Uncertainty Quantification in Multiscale Materials Modeling

Uncertainty Quantification in Multiscale Materials Modeling PDF Author: Yan Wang
Publisher: Woodhead Publishing
ISBN: 008102942X
Category : Technology & Engineering
Languages : en
Pages : 606

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Book Description
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

Uncertainty Quantification in Multiscale Materials Modeling

Uncertainty Quantification in Multiscale Materials Modeling PDF Author: Yan Wang
Publisher: Woodhead Publishing
ISBN: 008102942X
Category : Technology & Engineering
Languages : en
Pages : 606

Get Book Here

Book Description
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

Materials Discovery and Design

Materials Discovery and Design PDF Author: Turab Lookman
Publisher: Springer
ISBN: 3319994654
Category : Science
Languages : en
Pages : 266

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Book Description
This book addresses the current status, challenges and future directions of data-driven materials discovery and design. It presents the analysis and learning from data as a key theme in many science and cyber related applications. The challenging open questions as well as future directions in the application of data science to materials problems are sketched. Computational and experimental facilities today generate vast amounts of data at an unprecedented rate. The book gives guidance to discover new knowledge that enables materials innovation to address grand challenges in energy, environment and security, the clearer link needed between the data from these facilities and the theory and underlying science. The role of inference and optimization methods in distilling the data and constraining predictions using insights and results from theory is key to achieving the desired goals of real time analysis and feedback. Thus, the importance of this book lies in emphasizing that the full value of knowledge driven discovery using data can only be realized by integrating statistical and information sciences with materials science, which is increasingly dependent on high throughput and large scale computational and experimental data gathering efforts. This is especially the case as we enter a new era of big data in materials science with the planning of future experimental facilities such as the Linac Coherent Light Source at Stanford (LCLS-II), the European X-ray Free Electron Laser (EXFEL) and MaRIE (Matter Radiation in Extremes), the signature concept facility from Los Alamos National Laboratory. These facilities are expected to generate hundreds of terabytes to several petabytes of in situ spatially and temporally resolved data per sample. The questions that then arise include how we can learn from the data to accelerate the processing and analysis of reconstructed microstructure, rapidly map spatially resolved properties from high throughput data, devise diagnostics for pattern detection, and guide experiments towards desired targeted properties. The authors are an interdisciplinary group of leading experts who bring the excitement of the nascent and rapidly emerging field of materials informatics to the reader.

Predictive Theoretical and Computational Approaches for Additive Manufacturing

Predictive Theoretical and Computational Approaches for Additive Manufacturing PDF Author: National Academies of Sciences, Engineering, and Medicine
Publisher: National Academies Press
ISBN: 0309449782
Category : Technology & Engineering
Languages : en
Pages : 149

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Book Description
Additive manufacturing (AM) methods have great potential for promoting transformative research in many fields across the vast spectrum of engineering and materials science. AM is one of the leading forms of advanced manufacturing which enables direct computer-aided design (CAD) to part production without part-specific tooling. In October 2015 the National Academies of Sciences, Engineering, and Medicine convened a workshop of experts from diverse communities to examine predictive theoretical and computational approaches for various AM technologies. While experimental workshops in AM have been held in the past, this workshop uniquely focused on theoretical and computational approaches and involved areas such as simulation-based engineering and science, integrated computational materials engineering, mechanics, materials science, manufacturing processes, and other specialized areas. This publication summarizes the presentations and discussions from the workshop.

Data-Driven Modeling for Additive Manufacturing of Metals

Data-Driven Modeling for Additive Manufacturing of Metals PDF Author: National Academies of Sciences, Engineering, and Medicine
Publisher: National Academies Press
ISBN: 0309494206
Category : Technology & Engineering
Languages : en
Pages : 79

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Book Description
Additive manufacturing (AM) is the process in which a three-dimensional object is built by adding subsequent layers of materials. AM enables novel material compositions and shapes, often without the need for specialized tooling. This technology has the potential to revolutionize how mechanical parts are created, tested, and certified. However, successful real-time AM design requires the integration of complex systems and often necessitates expertise across domains. Simulation-based design approaches, such as those applied in engineering product design and material design, have the potential to improve AM predictive modeling capabilities, particularly when combined with existing knowledge of the underlying mechanics. These predictive models have the potential to reduce the cost of and time for concept-to-final-product development and can be used to supplement experimental tests. The National Academies convened a workshop on October 24-26, 2018 to discuss the frontiers of mechanistic data-driven modeling for AM of metals. Topics of discussion included measuring and modeling process monitoring and control, developing models to represent microstructure evolution, alloy design, and part suitability, modeling phases of process and machine design, and accelerating product and process qualification and certification. These topics then led to the assessment of short-, immediate-, and long-term challenges in AM. This publication summarizes the presentations and discussions from the workshop.

Computational Materials System Design

Computational Materials System Design PDF Author: Dongwon Shin
Publisher: Springer
ISBN: 3319682806
Category : Technology & Engineering
Languages : en
Pages : 239

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Book Description
This book provides state-of-the-art computational approaches for accelerating materials discovery, synthesis, and processing using thermodynamics and kinetics. The authors deliver an overview of current practical computational tools for materials design in the field. They describe ways to integrate thermodynamics and kinetics and how the two can supplement each other.

