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Computational materials science : an introduction / / June Gunn Lee
| Computational materials science : an introduction / / June Gunn Lee |
| Autore | Lee June Gunn |
| Edizione | [Second edition.] |
| Pubbl/distr/stampa | Boca Raton : , : CRC Press, , [2017] |
| Descrizione fisica | 1 online resource (376 pages) : illustrations |
| Disciplina | 620.1/10113 |
| Soggetto topico |
Materials - Mathematical models
Materials - Data processing Molecular dynamics - Mathematics |
| ISBN |
1-4987-4975-5
1-000-00523-2 1-315-36842-0 1-4987-4976-3 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | chapter 1. Introduction -- chapter 2. Molecular dynamics -- chapter 3. MD exercises with XMD and LAMMPS -- chapter 4. First-principles methods -- chapter 5. Density functional theory -- chapter 6. Treating solids -- chapter 7. DFT exercises with quantum espresso -- chapter 8. DFT exercises with VASP -- chapter 9. DFT exercises with MedeA-VASP. |
| Record Nr. | UNINA-9910153184203321 |
Lee June Gunn
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| Boca Raton : , : CRC Press, , [2017] | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational materials science [[e-journal]]
| Computational materials science [[e-journal]] |
| Pubbl/distr/stampa | [New York, NY], : Elsevier Science Pub. Co |
| Soggetto topico |
Materials - Data processing
Materials - Computer simulation Materials science |
| Soggetto genere / forma | Periodicals. |
| ISSN | 1879-0801 |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Record Nr. | UNISA-996205611903316 |
| [New York, NY], : Elsevier Science Pub. Co | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. di Salerno | ||
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Computational materials science [[e-journal]]
| Computational materials science [[e-journal]] |
| Pubbl/distr/stampa | [New York, NY], : Elsevier Science Pub. Co |
| Soggetto topico |
Materials - Data processing
Materials - Computer simulation Materials science |
| Soggetto genere / forma | Periodicals. |
| ISSN | 1879-0801 |
| Formato | Materiale a stampa |
| Livello bibliografico | Periodico |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910146888203321 |
| [New York, NY], : Elsevier Science Pub. Co | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computer-aided materials selection during structural design [[electronic resource] /] / Committee on Application of Expert Systems to Materials Selection During Structural Design, National Materials Advisory Board, Commission on Engineering and Technical Systems, National Research Council
| Computer-aided materials selection during structural design [[electronic resource] /] / Committee on Application of Expert Systems to Materials Selection During Structural Design, National Materials Advisory Board, Commission on Engineering and Technical Systems, National Research Council |
| Pubbl/distr/stampa | Washington, D.C., : National Academy Press, c1995 |
| Descrizione fisica | 1 online resource (84 p.) |
| Disciplina | 624.1/7 |
| Soggetto topico |
Structural design - Data processing
Materials - Data processing |
| Soggetto genere / forma | Electronic books. |
| ISBN |
0-309-58767-0
0-585-03075-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
""Computer-Aided Materials Selection During Structural Design""; ""Copyright""; ""Abstract""; ""Acknowledgments""; ""Preface""; ""Contents""; ""Executive Summary""; ""VISION OF A COMPUTER-AIDED MATERIALS SELECTION SYSTEM""; ""STRATEGIES FOR OVERCOMING BARRIERS""; ""Database and Knowledge-Base Barriers""; ""Structural Design Modeling Technology Barriers""; ""GENERAL CONCLUSIONS AND RECOMMENDATIONS""; ""1 Introduction""; ""BENEFITS""; ""DEFINITIONS""; ""STUDY OBJECTIVES AND SCOPE""; ""2 Materials Selection in Structural Design""; ""CONCURRENT ENGINEERING AND DESIGN ORGANIZATION""
