Predictive Material Modeling


Book Description

Nine papers from a November 2001 American Society for Testing and Materials symposium devoted to prediction of fundamental material behavior and structural response under a range of load conditions are presented by Kirk (U.S. Nuclear and Regulatory Commission) and Natishan (Phoenix Engineering Assoc




Applied Predictive Modeling


Book Description

Applied Predictive Modeling covers the overall predictive modeling process, beginning with the crucial steps of data preprocessing, data splitting and foundations of model tuning. The text then provides intuitive explanations of numerous common and modern regression and classification techniques, always with an emphasis on illustrating and solving real data problems. The text illustrates all parts of the modeling process through many hands-on, real-life examples, and every chapter contains extensive R code for each step of the process. This multi-purpose text can be used as an introduction to predictive models and the overall modeling process, a practitioner’s reference handbook, or as a text for advanced undergraduate or graduate level predictive modeling courses. To that end, each chapter contains problem sets to help solidify the covered concepts and uses data available in the book’s R package. This text is intended for a broad audience as both an introduction to predictive models as well as a guide to applying them. Non-mathematical readers will appreciate the intuitive explanations of the techniques while an emphasis on problem-solving with real data across a wide variety of applications will aid practitioners who wish to extend their expertise. Readers should have knowledge of basic statistical ideas, such as correlation and linear regression analysis. While the text is biased against complex equations, a mathematical background is needed for advanced topics.




Advances In The Chemistry And Physics Of Materials: Overview Of Selected Topics


Book Description

Advances in the Chemistry and Physics of Materials is a compilation of topics on the recent developments in the areas of Materials Science.Materials Science has been a subject of major interest which has garnered significant attention over the years. Chemists and physicists have contributed extensively to this frontier research area and their synergistic efforts have led to the discovery of many new, exciting materials involving novel functions. In the light of the growing importance of the field of Materials Science, and owing to the fact that it is a subject that holds a lot of promise, internationally renowned Materials Chemist Prof. C.N.R Rao along with his colleagues at the School of Advanced Materials, at JNCASR, have compiled the contents of this book to highlight and showcase the emerging trends in materials science.It touches upon topics spanning over nanomaterials and various other classes of energy materials for harvesting, storage and conversion. The relatively new and exciting range of materials such as supramolecular, soft and biomaterials have been introduced and elucidated, in the book. Special emphasis has been laid on the synthesis, phenomena and characterization of these kinds of materials. Theoretical and Computational Chemistry has played an important role in the growth of Materials Science as a discipline, and the book covers a special topical session on the theoretical efforts in materials research.The book, packed with theory and practical aspects in a crisp and concise manner, aims to take the reader on an intense scientific expedition. The compilation provides an insight into the chemistry and physics of materials and presents up-to-date status reports which would, undoubtedly, be useful to practitioners, teachers and students.




Fundamentals of Clinical Data Science


Book Description

This open access book comprehensively covers the fundamentals of clinical data science, focusing on data collection, modelling and clinical applications. Topics covered in the first section on data collection include: data sources, data at scale (big data), data stewardship (FAIR data) and related privacy concerns. Aspects of predictive modelling using techniques such as classification, regression or clustering, and prediction model validation will be covered in the second section. The third section covers aspects of (mobile) clinical decision support systems, operational excellence and value-based healthcare. Fundamentals of Clinical Data Science is an essential resource for healthcare professionals and IT consultants intending to develop and refine their skills in personalized medicine, using solutions based on large datasets from electronic health records or telemonitoring programmes. The book’s promise is “no math, no code”and will explain the topics in a style that is optimized for a healthcare audience.




Handbook of Materials Modeling


Book Description

The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.




Handbook of Research on Predictive Modeling and Optimization Methods in Science and Engineering


Book Description

The disciplines of science and engineering rely heavily on the forecasting of prospective constraints for concepts that have not yet been proven to exist, especially in areas such as artificial intelligence. Obtaining quality solutions to the problems presented becomes increasingly difficult due to the number of steps required to sift through the possible solutions, and the ability to solve such problems relies on the recognition of patterns and the categorization of data into specific sets. Predictive modeling and optimization methods allow unknown events to be categorized based on statistics and classifiers input by researchers. The Handbook of Research on Predictive Modeling and Optimization Methods in Science and Engineering is a critical reference source that provides comprehensive information on the use of optimization techniques and predictive models to solve real-life engineering and science problems. Through discussions on techniques such as robust design optimization, water level prediction, and the prediction of human actions, this publication identifies solutions to developing problems and new solutions for existing problems, making this publication a valuable resource for engineers, researchers, graduate students, and other professionals.




