Information Science For Materials Discovery And Design
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Information Science For Materials Discovery And Design
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Author : Turab Lookman
language : en
Publisher: Springer
Release Date : 2015-12-12
Information Science For Materials Discovery And Design written by Turab Lookman and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-12-12 with Technology & Engineering categories.
This book deals with an information-driven approach to plan materials discovery and design, iterative learning. The authors present contrasting but complementary approaches, such as those based on high throughput calculations, combinatorial experiments or data driven discovery, together with machine-learning methods. Similarly, statistical methods successfully applied in other fields, such as biosciences, are presented. The content spans from materials science to information science to reflect the cross-disciplinary nature of the field. A perspective is presented that offers a paradigm (codesign loop for materials design) to involve iteratively learning from experiments and calculations to develop materials with optimum properties. Such a loop requires the elements of incorporating domain materials knowledge, a database of descriptors (the genes), a surrogate or statistical model developed to predict a given property with uncertainties, performing adaptive experimental design to guide the next experiment or calculation and aspects of high throughput calculations as well as experiments. The book is about manufacturing with the aim to halving the time to discover and design new materials. Accelerating discovery relies on using large databases, computation, and mathematics in the material sciences in a manner similar to the way used to in the Human Genome Initiative. Novel approaches are therefore called to explore the enormous phase space presented by complex materials and processes. To achieve the desired performance gains, a predictive capability is needed to guide experiments and computations in the most fruitful directions by reducing not successful trials. Despite advances in computation and experimental techniques, generating vast arrays of data; without a clear way of linkage to models, the full value of data driven discovery cannot be realized. Hence, along with experimental, theoretical and computational materials science, we need to add a “fourth leg’’ to our toolkit to make the “Materials Genome'' a reality, the science of Materials Informatics.
Artificial Intelligence For Materials Science
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Author : Yuan Cheng
language : en
Publisher: Springer Nature
Release Date : 2021-03-26
Artificial Intelligence For Materials Science written by Yuan Cheng and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-26 with Technology & Engineering categories.
Machine learning methods have lowered the cost of exploring new structures of unknown compounds, and can be used to predict reasonable expectations and subsequently validated by experimental results. As new insights and several elaborative tools have been developed for materials science and engineering in recent years, it is an appropriate time to present a book covering recent progress in this field. Searchable and interactive databases can promote research on emerging materials. Recently, databases containing a large number of high-quality materials properties for new advanced materials discovery have been developed. These approaches are set to make a significant impact on human life and, with numerous commercial developments emerging, will become a major academic topic in the coming years. This authoritative and comprehensive book will be of interest to both existing researchers in this field as well as others in the materials science community who wish to take advantage of these powerful techniques. The book offers a global spread of authors, from USA, Canada, UK, Japan, France, Russia, China and Singapore, who are all world recognized experts in their separate areas. With content relevant to both academic and commercial points of view, and offering an accessible overview of recent progress and potential future directions, the book will interest graduate students, postgraduate researchers, and consultants and industrial engineers.
Materials Discovery And Design
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Author : Turab Lookman
language : en
Publisher: Springer
Release Date : 2018-09-22
Materials Discovery And Design written by Turab Lookman and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-09-22 with Science categories.
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.
Machine Learning And Data Mining In Materials Science
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Author : Norbert Huber
language : en
Publisher: Frontiers Media SA
Release Date : 2020-04-22
Machine Learning And Data Mining In Materials Science written by Norbert Huber and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-04-22 with categories.
Materials Informatics I
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Author : Kunal Roy
language : en
Publisher: Springer Nature
Release Date : 2025-05-10
Materials Informatics I written by Kunal Roy and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-10 with Science categories.