""MATERIALS SELECTION DURING COMPUTER-AIDED DESIGN""""SUMMARY OF MATERIALS INFORMATION REQUIREMENTS IN DESIGN""; ""3 Enhancing the Materials Selection Process in Design: A Vision""; ""INTEGRATED ENGINEERING SUPPORT IN INTEGRATED ENTERPRISES""; ""SUPPORTING STRATEGIC MATERIAL DECISIONS""; ""SUPPORTING ROUTINE MATERIAL DECISIONS""; ""SUPPORTING INNOVATIVE MATERIALS SELECTION IN DESIGN""; ""SUMMARY""; ""4 Information Technologies Pertinent to the Materials Selection Process""; ""DATABASES AND KNOWLEDGE BASES""; ""Levels of Representation""; ""Issues Concerning Knowledge-Base Development"" ""Definition of Knowledge Bases""""Development of Knowledge Bases""; ""Construction of Knowledge Bases""; ""Issues Concerning Database Development""; ""MODELING AND ANALYSIS SYSTEMS""; ""Geometric Reasoning""; ""Process Modeling""; ""Modeling of Abstraction of Downstream Constraints""; ""Measurement Modeling""; ""Quantitative Nondestructive Evaluation""; ""Damage-Tolerant Design""; ""Probability of Detection""; ""Issues Concerning Implementing Modeling and Analysis Systems""; ""5 Conclusions and Recommendations""; ""STRATEGIES FOR OVERCOMING BARRIERS"" ""Database and Knowledge-Base Barriers""""Structural Design Modeling Technology Barriers""; ""GENERAL CONCLUSIONS AND RECOMMENDATIONS""; ""References""; ""Appendix A: Glossary of Acronyms""; ""Appendix B: Case Studies Reviewed by the Committee""; ""Appendix C: Review of Selected Knowledge-Representation Techniques and Tools""; ""CASE-BASED REASONING""; ""CONSTRAINT-BASED REASONING""; ""ACTIVE DATA DICTIONARIES""; ""DATABASES""; ""FUZZY LOGIC""; ""GEOMETRIC AND MICROSTRUCTURAL INFORMATION REPRESENTATION""; ""HYPERDOCUMENTS""; ""MACHINE LEARNING""; ""MATHEMATICAL RELATIONS"" ""NEURAL NETWORKS""""OBJECTS AND TAXONOMIES""; ""REASONING WITH UNCERTAINTY""; ""RULE-BASED REASONING""; ""SPATIAL SYNTHESIS AND LAYOUT""; ""STRUCTURE SELECTION""; ""TRUTH MAINTENANCE""; ""Appendix D: Knowledge-Based Integrated Design System""; ""INTRODUCTION""; ""THE CASE STUDY""; ""Appendix E: An Intelligent Knowledge System for Selection of Materials for Critical Aerospace Applications""; ""INTRODUCTION""; ""VISION OF THE SYSTEM""; ""TECHNOLOGIES INCLUDED IN THE SYSTEM""; ""Conceptual Model of an Intelligent-Knowledge-System""; ""IKSMAT Architecture and Operating Capabilities"" ""STATUS OF DEVELOPMENT AND BARRIERS TO IMPLEMENTATION"" |
| Record Nr. | UNINA-9910456260303321 |
| Washington, D.C., : National Academy Press, c1995 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computer-aided materials selection during structural design [[electronic resource] /] / Committee on Application of Expert Systems to Materials Selection During Structural Design, National Materials Advisory Board, Commission on Engineering and Technical Systems, National Research Council
| Computer-aided materials selection during structural design [[electronic resource] /] / Committee on Application of Expert Systems to Materials Selection During Structural Design, National Materials Advisory Board, Commission on Engineering and Technical Systems, National Research Council |
| Pubbl/distr/stampa | Washington, D.C., : National Academy Press, c1995 |
| Descrizione fisica | 1 online resource (84 p.) |
| Disciplina | 624.1/7 |
| Soggetto topico |
Structural design - Data processing
Materials - Data processing |
| ISBN |
0-309-17665-4
0-309-58767-0 0-585-03075-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