Non-standard Discretisation Methods in Solid Mechanics

Non-standard Discretisation Methods in Solid Mechanics PDF Author: Jörg Schröder
Publisher: Springer Nature
ISBN: 3030926729
Category : Technology & Engineering
Languages : en
Pages : 561

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Book Description
This edited volume summarizes research being pursued within the DFG Priority Programme 1748: "Reliable Simulation Methods in Solid Mechanics. Development of non-standard discretisation methods, mechanical and mathematical analysis", the aim of which was to develop novel discretisation methods based e.g. on mixed finite element methods, isogeometric approaches as well as discontinuous Galerkin formulations, including a sound mathematical analysis for geometrically as well as physically nonlinear problems. The Priority Programme has established an international framework for mechanical and applied mathematical research to pursue open challenges on an inter-disciplinary level. The compiled results can be understood as state of the art in the research field and show promising ways of further research in the respective areas. The book is intended for doctoral and post-doctoral students in civil engineering, mechanical engineering, applied mathematics and physics, as well as industrial researchers interested in the field.

Machine Learning in Modeling and Simulation

Machine Learning in Modeling and Simulation PDF Author: Timon Rabczuk
Publisher: Springer Nature
ISBN: 3031366441
Category : Technology & Engineering
Languages : en
Pages : 456

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Book Description
Machine learning (ML) approaches have been extensively and successfully employed in various areas, like in economics, medical predictions, face recognition, credit card fraud detection, and spam filtering. There is clearly also the potential that ML techniques developed in Engineering and the Sciences will drastically increase the possibilities of analysis and accelerate the design to analysis time. With the use of ML techniques, coupled to conventional methods like finite element and digital twin technologies, new avenues of modeling and simulation can be opened but the potential of these ML techniques needs to still be fully harvested, with the methods developed and enhanced. The objective of this book is to provide an overview of ML in Engineering and the Sciences presenting fundamental theoretical ingredients with a focus on the next generation of computer modeling in Engineering and the Sciences in which the exciting aspects of machine learning are incorporated. The book is of value to any researcher and practitioner interested in research or applications of ML in the areas of scientific modeling and computer aided engineering.

International Assessment of Research and Development in Simulation-based Engineering and Science

International Assessment of Research and Development in Simulation-based Engineering and Science PDF Author: Sharon C. Glotzer
Publisher: World Scientific
ISBN: 1848166974
Category : Mathematics
Languages : en
Pages : 313

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Book Description
Simulation-Based Engineering and Science (SBE&S) cuts across disciplines, showing tremendous promise in areas from storm prediction and climate modeling to understanding the brain and the behavior of numerous other complex systems.In this groundbreaking volume, nine distinguished leaders assess the latest research trends, as a result of 52 site visits in Europe and Asia and hundreds of hours of expert interviews, and discuss the implications of their findings for the US government.The authors conclude that while the US remains the quantitative leader in SBE&S research and development, it is very much in danger of losing that edge to Europe and Asia.Commissioned by the National Science Foundation, this multifaceted study will capture the attention of Fortune 500 companies and policymakers.Distinguished contributors: Sharon C Goltzer, University of Michigan, Ann Arbor, USA Sangtae Kim, Morgridge Institute for Research, USA Peter T Cummings, Vanderbilt University, USA and Oak Ridge National Laboratory, USA Abhijit Deshmukh, Texas A&M University, USA Martin Head-Gordon, University of California, Berkeley, USA George Em Karniadakis, Brown University, USA Linda Petzold, University of California, Santa Barbara, USA Celeste Sagui, North Carolina State University, USA Masanobu Shinozuka, University of California, Irvine, USA

Architecting Robust Co-Design of Materials, Products, and Manufacturing Processes

Architecting Robust Co-Design of Materials, Products, and Manufacturing Processes PDF Author: Anand Balu Nellippallil
Publisher: Springer Nature
ISBN: 3030453243
Category : Technology & Engineering
Languages : en
Pages : 368

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Book Description
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).

Carbon Nanotube-Reinforced Polymers

Carbon Nanotube-Reinforced Polymers PDF Author: Roham Rafiee
Publisher: Elsevier
ISBN: 0323482228
Category : Science
Languages : en
Pages : 588

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Book Description
Carbon Nanotube-Reinforced Polymers: From Nanoscale to Macroscale addresses the advances in nanotechnology that have led to the development of a new class of composite materials known as CNT-reinforced polymers. The low density and high aspect ratio, together with their exceptional mechanical, electrical and thermal properties, render carbon nanotubes as a good reinforcing agent for composites. In addition, these simulation and modeling techniques play a significant role in characterizing their properties and understanding their mechanical behavior, and are thus discussed and demonstrated in this comprehensive book that presents the state-of-the-art research in the field of modeling, characterization and processing. The book separates the theoretical studies on the mechanical properties of CNTs and their composites into atomistic modeling and continuum mechanics-based approaches, including both analytical and numerical ones, along with multi-scale modeling techniques. Different efforts have been done in this field to address the mechanical behavior of isolated CNTs and their composites by numerous researchers, signaling that this area of study is ongoing. - Explains modeling approaches to carbon nanotubes, together with their application, strengths and limitations - Outlines the properties of different carbon nanotube-based composites, exploring how they are used in the mechanical and structural components - Analyzes the behavior of carbon nanotube-based composites in different conditions