Integral Materials Modeling

With its discussion of strategies for modeling complex materials using new numerical techniques, mainly those based on the finite element method, this monograph covers a range of topics including computational plasticity, multi-scale formulations, optimization and parameter identification, damage mechanics and nonlinear finite elements.

The engineering of materials with advanced features is driving the research towards the design of innovative materials with high performances. New materials often deliver the best solution for structural applications, precisely contributing towards the finest combination of mechanical properties and low weight. The mimicking of nature's principles lead to a new class of structural materials including biomimetic composites, natural hierarchical materials and smart materials. Meanwhile, computational modeling approaches are the valuable tools complementary to experimental techniques and provide significant information at the microscopic level and explain the properties of materials and their very existence. The modeling also provides useful insights to possible strategies to design and fabricate materials with novel and improved properties. The book brings together these two fascinating areas and offers a comprehensive view of cutting-edge research on materials interfaces and technologies the engineering materials. The topics covered in this book are divided into 2 parts: Engineering of Materials, Characterizations & Applications and Computational Modeling of Materials. The chapters include the following: Mechanical and resistance behavior of structural glass beams Nanocrystalline metal carbides – microstructure characterization SMA-reinforced laminated glass panel Sustainable sugarcane bagasse cellulose for papermaking Electrospun scaffolds for cardiac tissue engineering Bio-inspired composites Density functional theory for studying extended systems First principles based approaches for modeling materials Computer aided materials design Computational materials for stochastic electromagnets Computational methods for thermal analysis of heterogeneous materials Modelling of resistive bilayer structures Modeling tunneling of superluminal photons through Brain Microtubules Computer aided surgical workflow modeling Displaced multiwavelets and splitting algorithms

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.

This book provides a comprehensive review of the state-of-the-art in the development of new and innovative materials, and of advanced modeling and characterization methods for nanoscale CMOS devices. Leading global industry bodies including the International Technology Roadmap for Semiconductors (ITRS) have created a forecast of performance improvements that will be delivered in the foreseeable future – in the form of a roadmap that will lead to a substantial enlargement in the number of materials, technologies and device architectures used in CMOS devices. This book addresses the field of materials development, which has been the subject of a major research drive aimed at finding new ways to enhance the performance of semiconductor technologies. It covers three areas that will each have a dramatic impact on the development of future CMOS devices: global and local strained and alternative materials for high speed channels on bulk substrate and insulator; very low access resistance; and various high dielectric constant gate stacks for power scaling. The book also provides information on the most appropriate modeling and simulation methods for electrical properties of advanced MOSFETs, including ballistic transport, gate leakage, atomistic simulation, and compact models for single and multi-gate devices, nanowire and carbon-based FETs. Finally, the book presents an in-depth investigation of the main nanocharacterization techniques that can be used for an accurate determination of transport parameters, interface defects, channel strain as well as RF properties, including capacitance-conductance, improved split C-V, magnetoresistance, charge pumping, low frequency noise, and Raman spectroscopy.

Presents a fully interdisciplinary approach with a stronger emphasis on polymers and composites than traditional materials books Materials science and engineering is an interdisciplinary field involving the properties of matter and its applications to various areas of science and engineering. Polymer materials are often mixed with inorganic materials to enhance their mechanical, electrical, thermal, and physical properties. Materials: Introduction and Applications addresses a gap in the existing textbooks on materials science. This book focuses on three Units. The first, Foundations, includes basic materials topics from Intermolecular Forces and Thermodynamics and Phase Diagrams to Crystalline and Non-Crystalline Structures. The second Units, Materials, goes into the details of many materials including Metals, Ceramics, Organic Raw Materials, Polymers, Composites, Biomaterials, and Liquid Crystals and Smart Materials. The third and final unit details Behavior and Properties including Rheological, Mechanical, Thermophysical, Color and Optical, Electrical and Dielectric, Magnetic, Surface Behavior and Tribology, Materials, Environment and Sustainability, and Testing of Materials. Materials: Introduction and Applications features: Basic and advanced Materials concepts Interdisciplinary information that is otherwise scattered consolidated into one work Links to everyday life application like electronics, airplanes, and dental materials Certain topics to be discussed in this textbook are more advanced. These will be presented in shaded gray boxes providing a two-level approach. Depending on whether you are a student of Mechanical Engineering, Electrical Engineering, Engineering Technology, MSE, Chemistry, Physics, etc., you can decide for yourself whether a topic presented on a more advanced level is not important for you—or else essential for you given your professional profile Witold Brostow is Regents Professor of Materials Science and Engineering at the University of North Texas. He is President of the International Council on Materials Education and President of the Scientific Committee of the POLYCHAR World Forum on Advanced Material (42 member countries). He has three honorary doctorates and is a Member of the European Academy of Sciences, Member of the National Academy of Sciences of Mexico, Foreign Member of the National Academy of Engineering of Georgia in Tbilisi and Fellow of the Royal Society of Chemistry in London. His publications have been cited more than 7200 times. Haley Hagg Lobland is the Associate Director of LAPOM at the University of North Texas. She is a Member of the POLYCHAR Scientific Committeee. She has received awards for her research presented at conferences in: Buzios, Rio de Janeiro, Brazil; NIST, Frederick, Maryland; Rouen, France; and Lviv, Ukraine. She has lectured in a number of countries including Poland and Spain. Her publications include joint ones with colleagues in Egypt, Georgia, Germany, India, Israel, Mexico, Poland, Turkey and United Kingdom.