""Computer-Aided Materials Selection During Structural Design""; ""Copyright""; ""Abstract""; ""Acknowledgments""; ""Preface""; ""Contents""; ""Executive Summary""; ""VISION OF A COMPUTER-AIDED MATERIALS SELECTION SYSTEM""; ""STRATEGIES FOR OVERCOMING BARRIERS""; ""Database and Knowledge-Base Barriers""; ""Structural Design Modeling Technology Barriers""; ""GENERAL CONCLUSIONS AND RECOMMENDATIONS""; ""1 Introduction""; ""BENEFITS""; ""DEFINITIONS""; ""STUDY OBJECTIVES AND SCOPE""; ""2 Materials Selection in Structural Design""; ""CONCURRENT ENGINEERING AND DESIGN ORGANIZATION""
""MATERIALS SELECTION DURING COMPUTER-AIDED DESIGN""""SUMMARY OF MATERIALS INFORMATION REQUIREMENTS IN DESIGN""; ""3 Enhancing the Materials Selection Process in Design: A Vision""; ""INTEGRATED ENGINEERING SUPPORT IN INTEGRATED ENTERPRISES""; ""SUPPORTING STRATEGIC MATERIAL DECISIONS""; ""SUPPORTING ROUTINE MATERIAL DECISIONS""; ""SUPPORTING INNOVATIVE MATERIALS SELECTION IN DESIGN""; ""SUMMARY""; ""4 Information Technologies Pertinent to the Materials Selection Process""; ""DATABASES AND KNOWLEDGE BASES""; ""Levels of Representation""; ""Issues Concerning Knowledge-Base Development"" ""Definition of Knowledge Bases""""Development of Knowledge Bases""; ""Construction of Knowledge Bases""; ""Issues Concerning Database Development""; ""MODELING AND ANALYSIS SYSTEMS""; ""Geometric Reasoning""; ""Process Modeling""; ""Modeling of Abstraction of Downstream Constraints""; ""Measurement Modeling""; ""Quantitative Nondestructive Evaluation""; ""Damage-Tolerant Design""; ""Probability of Detection""; ""Issues Concerning Implementing Modeling and Analysis Systems""; ""5 Conclusions and Recommendations""; ""STRATEGIES FOR OVERCOMING BARRIERS"" ""Database and Knowledge-Base Barriers""""Structural Design Modeling Technology Barriers""; ""GENERAL CONCLUSIONS AND RECOMMENDATIONS""; ""References""; ""Appendix A: Glossary of Acronyms""; ""Appendix B: Case Studies Reviewed by the Committee""; ""Appendix C: Review of Selected Knowledge-Representation Techniques and Tools""; ""CASE-BASED REASONING""; ""CONSTRAINT-BASED REASONING""; ""ACTIVE DATA DICTIONARIES""; ""DATABASES""; ""FUZZY LOGIC""; ""GEOMETRIC AND MICROSTRUCTURAL INFORMATION REPRESENTATION""; ""HYPERDOCUMENTS""; ""MACHINE LEARNING""; ""MATHEMATICAL RELATIONS"" ""NEURAL NETWORKS""""OBJECTS AND TAXONOMIES""; ""REASONING WITH UNCERTAINTY""; ""RULE-BASED REASONING""; ""SPATIAL SYNTHESIS AND LAYOUT""; ""STRUCTURE SELECTION""; ""TRUTH MAINTENANCE""; ""Appendix D: Knowledge-Based Integrated Design System""; ""INTRODUCTION""; ""THE CASE STUDY""; ""Appendix E: An Intelligent Knowledge System for Selection of Materials for Critical Aerospace Applications""; ""INTRODUCTION""; ""VISION OF THE SYSTEM""; ""TECHNOLOGIES INCLUDED IN THE SYSTEM""; ""Conceptual Model of an Intelligent-Knowledge-System""; ""IKSMAT Architecture and Operating Capabilities"" ""STATUS OF DEVELOPMENT AND BARRIERS TO IMPLEMENTATION"" |
| Record Nr. | UNINA-9910778761703321 |
| Washington, D.C., : National Academy Press, c1995 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Computer-aided materials selection during structural design / / Committee on Application of Expert Systems to Materials Selection During Structural Design, National Materials Advisory Board, Commission on Engineering and Technical Systems, National Research Council
| Computer-aided materials selection during structural design / / Committee on Application of Expert Systems to Materials Selection During Structural Design, National Materials Advisory Board, Commission on Engineering and Technical Systems, National Research Council |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Washington, D.C., : National Academy Press, c1995 |
| Descrizione fisica | 1 online resource (84 p.) |
| Disciplina | 624.1/7 |
| Soggetto topico |
Structural design - Data processing
Materials - Data processing |
| ISBN |
0-309-17665-4