This contributed volume explores the integration of machine learning and cheminformatics within materials science, focusing on predictive modeling techniques. It begins with foundational concepts in materials informatics and cheminformatics, emphasizing quantitative structure-property relationships (QSPR). The volume then presents various methods and tools, including advanced QSPR models, quantitative read-across structure-property relationship (q-RASPR) models, optimization strategies with minimal data, and in silico studies using different descriptors. Additionally, it explores machine learning algorithms and their applications in materials science, alongside innovative modeling approaches for quantum-theoretic properties. Overall, the book serves as a comprehensive resource for understanding and applying machine learning in the study and development of advanced materials and is a useful tool for students, researchers and professionals working in these areas.
Nanoinformatics
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Author : Isao Tanaka
language : en
Publisher: Springer
Release Date : 2018-01-15
Nanoinformatics written by Isao Tanaka and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-01-15 with Technology & Engineering categories.
This open access book brings out the state of the art on how informatics-based tools are used and expected to be used in nanomaterials research. There has been great progress in the area in which “big-data” generated by experiments or computations are fully utilized to accelerate discovery of new materials, key factors, and design rules. Data-intensive approaches play indispensable roles in advanced materials characterization. "Materials informatics" is the central paradigm in the new trend. "Nanoinformatics" is its essential subset, which focuses on nanostructures of materials such as surfaces, interfaces, dopants, and point defects, playing a critical role in determining materials properties. There have been significant advances in experimental and computational techniques to characterize individual atoms in nanostructures and to gain quantitative information. The collaboration of researchers in materials science and information science is growing actively and is creating a new trend in materials science and engineering.
Handbook On Big Data And Machine Learning In The Physical Sciences In 2 Volumes
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Author :
language : en
Publisher: World Scientific
Release Date : 2020-03-10
Handbook On Big Data And Machine Learning In The Physical Sciences In 2 Volumes written by and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-10 with Computers categories.
This compendium provides a comprehensive collection of the emergent applications of big data, machine learning, and artificial intelligence technologies to present day physical sciences ranging from materials theory and imaging to predictive synthesis and automated research. This area of research is among the most rapidly developing in the last several years in areas spanning materials science, chemistry, and condensed matter physics.Written by world renowned researchers, the compilation of two authoritative volumes provides a distinct summary of the modern advances in instrument — driven data generation and analytics, establishing the links between the big data and predictive theories, and outlining the emerging field of data and physics-driven predictive and autonomous systems.
Microstructure Modeling And Crystal Plasticity Parameter Identification For Predicting The Cyclic Mechanical Behavior Of Polycrystalline Metals
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Author : Kuhn, Jannick
language : en
Publisher: KIT Scientific Publishing
Release Date : 2023-04-04
Microstructure Modeling And Crystal Plasticity Parameter Identification For Predicting The Cyclic Mechanical Behavior Of Polycrystalline Metals written by Kuhn, Jannick and has been published by KIT Scientific Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-04-04 with Technology & Engineering categories.
Computational homogenization permits to capture the influence of the microstructure on the cyclic mechanical behavior of polycrystalline metals. In this work we investigate methods to compute Laguerre tessellations as computational cells of polycrystalline microstructures, propose a new method to assign crystallographic orientations to the Laguerre cells and use Bayesian optimization to find suitable parameters for the underlying micromechanical model from macroscopic experiments.
Publications Combined Over 100 Studies In Nanotechnology With Medical Military And Industrial Applications 2008 2017
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Author :
language : en
Publisher: Jeffrey Frank Jones
Release Date :
Publications Combined Over 100 Studies In Nanotechnology With Medical Military And Industrial Applications 2008 2017 written by and has been published by Jeffrey Frank Jones this book supported file pdf, txt, epub, kindle and other format this book has been release on with categories.
