Continuum Scale Simulation Of Engineering Materials

This book fills a gap by presenting our current knowledge and understanding of continuum-based concepts behind computational methods used for microstructure and process simulation of engineering materials above the atomic scale. The volume provides an excellent overview on the different methods, comparing the different methods in terms of their respective particular weaknesses and advantages. This trains readers to identify appropriate approaches to the new challenges that emerge every day in this exciting domain. Divided into three main parts, the first is a basic overview covering fundamental key methods in the field of continuum scale materials simulation. The second one then goes on to look at applications of these methods to the prediction of microstructures, dealing with explicit simulation examples, while the third part discusses example applications in the field of process simulation. By presenting a spectrum of different computational approaches to materials, the book aims to initiate the development of corresponding virtual laboratories in the industry in which these methods are exploited. As such, it addresses graduates and undergraduates, lecturers, materials scientists and engineers, physicists, biologists, chemists, mathematicians, and mechanical engineers.

The choice of a material for a certain application is made taking into account its properties. If, for example one would like to produce a table, a hard material is needed to guarantee the stability of the product, but the material should not be too hard so that manufacturing is still as easy as possible - in this simple example wood might be the material of choice. When coming to more advanced applications the required properties are becoming more complex and the manufacturer`s desire is to tailor the properties of the material to fit the needs. To let this dream come true, insights into the microstructure of materials is crucial to finally control the properties of the materials because the microstructure determines its properties. Written by leading scientists in the field of microstructural design of engineering materials, this book focuses on the evolution and behavior of granular microstructures of various advanced materials during plastic deformation and treatment at elevated temperatures. These topics provide essential background and practical information for materials scientists, metallurgists and solid state physicists.

Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information on experiments, theory, and simulations concerning the surface roughening transition, kinetic roughening, nucleation kinetics, stability of crystal shapes, thin film formation, imperfect structure of small crystals, size dependent growth velocity, distribution coefficient at growth from alloy melts, superstructure ordering in the intermetallic compound. Computational experiments described in the last chapter allow visualization of the course of many processes and better understanding of many key problems in Materials Science. There is a set of practical steps concerning computational procedures presented. Open access to executable files in the book make it possible for everyone to understand better phenomena and processes described in the book. Valuable reference book, but also helpful as a supplement to courses Computer programs available to supplement examples Presents several new methods of computational materials science and clearly summarizes previous methods and results

Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.

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.

A material's various proprieties is based on its microscopic and nanoscale structures. This book provides an overview of recent advances in computational methods for linking phenomena in systems that span large ranges of time and spatial scales. Particular attention is given to predicting macroscopic properties based on subscale behaviors. Given the book’s extensive coverage of multi-scale methods for modeling both metallic and geologic materials, it will be an invaluable reading for graduate students, scientists, and practitioners alike.

Introducing state-of-the art computational methods, this book combines detailed explanations with real-world case studies to give a full grounding in the design of engineering materials. This book presents a wide spectrum of key computational methods, such as CALPHAD-method, first-principles calculations, phase-field simulation and finite element analysis, covering the atomic-meso-macro scale range. The reader will see these methods applied to case studies for steel, light alloys, superalloys, cemented carbides, hard coating and energy materials, demonstrating in detail how real-world materials are designed. Online ancillary material includes input files for computational design software, providing the reader with hands-on design experience. Step-by-step instructions will allow you to perform and repeat the simulations discussed in the book. Aimed at both graduate and undergraduate students as well as non-specialist researchers in materials science and engineering, including ceramics, metallurgy, and chemistry, this is an ideal introductory and reference book.

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.