0-309-58767-0 0-585-03075-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
""Computer-Aided Materials Selection During Structural Design""; ""Copyright""; ""Abstract""; ""Acknowledgments""; ""Preface""; ""Contents""; ""Executive Summary""; ""VISION OF A COMPUTER-AIDED MATERIALS SELECTION SYSTEM""; ""STRATEGIES FOR OVERCOMING BARRIERS""; ""Database and Knowledge-Base Barriers""; ""Structural Design Modeling Technology Barriers""; ""GENERAL CONCLUSIONS AND RECOMMENDATIONS""; ""1 Introduction""; ""BENEFITS""; ""DEFINITIONS""; ""STUDY OBJECTIVES AND SCOPE""; ""2 Materials Selection in Structural Design""; ""CONCURRENT ENGINEERING AND DESIGN ORGANIZATION""
""MATERIALS SELECTION DURING COMPUTER-AIDED DESIGN""""SUMMARY OF MATERIALS INFORMATION REQUIREMENTS IN DESIGN""; ""3 Enhancing the Materials Selection Process in Design: A Vision""; ""INTEGRATED ENGINEERING SUPPORT IN INTEGRATED ENTERPRISES""; ""SUPPORTING STRATEGIC MATERIAL DECISIONS""; ""SUPPORTING ROUTINE MATERIAL DECISIONS""; ""SUPPORTING INNOVATIVE MATERIALS SELECTION IN DESIGN""; ""SUMMARY""; ""4 Information Technologies Pertinent to the Materials Selection Process""; ""DATABASES AND KNOWLEDGE BASES""; ""Levels of Representation""; ""Issues Concerning Knowledge-Base Development"" ""Definition of Knowledge Bases""""Development of Knowledge Bases""; ""Construction of Knowledge Bases""; ""Issues Concerning Database Development""; ""MODELING AND ANALYSIS SYSTEMS""; ""Geometric Reasoning""; ""Process Modeling""; ""Modeling of Abstraction of Downstream Constraints""; ""Measurement Modeling""; ""Quantitative Nondestructive Evaluation""; ""Damage-Tolerant Design""; ""Probability of Detection""; ""Issues Concerning Implementing Modeling and Analysis Systems""; ""5 Conclusions and Recommendations""; ""STRATEGIES FOR OVERCOMING BARRIERS"" ""Database and Knowledge-Base Barriers""""Structural Design Modeling Technology Barriers""; ""GENERAL CONCLUSIONS AND RECOMMENDATIONS""; ""References""; ""Appendix A: Glossary of Acronyms""; ""Appendix B: Case Studies Reviewed by the Committee""; ""Appendix C: Review of Selected Knowledge-Representation Techniques and Tools""; ""CASE-BASED REASONING""; ""CONSTRAINT-BASED REASONING""; ""ACTIVE DATA DICTIONARIES""; ""DATABASES""; ""FUZZY LOGIC""; ""GEOMETRIC AND MICROSTRUCTURAL INFORMATION REPRESENTATION""; ""HYPERDOCUMENTS""; ""MACHINE LEARNING""; ""MATHEMATICAL RELATIONS"" ""NEURAL NETWORKS""""OBJECTS AND TAXONOMIES""; ""REASONING WITH UNCERTAINTY""; ""RULE-BASED REASONING""; ""SPATIAL SYNTHESIS AND LAYOUT""; ""STRUCTURE SELECTION""; ""TRUTH MAINTENANCE""; ""Appendix D: Knowledge-Based Integrated Design System""; ""INTRODUCTION""; ""THE CASE STUDY""; ""Appendix E: An Intelligent Knowledge System for Selection of Materials for Critical Aerospace Applications""; ""INTRODUCTION""; ""VISION OF THE SYSTEM""; ""TECHNOLOGIES INCLUDED IN THE SYSTEM""; ""Conceptual Model of an Intelligent-Knowledge-System""; ""IKSMAT Architecture and Operating Capabilities"" ""STATUS OF DEVELOPMENT AND BARRIERS TO IMPLEMENTATION"" |
| Record Nr. | UNINA-9910811520003321 |
| Washington, D.C., : National Academy Press, c1995 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Handbook of software solutions for ICME / / edited by Georg J. Schmitz and Ulrich Prahl
| Handbook of software solutions for ICME / / edited by Georg J. Schmitz and Ulrich Prahl |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co. KGaA, , 2017 |
| Descrizione fisica | 1 online resource (628 p.) |
| Disciplina | 620.110113 |
| Soggetto topico |
Materials - Computer simulation
Materials - Data processing |
| Soggetto genere / forma | Electronic books. |
| ISBN |
3-527-69359-9