This book contains chapters on cutting-edge developments presented at the TMS annual conference of 2012.

Provides everything readers need to know for applying the power of informatics to materials science There is a tremendous interest in materials informatics and application of data mining to materials science. This book is a one-stop guide to the latest advances in these emerging fields. Bridging the gap between materials science and informatics, it introduces readers to up-to-date data mining and machine learning methods. It also provides an overview of state-of-the-art software and tools. Case studies illustrate the power of materials informatics in guiding the experimental discovery of new materials. Materials Informatics: Methods, Tools and Applications is presented in two parts?Methodological Aspects of Materials Informatics and Practical Aspects and Applications. The first part focuses on developments in software, databases, and high-throughput computational activities. Chapter topics include open quantum materials databases; the ICSD database; open crystallography databases; and more. The second addresses the latest developments in data mining and machine learning for materials science. Its chapters cover genetic algorithms and crystal structure prediction; MQSPR modeling in materials informatics; prediction of materials properties; amongst others. -Bridges the gap between materials science and informatics -Covers all the known methodologies and applications of materials informatics -Presents case studies that illustrate the power of materials informatics in guiding the experimental quest for new materials -Examines the state-of-the-art software and tools being used today Materials Informatics: Methods, Tools and Applications is a must-have resource for materials scientists, chemists, and engineers interested in the methods of materials informatics.

A timely, applications-driven text in thermodynamics Materials Thermodynamics provides both students and professionals with the in-depth explanation they need to prepare for the real-world application of thermodynamic tools. Based upon an actual graduate course taught by the authors, this class-tested text covers the subject with a broader, more industry-oriented lens than can be found in any other resource available. This modern approach: Reflects changes rapidly occurring in society at large—from the impact of computers on the teaching of thermodynamics in materials science and engineering university programs to the use of approximations of higher order than the usual Bragg-Williams in solution-phase modeling Makes students aware of the practical problems in using thermodynamics Emphasizes that the calculation of the position of phase and chemical equilibrium in complex systems, even when properly defined, is not easy Relegates concepts like equilibrium constants, activity coefficients, free energy functions, and Gibbs-Duhem integrations to a relatively minor role Includes problems and exercises, as well as a solutions manual This authoritative text is designed for students and professionals in materials science and engineering, particularly those in physical metallurgy, metallic materials, alloy design and processing, corrosion, oxidation, coatings, and high-temperature alloys.

Advanced reviews for Polymer Materials «Molecular modeling of polymers … is a subject that cannot be found in any other [book] in any appreciable detail. … [T]he detailed chapters on specific polymer systems is a great idea.» – Gregory Odegard, Michigan Technological University «The polymer community needs a text book which can connect the macroscopic mechanics with mesoscopic and molecular aspects of polymer.» – Liangbin Li, University of Science and Technology of China This book takes a unique, multi-scale approach to the mechanical properties of polymers, covering both the macroscopic and molecular levels unlike any other book on the market. Based on the authors’ extensive research and writing in the field, Polymer Materials emphasizes the relationships between the chemical structure and the mechanical behavior of polymer materials, providing authoritative guidelines for assessing polymer performance under different conditions and the design of new materials. Key features of this book include: Experimental results on selected examples precede and reinforce the development of theoretical features In-depth discussions of a limited number of polymer systems instead of a brief overview of many Self-contained chapters with a summary of their key points Comprehensive problems and a solutions manual for the different parts of the book Coverage of the basics with an emphasis on polymer dynamics An indispensable resource for polymer scientists and students alike, Polymer Materials is also highly useful for material scientists, engineers, chemists, and physicists in industry and academia.