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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.
The field of uncertainty quantification is evolving rapidly because of increasing emphasis on models that require quantified uncertainties for large-scale applications, novel algorithm development, and new computational architectures that facilitate implementation of these algorithms. Uncertainty Quantification: Theory, Implementation, and Applications provides readers with the basic concepts, theory, and algorithms necessary to quantify input and response uncertainties for simulation models arising in a broad range of disciplines. The book begins with a detailed discussion of applications where uncertainty quantification is critical for both scientific understanding and policy. It then covers concepts from probability and statistics, parameter selection techniques, frequentist and Bayesian model calibration, propagation of uncertainties, quantification of model discrepancy, surrogate model construction, and local and global sensitivity analysis. The author maintains a complementary web page where readers can find data used in the exercises and other supplementary material.
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
The topic of Uncertainty Quantification (UQ) has witnessed massive developments in response to the promise of achieving risk mitigation through scientific prediction. It has led to the integration of ideas from mathematics, statistics and engineering being used to lend credence to predictive assessments of risk but also to design actions (by engineers, scientists and investors) that are consistent with risk aversion. The objective of this Handbook is to facilitate the dissemination of the forefront of UQ ideas to their audiences. We recognize that these audiences are varied, with interests ranging from theory to application, and from research to development and even execution.
Over the last few decades, uncertainty quantification in composite materials and structures has gained a lot of attention from the research community as a result of industrial requirements. This book presents computationally efficient uncertainty quantification schemes following meta-model-based approaches for stochasticity in material and geometric parameters of laminated composite structures. Several metamodels have been studied and comparative results have been presented for different static and dynamic responses. Results for sensitivity analyses are provided for a comprehensive coverage of the relative importance of different material and geometric parameters in the global structural responses.
The seven-volume set LNCS 12137, 12138, 12139, 12140, 12141, 12142, and 12143 constitutes the proceedings of the 20th International Conference on Computational Science, ICCS 2020, held in Amsterdam, The Netherlands, in June 2020.* The total of 101 papers and 248 workshop papers presented in this book set were carefully reviewed and selected from 719 submissions (230 submissions to the main track and 489 submissions to the workshops). The papers were organized in topical sections named: Part I: ICCS Main Track Part II: ICCS Main Track Part III: Advances in High-Performance Computational Earth Sciences: Applications and Frameworks; Agent-Based Simulations, Adaptive Algorithms and Solvers; Applications of Computational Methods in Artificial Intelligence and Machine Learning; Biomedical and Bioinformatics Challenges for Computer Science Part IV: Classifier Learning from Difficult Data; Complex Social Systems through the Lens of Computational Science; Computational Health; Computational Methods for Emerging Problems in (Dis-)Information Analysis Part V: Computational Optimization, Modelling and Simulation; Computational Science in IoT and Smart Systems; Computer Graphics, Image Processing and Artificial Intelligence Part VI: Data Driven Computational Sciences; Machine Learning and Data Assimilation for Dynamical Systems; Meshfree Methods in Computational Sciences; Multiscale Modelling and Simulation; Quantum Computing Workshop Part VII: Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks and Machine Learning; Software Engineering for Computational Science; Solving Problems with Uncertainties; Teaching Computational Science; UNcErtainty QUantIficatiOn for ComputationAl modeLs *The conference was canceled due to the COVID-19 pandemic.
A modern and comprehensive treatment of tolerance intervals and regions The topic of tolerance intervals and tolerance regions has undergone significant growth during recent years, with applications arising in various areas such as quality control, industry, and environmental monitoring. Statistical Tolerance Regions presents the theoretical development of tolerance intervals and tolerance regions through computational algorithms and the illustration of numerous practical uses and examples. This is the first book of its kind to successfully balance theory and practice, providing a state-of-the-art treatment on tolerance intervals and tolerance regions. The book begins with the key definitions, concepts, and technical results that are essential for deriving tolerance intervals and tolerance regions. Subsequent chapters provide in-depth coverage of key topics including: Univariate normal distribution Non-normal distributions Univariate linear regression models Nonparametric tolerance intervals The one-way random model with balanced data The multivariate normal distribution The one-way random model with unbalanced data The multivariate linear regression model General mixed models Bayesian tolerance intervals A final chapter contains coverage of miscellaneous topics including tolerance limits for a ratio of normal random variables, sample size determination, reference limits and coverage intervals, tolerance intervals for binomial and Poisson distributions, and tolerance intervals based on censored samples. Theoretical explanations are accompanied by computational algorithms that can be easily replicated by readers, and each chapter contains exercise sets for reinforcement of the presented material. Detailed appendices provide additional data sets and extensive tables of univariate and multivariate tolerance factors. Statistical Tolerance Regions is an ideal book for courses on tolerance intervals at the graduate level. It is also a valuable reference and resource for applied statisticians, researchers, and practitioners in industry and pharmaceutical companies.
Small scale features and processes occurring at nanometer and femtosecond scales have a profound impact on what happens at a larger scale and over an extensive period of time. The primary objective of this volume is to reflect the state-of-the-art in multiscale mathematics, modeling, and simulations and to address the following barriers: What is the information that needs to be transferred from one model or scale to another and what physical principles must be satisfied during thetransfer of information? What are the optimal ways to achieve such transfer of information? How can variability of physical parameters at multiple scales be quantified and how can it be accounted for to ensure design robustness?The multiscale approaches in space and time presented in this volume are grouped into two main categories: information-passing and concurrent. In the concurrent approaches various scales are simultaneously resolved, whereas in the information-passing methods the fine scale is modeled and its gross response is infused into the continuum scale. The issue of reliability of multiscale modeling and simulation tools which focus on a hierarchy of multiscale models and an a posteriori model of errorestimation including uncertainty quantification, is discussed in several chapters. Component software that can be effectively combined to address a wide range of multiscale simulations is also described. Applications range from advanced materials to nanoelectromechanical systems (NEMS), biologicalsystems, and nanoporous catalysts where physical phenomena operates across 12 orders of magnitude in time scales and 10 orders of magnitude in spatial scales.This volume is a valuable reference book for scientists, engineers and graduate students practicing in traditional engineering and science disciplines as well as in emerging fields of nanotechnology, biotechnology, microelectronics and energy.
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.
This book contains the proceedings of the IUTAM Symposium on Multiscale Modeling and Uncertainty Quantification of Materials and Structures that was held at Santorini, Greece, September 9 – 11, 2013. It consists of 20 chapters which are divided in five thematic topics: Damage and fracture, homogenization, inverse problems–identification, multiscale stochastic mechanics and stochastic dynamics. Over the last few years, the intense research activity at micro scale and nano scale reflected the need to account for disparate levels of uncertainty from various sources and across scales. As even over-refined deterministic approaches are not able to account for this issue, an efficient blending of stochastic and multiscale methodologies is required to provide a rational framework for the analysis and design of materials and structures. The purpose of this IUTAM Symposium was to promote achievements in uncertainty quantification combined with multiscale modeling and to encourage research and development in this growing field with the aim of improving the safety and reliability of engineered materials and structures. Special emphasis was placed on multiscale material modeling and simulation as well as on the multiscale analysis and uncertainty quantification of fracture mechanics of heterogeneous media. The homogenization of two-phase random media was also thoroughly examined in several presentations. Various topics of multiscale stochastic mechanics, such as identification of material models, scale coupling, modeling of random microstructures, analysis of CNT-reinforced composites and stochastic finite elements, have been analyzed and discussed. A large number of papers were finally devoted to innovative methods in stochastic dynamics.