This book presents a collection of papers presented at the 3rd World Congress on Integrated Computational Materials Engineering (ICME), a specialty conference organized by The Minerals, Metals & Materials Society (TMS). This meeting convened ICME stakeholders to examine topics relevant to the global advancement of ICME as an engineering discipline. The papers presented in these proceedings are divided into six sections: (1) ICME Applications; (2) ICME Building Blocks; (3) ICME Success Stories and Applications (4) Integration of ICME Building Blocks: Multi-scale Modeling; (5) Modeling, Data and Infrastructure Tools, and (6) Process Optimization. . These papers are intended to further the global implementation of ICME, broaden the variety of applications to which ICME is applied, and ultimately help industry design and produce new materials more efficiently and effectively.

In its most advanced form, Integrated Computational Materials Engineering (ICME) holistically integrates manufacturing simulation, advanced materials models and component performance analysis. This volume contains thirty-five papers presented at the 1st World Congress on Integrated Computational Materials Engineering. Modeling processing-microstructure relationships, modeling microstructure-property relationships, and the role of ICME in graduate and undergraduate education are discussed. Ideal as a primary text for engineering students, this book motivates a wider understanding of the advantages and limitations offered by the various computational (and coordinated experimental) tools of this field.

This book represents a collection of papers presented at the 2nd World Congress on Integrated Computational Materials Engineering (ICME), a specialty conference organized by The Minerals, Metals & Materials Society (TMS).

This book represents a collection of papers presented at the 4th World Congress on Integrated Computational Materials Engineering (ICME 2017), a specialty conference organized by The Minerals, Metals & Materials Society (TMS). The contributions offer topics relevant to the global advancement of ICME as an engineering discipline. Topics covered include the following:ICME Success Stories and ApplicationsVerification, Validation, Uncertainty Quantification Issues and Gap AnalysisIntegration Framework and UsageAdditive ManufacturingPhase Field ModelingMicrostructure EvolutionICME Design Tools and ApplicationMechanical Performance Using Multi-Scale Modeling

This book demonstrates the potential of novel in-situ experiments, performed on microscopic and macroscopic length scales, for investigating localized deformation processes in metallic materials, particularly their kinetics and the associated evolution of local strain fields. It features a broad methodological portfolio, spanning optical and electron microscopy, digital image correlation, infrared theromgraphy and acoustic emission testing, and particularly focuses on identifying the localized microscopic deformation processes in high-strength/high-ductility CrMnNi TRIP/TWIP (TRansformation Induced Plasticity/TWinning Induced Plasticity) steels. Presenting state-of-the art methodology applied to topical and pertinent problems in materials engineering, this book is a valuable resource for researchers and graduate students working in the field of plasticity and deformation of structural materials.

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction Modeling Mechanochemistry from First Principles Mapping Energy Transport Networks in Proteins The Role of Computations in Catalysis The Construction of Ab Initio Based Potential Energy Surfaces Uncertainty Quantification for Molecular Dynamics

This book explores systems-based, co-design, introducing a “Decision-Based, Co-Design” (DBCD) approach for the co-design of materials, products, and processes. In recent years there have been significant advances in modeling and simulation of material behavior, from the smallest atomic scale to the macro scale. However, the uncertainties associated with these approaches and models across different scales need to be addressed to enable decision-making resulting in designs that are robust, that is, relatively insensitive to uncertainties. An approach that facilitates co-design is needed across material, product design and manufacturing processes. This book describes a cloud-based platform to support decisions in the design of engineered systems (CB-PDSIDES), which feature an architecture that promotes co-design through the servitization of decision-making, knowledge capture and use templates that allow previous solutions to be reused. Placing the platform in the cloud aids mass collaboration and open innovation. A valuable reference resource reference on all areas related to the design of materials, products and processes, the book appeals to material scientists, design engineers and all those involved in the emerging interdisciplinary field of integrated computational materials engineering (ICME).

The book marks the Platinum Jubilee of the Indian Institute of Metals, closely matching independent India's age. It is envisaged as a compilation of technical articles tracing the birth and growth trajectory of metallurgical science, engineering and technology in the nation, attempting a degree of prognostication covering the next quarter of a century. It contains the essence of the metallurgical research and development and industrial progress India has witnessed in the last 75 years. This book comprises technical articles written by industry leaders and eminent technocrats. It includes overviews by distinguished researchers who have strived to build foundations of new metallurgical research and engineering fields. It includes learned writings of persons associated with premier institutions heavily dependent on metallurgy and materials. They have made seminal contributions by nurturing the growth of metallurgical research and industrial production or have made first-hand contributions to building the great organisations we have today. Coinciding with the Platinum Jubilee year of the Indian Institute of Metals, this book brings out the enormous efforts of these individuals representing their organisations to share insights that led to their success as an entity. Similarly, several professionals who significantly contributed to the understanding of metallurgical engineering, have held important positions and steered the national strategic programmes or academically nurtured students in their illustrious careers also share their journey in this book. This book chronicles the significant advances made in the field of metallurgical science, engineering and technology in India, presenting the historical perspective and prospects in the format of a technical volume.

This comprehensive reference work satisfies the need for in-depth and multidisciplinary coverage of the current state of the art of magnetic hybrid nanoalloys (MHNAs) and their polymer and ceramic nanocomposites. MHNAs represent one of the most challenging research areas in modern science and technology. These materials are stiff and strong with remarkable electronic, mechanical, electrical, thermal and biocompatible properties, and a high potential for multifunctional applications ranging from industry to medicine. The peer-reviewed literature is already extensive, witnessing rapid progress in experimental and theoretical studies on fundamental properties as well as various advanced applications. Part 1 covers theory, modelling, and synthesis (growth and alloying mechanisms) of MHNAs. Formation mechanisms of magneto-electric multiferroic materials, magnetic carbon nanotube (CNTs), and perovskite materials, which are a novel class of next-generation multifunctional nanomaterials, are discussed. The second part focuses on characterization techniques for electrical and dielectrical, rheological, biocompatibility, and other properties, as well as applications in the industrial, agricultural, environmental, and biomedical sectors. Finally, life cycle assessment is considered as essential to the development of nanomaterials and nanoproducts from MHNAs. Advanced undergraduate and graduate students, researchers, and other professionals in the fields of materials science and engineering, polymer science, surface science, bioengineering, and chemical engineering will find comprehensive and authoritative information for solving fundamental and applied problems in the characterization and use of these multifunctional nanomaterials.

Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales. - Synthesizes available UQ methods for materials modeling - Provides practical tools and examples for problem solving in modeling material behavior across various length scales - Demonstrates UQ in density functional theory, molecular dynamics, kinetic Monte Carlo, phase field, finite element method, multiscale modeling, and to support decision making in materials design - Covers quantum, atomistic, mesoscale, and engineering structure-level modeling and simulation