Predictive Modeling of Pharmaceutical Unit Operations


Book Description

The use of modeling and simulation tools is rapidly gaining prominence in the pharmaceutical industry covering a wide range of applications. This book focuses on modeling and simulation tools as they pertain to drug product manufacturing processes, although similar principles and tools may apply to many other areas. Modeling tools can improve fundamental process understanding and provide valuable insights into the manufacturing processes, which can result in significant process improvements and cost savings. With FDA mandating the use of Quality by Design (QbD) principles during manufacturing, reliable modeling techniques can help to alleviate the costs associated with such efforts, and be used to create in silico formulation and process design space. This book is geared toward detailing modeling techniques that are utilized for the various unit operations during drug product manufacturing. By way of examples that include case studies, various modeling principles are explained for the nonexpert end users. A discussion on the role of modeling in quality risk management for manufacturing and application of modeling for continuous manufacturing and biologics is also included. - Explains the commonly used modeling and simulation tools - Details the modeling of various unit operations commonly utilized in solid dosage drug product manufacturing - Practical examples of the application of modeling tools through case studies - Discussion of modeling techniques used for a risk-based approach to regulatory filings - Explores the usage of modeling in upcoming areas such as continuous manufacturing and biologics manufacturingBullet points




Computational Methods for Predicting Material Processing Defects


Book Description

The papers in this book deal with computational methods for predicting material processing defects. Using recent advances in finite strain plasticity and viscoplasticity, damage modelling, bifurcation and instability theory, fracture mechanics and computer numerical techniques, new approaches to mechanical defect analysis are proposed. Appropriate methods for explaining and avoiding the defects leading to fracture, high porosity, strain localization or undesirable geometrical imperfections are presented. In addition, some papers are devoted to new formulations and new calculation algorithms to be used for solving the forming problems. Finally, two papers deal with physical description of defects occurring in forming and cutting operations, focusing on the academic and practical interest of these topics.This is the first book to deal with the prediction of defects occurring in material forming processes; it contains much of interest from both a theoretical and a practical viewpoint.




Continuum Mechanics Modeling of Material Behavior


Book Description

Continuum Mechanics Modeling of Material Behavior offers a uniquely comprehensive introduction to topics like RVE theory, fabric tensor models, micropolar elasticity, elasticity with voids, nonlocal higher gradient elasticity and damage mechanics. Contemporary continuum mechanics research has been moving into areas of complex material microstructural behavior. Graduate students who are expected to do this type of research need a fundamental background beyond classical continuum theories. The book begins with several chapters that carefully and rigorously present mathematical preliminaries: kinematics of motion and deformation; force and stress measures; and general principles of mass, momentum and energy balance. The book then moves beyond other books by dedicating several chapters to constitutive equation development, exploring a wide collection of constitutive relations and developing the corresponding material model formulations. Such material behavior models include classical linear theories of elasticity, fluid mechanics, viscoelasticity and plasticity. Linear multiple field problems of thermoelasticity, poroelasticity and electoelasticity are also presented. Discussion of nonlinear theories of solids and fluids, including finite elasticity, nonlinear/non-Newtonian viscous fluids, and nonlinear viscoelastic materials are also given. Finally, several relatively new continuum theories based on incorporation of material microstructure are presented including: fabric tensor theories, micropolar elasticity, elasticity with voids, nonlocal higher gradient elasticity and damage mechanics. - Offers a thorough, concise and organized presentation of continuum mechanics formulation - Covers numerous applications in areas of contemporary continuum mechanics modeling, including micromechanical and multi-scale problems - Integration and use of MATLAB software gives students more tools to solve, evaluate and plot problems under study - Features extensive use of exercises, providing more material for student engagement and instructor presentation




Experimental Characterization, Predictive Mechanical and Thermal Modeling of Nanostructures and Their Polymer Composites


Book Description

Experimental Characterization, Predictive Mechanical and Thermal Modeling of Nanostructures and Their Polymer Composite focuses on the recent observations and predictions regarding the size-dependent mechanical properties, material properties and processing issues of carbon nanotubes (CNTs) and other nanostructured materials. The book takes various approaches, including dedicated characterization methods, theoretical approaches and computer simulations, providing a detailed examination of the fundamental mechanisms governing the deviations of the properties of CNTs and other nanostructured materials. The book explores their applications in materials science, mechanics, engineering, chemistry and physics due to their unique and appealing properties. The use of such materials is, however, still largely limited due to the difficulty in tuning their properties and morphological and structural features. - Presents a thorough discussion on how to effectively model the properties of carbon nanotubes and their polymer nanocomposites - Includes a size-dependent analysis of properties and multiscale modeling - Outlines the fundamentals and procedures of computational modeling as it is applied to carbon nanotubes and other nanomaterials