composites focuses on processes, engineering, and product design applications of bio-composites and synthetic composites in additive manufacturing (AM). It discusses the preparation and material characterization and selection, as well as future opportunities and challenges. Reviews the latest research on the development of composites for AM and the preparation of composite feedstocks. Offers an analytical and statistical approach for the selection of composites for AM, including characterization of material properties. Emphasizes the use of environmentally friendly composites. Analyzes the lifecycle including costs. Considers potential new fibers, their selection, and future applications. This book provides a comprehensive overview of the application of advanced composite materials in AM and is aimed at researchers, engineers, and advanced students in materials and manufacturing engineering and related disciplines.

Machine learning methods are changing the way we design and discover new materials. This book provides an overview of approaches successfully used in addressing materials problems (alloys, ferroelectrics, dielectrics) with a focus on probabilistic methods, such as Gaussian processes, to accurately estimate density functions. The authors, who have extensive experience in this interdisciplinary field, discuss generalizations where more than one competing material property is involved or data with differing degrees of precision/costs or fidelity/expense needs to be considered.

Several statistical techniques are used for the design of materials through extraction of knowledge from existing data banks. These approaches are getting more attention with the application of computational intelligence techniques. This book illustrates the alternative but effective methods of designing materials, where models are developed through capturing the inherent correlations among the variables on the basis of available imprecise knowledge in the form of rules or database, as well as through the extraction of knowledge from experimental or industrial database, and using optimization tools.