Over 7,300 total pages ... Just a sample of the contents: Title : Multifunctional Nanotechnology Research Descriptive Note : Technical Report,01 Jan 2015,31 Jan 2016 Title : Preparation of Solvent-Dispersible Graphene and its Application to Nanocomposites Descriptive Note : Technical Report Title : Improvements To Micro Contact Performance And Reliability Descriptive Note : Technical Report Title : Delivery of Nanotethered Therapies to Brain Metastases of Primary Breast Cancer Using a Cellular Trojan Horse Descriptive Note : Technical Report,15 Sep 2013,14 Sep 2016 Title : Nanotechnology-Based Detection of Novel microRNAs for Early Diagnosis of Prostate Cancer Descriptive Note : Technical Report,15 Jul 2016,14 Jul 2017 Title : A Federal Vision for Future Computing: A Nanotechnology-Inspired Grand Challenge Descriptive Note : Technical Report Title : Quantifying Nanoparticle Release from Nanotechnology: Scientific Operating Procedure Series: SOP C 3 Descriptive Note : Technical Report Title : Synthesis, Characterization And Modeling Of Functionally Graded Multifunctional Hybrid Composites For Extreme Environments Descriptive Note : Technical Report,15 Sep 2009,14 Mar 2015 Title : Equilibrium Structures and Absorption Spectra for SixOy Molecular Clusters using Density Functional Theory Descriptive Note : Technical Report Title : Nanotechnology for the Solid Waste Reduction of Military Food Packaging Descriptive Note : Technical Report,01 Apr 2008,01 Jan 2015 Title : Magneto-Electric Conversion of Optical Energy to Electricity Descriptive Note : Final performance rept. 1 Apr 2012-31 Mar 2015 Title : Surface Area Analysis Using the Brunauer-Emmett-Teller (BET) Method: Standard Operating Procedure Series: SOP-C Descriptive Note : Technical Report,30 Sep 2015,30 Sep 2016 Title : Stabilizing Protein Effects on the Pressure Sensitivity of Fluorescent Gold Nanoclusters Descriptive Note : Technical Report Title : Theory-Guided Innovation of Noncarbon Two-Dimensional Nanomaterials Descriptive Note : Technical Report,14 Feb 2012,14 Feb 2016 Title : Deterring Emergent Technologies Descriptive Note : Journal Article Title : The Human Domain and the Future of Army Warfare: Present as Prelude to 2050 Descriptive Note : Technical Report Title : Drone Swarms Descriptive Note : Technical Report,06 Jul 2016,25 May 2017 Title : OFFSETTING TOMORROW'S ADVERSARY IN A CONTESTED ENVIRONMENT: DEFENDING EXPEDITIONARY ADVANCE BASES IN 2025 AND BEYOND Descriptive Note : Technical Report Title : A Self Sustaining Solar-Bio-Nano Based Wastewater Treatment System for Forward Operating Bases Descriptive Note : Technical Report,01 Feb 2012,31 Aug 2017 Title : Radiation Hard and Self Healing Substrate Agnostic Nanocrystalline ZnO Thin Film Electronics Descriptive Note : Technical Report,26 Sep 2011,25 Sep 2015 Title : Modeling and Experiments with Carbon Nanotubes for Applications in High Performance Circuits Descriptive Note : Technical Report Title : Radiation Hard and Self Healing Substrate Agnostic Nanocrystalline ZnO Thin Film Electronics (Per5 E) Descriptive Note : Technical Report,01 Oct 2011,28 Jun 2017 Title : High Thermal Conductivity Carbon Nanomaterials for Improved Thermal Management in Armament Composites Descriptive Note : Technical Report Title : Emerging Science and Technology Trends: 2017-2047 Descriptive Note : Technical Report Title : Catalysts for Lightweight Solar Fuels Generation Descriptive Note : Technical Report,01 Feb 2013,31 Jan 2017 Title : Integrated Real-Time Control and Imaging System for Microbiorobotics and Nanobiostructures Descriptive Note : Technical Report,01 Aug 2013,31 Jul 2014
Uncertainty Quantification In Multiscale Materials Modeling
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Author : Yan Wang
language : en
Publisher: Woodhead Publishing
Release Date : 2020-03-10
Uncertainty Quantification In Multiscale Materials Modeling written by Yan Wang and has been published by Woodhead Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-10 with Technology & Engineering categories.
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