3-527-69358-0 3-527-69356-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Cover ; Title Page ; Copyright ; Contents ; List of Contributors ; Preface ; Chapter 1 Introduction ; 1.1 Motivation ; 1.2 What is ICME? ; 1.3 Industrial Needs for ICME ; 1.4 Present ICME ; 1.5 Scope of this Book ; 1.6 Structure of the Book ; References
Chapter 2 Modeling at the Process and Component Scales 2.1 Overview of Processing Methods and Process Chains ; 2.1.1 History of Metalworking ; 2.1.2 History of Modeling of Manufacturing Processes ; 2.1.3 Overview of Processing Methods ; 2.1.4 Processes and Process Chains 2.1.5 Benefits of Modeling Process Chains 2.1.6 Available Modeling Tools at Component Scale ; References ; Appendix ; 2.2 Primary Shaping Processes ; 2.2.1 Overview ; 2.2.1.1 Solidification and Crystal Growth ; 2.2.2 Casting ; 2.2.3 Plastics Processing ; 2.2.4 Sintering 2.2.5 Additive Manufacturing 2.2.6 Typical Applications of Simulations in Primary Shaping Processes ; 2.2.6.1 Casting ; 2.2.6.2 Plastics Processing ; 2.2.6.3 Sintering ; 2.2.7 Phenomena to be Modeled ; 2.2.7.1 Casting/Crystal Growth ; 2.2.7.2 Plastics Processing ; 2.2.7.3 Sintering 2.2.8 Basic Equations to be Solved 2.2.8.1 Casting/Plastics Processing ; 2.2.8.2 Sintering ; 2.2.9 Initial and Boundary Conditions ; 2.2.9.1 Casting ; 2.2.9.2 Plastics Processing ; 2.2.9.3 Sintering ; 2.2.10 Required Data and their Origin ; 2.2.10.1 Casting ; 2.2.10.2 Sintering 2.2.10.3 Plastics Processing |
| Record Nr. | UNINA-9910134854303321 |
| Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co. KGaA, , 2017 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Handbook of software solutions for ICME / / edited by Georg J. Schmitz and Ulrich Prahl
| Handbook of software solutions for ICME / / edited by Georg J. Schmitz and Ulrich Prahl |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co. KGaA, , 2017 |
| Descrizione fisica | 1 online resource (628 p.) |
| Disciplina | 620.110113 |
| Soggetto topico |
Materials - Computer simulation
Materials - Data processing |
| ISBN |
3-527-69359-9
3-527-69358-0 3-527-69356-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Cover ; Title Page ; Copyright ; Contents ; List of Contributors ; Preface ; Chapter 1 Introduction ; 1.1 Motivation ; 1.2 What is ICME? ; 1.3 Industrial Needs for ICME ; 1.4 Present ICME ; 1.5 Scope of this Book ; 1.6 Structure of the Book ; References
Chapter 2 Modeling at the Process and Component Scales 2.1 Overview of Processing Methods and Process Chains ; 2.1.1 History of Metalworking ; 2.1.2 History of Modeling of Manufacturing Processes ; 2.1.3 Overview of Processing Methods ; 2.1.4 Processes and Process Chains 2.1.5 Benefits of Modeling Process Chains 2.1.6 Available Modeling Tools at Component Scale ; References ; Appendix ; 2.2 Primary Shaping Processes ; 2.2.1 Overview ; 2.2.1.1 Solidification and Crystal Growth ; 2.2.2 Casting ; 2.2.3 Plastics Processing ; 2.2.4 Sintering 2.2.5 Additive Manufacturing 2.2.6 Typical Applications of Simulations in Primary Shaping Processes ; 2.2.6.1 Casting ; 2.2.6.2 Plastics Processing ; 2.2.6.3 Sintering ; 2.2.7 Phenomena to be Modeled ; 2.2.7.1 Casting/Crystal Growth ; 2.2.7.2 Plastics Processing ; 2.2.7.3 Sintering 2.2.8 Basic Equations to be Solved 2.2.8.1 Casting/Plastics Processing ; 2.2.8.2 Sintering ; 2.2.9 Initial and Boundary Conditions ; 2.2.9.1 Casting ; 2.2.9.2 Plastics Processing ; 2.2.9.3 Sintering ; 2.2.10 Required Data and their Origin ; 2.2.10.1 Casting ; 2.2.10.2 Sintering 2.2.10.3 Plastics Processing |
| Record Nr. | UNINA-9910830930703321 |
| Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co. KGaA, , 2017 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Informatics for materials science and engineering [[electronic resource] ] : data-driven discovery for accelerated experimentation and application / / edited by Krishna Rajan
| Informatics for materials science and engineering [[electronic resource] ] : data-driven discovery for accelerated experimentation and application / / edited by Krishna Rajan |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Oxford, : Butterworth-Heinemann, 2013 |
| Descrizione fisica | 1 online resource (542 p.) |
| Disciplina | 620.110285 |
| Altri autori (Persone) | RajanKrishna |
| Soggetto topico |
Data mining
Materials - Data processing Materials science |
| Soggetto genere / forma | Electronic books. |
| ISBN | 0-12-394614-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Informatics for Materials Science and Engineering; Copyright Page; Contents; Preface: A Reading Guide; Acknowledgment; 1. Materials Informatics: An Introduction; 1. The What and Why of Informatics; 2. Learning from Systems Biology: An "Omics" Approach to Mater; 3. Where Do We Get the Information?; 4. Data Mining: Data-Driven Materials Research; References; 2. Data Mining in Materials Science and Engineering; 1. Introduction; 2. Analysis Needs of Science Applications; 3. The Scientific Data-Mining Process; 4. Image Analysis; 5. Dimension Reduction; 5.1 Feature Selection Techniques
Distance Filter Chi-Squared Filter; Stump Filter; Relief; 5.2 Feature Transformation Techniques; Principal Component Analysis (PCA); Isomap; Locally Linear Embedding (LLE); Laplacian Eigenmaps; 5.3 Comparison of Dimension Reduction Methods; 6. Building Predictive and Descriptive Models; 6.1 Classification and Regression; 6.2 Clustering; 7. Further Reading; Acknowledgments; References; 3. Novel Approaches to Statistical Learning in Materials Science; 1. Introduction; 2. The Supervised Binary Classification Learning Problem; 3. Incorporating Side Information; 4. Conformal Prediction 5. Optimal Learning 6. Optimal Uncertainty Quantification; 7. Clustering Including Statistical Physics Approaches; 8. Materials Science Example: The Search for New Piezoelectrics; 9. Conclusion; 10. Further Reading; Acknowledgments; References; 4. Cluster Analysis: Finding Groups in Data; 1. Introduction; 2. Unsupervised Learning; 2.1 Principal Components Analysis; 2.2 Clustering; 3. Different Clustering Algorithms and their Implementations in R; 3.1 Agglomerative Hierarchical; 3.2 K-Means; 3.3 Divisive Hierarchical; 3.4 Partitioning Around Medoids (PAM); 3.5 Fuzzy Analysis (FANNY) 4. Validations of Clustering Results 4.1 Dunn Index; 4.2 Silhouette Width; 4.3 Connectivity; 5. Rank Aggregation of Clustering Results; 6. Further Reading; Acknowledgments; References; 5. Evolutionary Data-Driven Modeling; 1. Preamble; 2. The Concept of Pareto Tradeoff; 3. Evolutionary Neural Net and Pareto Tradeoff; 4. Selecting the Appropriate Model in EvoNN; 5. Conventional Genetic Programming; 6. Bi-Objective Genetic Programming; 6.1 BioGP Code; 7. Analyzing the Variable Response in EvoNN and BioGP; 8. An Application in the Materials Area; 9. Further Reading; References 6. Data Dimensionality Reduction in Materials Science 1. Introduction; 2. Dimensionality Reduction: Basic Ideas and Taxonomy; 3. Dimensionality Reduction Methods: Algorithms, Advantages, and Disadvantages; 3.1 Principal Component Analysis (PCA); PCA Algorithm; 3.2 Isomap; Isomap Algorithm; 3.3 Locally Linear Embedding; LLE Algorithm; 3.4 Hessian LLE; hLLE Algorithm; 4. Dimensionality Estimators; 5. Software; 5.1 Core Functionality; 5.2 User Interface; 6. Analyzing Two Material Science Data Sets: Apatites and Organic Solar Cells; 6.1 Apatite Data; Dimensionality Estimation 6.2 Unraveling Process-Morphology Pathways of Organic Solar Cells using SETDiR |
| Record Nr. | UNINA-9910452778103321 |
| Oxford, : Butterworth-Heinemann, 2013 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
