Deutsch
Deutschland
Anmelden
Tipp von eurobuch.de
Ähnliche Bücher
Weitere, andere Bücher, die diesem Buch sehr ähnlich sein könnten:
Buch verkaufen
Anbieter, die das Buch mit der ISBN 9783527655052 ankaufen:
Suchtools
Buchtipps
Aktuelles
Werbung
Bezahlte Anzeige
FILTER
- 0 Ergebnisse
Kleinster Preis: 77,46 €, größter Preis: 85,86 €, Mittelwert: 83,06 €
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces - Cristian V. Ciobanu
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
(*)
Cristian V. Ciobanu:
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces - neues Buch

ISBN: 9783527655052

ID: 9783527655052

InhaltsangabePreface IX1 The Challenge of Predicting Atomic Structure 11.1 Evolution: Reality and Algorithms 21.2 Brief Historical Perspective 41.3 Scope and Organization of This Book 6References 72 The Genetic Algorithm in Real-Space Representation 112.1 Structure Determination Problems 122.1.1 Cluster Structure 122.1.2 Crystal Structure Prediction 162.1.3 Surface Reconstructions 192.1.4 Range of Applications 212.2 General Procedure 232.3 Selection of Parent Structures 242.4 Crossover Operations 262.4.1 Cut-and-Splice Crossover in Real Space 272.4.2 Crossovers and Periodic Boundary Conditions 282.5 Mutations 302.5.1 Zero-Penalty Mutations 312.5.2 Regular Mutations 312.6 Updating the Genetic Pool: Survival of the Fittest 332.7 Stopping Criteria and Subsequent Analysis 34References 353 Crystal Structure Prediction 373.1 Complexity of the Energy Landscape 383.2 Improving the Efficiency of GA 403.3 Interaction Models 413.3.1 Classical Potentials 413.3.2 Ab Initio Methods 423.3.3 Adaptive Classical Potentials 423.4 Creating the Generation-Zero Structures 443.5 Assessing Structural Diversity of the Pool 453.5.1 Fingerprint Functions 453.5.2 General Features of the PES 473.6 Variable Composition 483.7 Examples 513.7.1 Identification of Post-Pyrite Phase Transitions 513.7.1.1 Computational Details 523.7.1.2 Results and Discussion 523.7.2 Ultrahigh-Pressure Phases of Ice 573.7.2.1 Computational Details 583.7.2.2 Results and Discussion 593.7.3 Structure and Magnetic Properties of Fe& ndash Co Alloys 633.7.3.1 Computational Details 633.7.3.2 Results and Discussion 64References 674 Optimization of Atomic Clusters 714.1 Alloys, Oxides, and Other Cluster Materials 714.2 Optimization of Substrate-Supported Clusters via GA 734.3 GA Solution to the Thomson Problem 81References 855 Atomic Structure of Surfaces, Interfaces, and Nanowires 875.1 Reconstruction of Semiconductor Surfaces as a Problem of Global Optimization 885.1.1 The Genetic Algorithm for Surface Reconstructions: the Case of Si(105) 895.1.1.1 Computational Details for Si(105) 895.1.1.2 Results for Si(105) 915.1.2 New Reconstructions for a Related Surface, Si(103) 955.1.3 Model Reconstructions for Si(337), an Unstable Surface: GA Followed by DFT Relaxations 995.1.3.1 Results for Si(337) Models 1015.1.3.2 Discussion 1065.1.4 Atomic Structure of Steps on High-Index Surfaces 1075.1.4.1 Supercell Geometry and Algorithm Details 1075.1.4.2 Results for Step Structures on Si(114) 1105.2 Genetic Algorithm for Interface Structures 1145.2.1 GA for Grain Boundary Structure Optimization 1155.2.2 Structures Generated by GA 1165.2.3 Grain Boundary Energy Calculations 1215.3 Nanowire and Nanotube Structures via GA Optimizatio PTMC Results 1666.5.1.2 GA Results 1676.5.1.3 DFT Calculations 1676.5.1.4 Structural Models for Si(114) 1696.5.1.5 Discussion 1746.5.1.6 Concluding Remarks 1756.5.2 Crystal Structure Prediction: Comparison between GA and MH 1756.5.2.1 GA Applied to AlxSc1x Alloys 1766.5.2.2 Boron 1806.5.2.3 Minima Hopping 182References 1857 Perspectives and Outlook 1877.1 Expansion through the Community 1877.2 Future Algorithm Developments 1877.3 Problems to Tackle & ndash Discovery versus Design 188Index 191 Atomic Structure Prediction of Nanostructures, Clusters and Surfaces: InhaltsangabePreface IX1 The Challenge of Predicting Atomic Structure 11.1 Evolution: Reality and Algorithms 21.2 Brief Historical Perspective 41.3 Scope and Organization of This Book 6References 72 The Genetic Algorithm in Real-Space Representation 112.1 Structure Determination Problems 122.1.1 Cluster Structure 122.1.2 Crystal Structure Prediction 162.1.3 Surface Reconstructions 192.1.4 Range of Applications 212.2 General Procedure 232.3 Selection of Parent Structures 242.4 Crossover Operations 262.4.1 Cut-and-Splice Crossover in Real Space 272.4.2 Crossovers and Periodic Boundary Conditions 282.5 Mutations 302.5.1 Zero-Penalty Mutations 312.5.2 Regular Mutations 312.6 Updating the Genetic Pool: Survival of the Fittest 332.7 Stopping Criteria and Subsequent Analysis 34References 353 Crystal Structure Prediction 373.1 Complexity of the Energy Landscape 383.2 Improving the Efficiency of GA 403.3 Interaction Models 413.3.1 Classical Potentials 413.3.2 Ab Initio Methods 423.3.3 Adaptive Classical Potentials 423.4 Creating the Generation-Zero Structures 443.5 Assessing Structural Diversity of the Pool 453.5.1 Fingerprint Functions 453.5.2 General Features of the PES 473.6 Variable Composition 483.7 Examples 513.7.1 Identification of Post-Pyrite Phase Transitions 513.7.1.1 Computational Details 523.7.1.2 Results and Discussion 523.7.2 Ultrahigh-Pressure Phases of Ice 573.7.2.1 Computational Details 583.7.2.2 Results and Discussion 593.7.3 Structure and Magnetic Properties of Fe& ndash Co Alloys 633.7.3.1 Computational Details 633.7.3.2 Results and Discussion 64References 674 Optimization of Atomic Clusters 714.1 Alloys, Oxides, and Other Cluster Materials 714.2 Optimization of Substrate-Supported Clusters via GA 734.3 GA Solution to the Thomson Problem 81References 855 Atomic Structure of Surfaces, Interfaces, and Nanowires 875.1 Reconstruction of Semiconductor Surfaces as a Problem of Global Optimization 885.1.1 The Genetic Algorithm for Surface Reconstructions: the Case of Si(105) 895.1.1.1 Computational Details for Si(105) 895.1.1.2 Results for Si(105) 915.1.2 New Reconstructions for a Related Surface, Si(103) 955.1.3 Model Reconstructions for Si(337), an Unstable Surface: GA Followed by DFT Relaxations 995.1.3.1 Results for Si(337) Models 1015.1.3.2 Discussion 1065.1.4 Atomic Structure of Steps on High-Index Surfaces 1075.1.4.1 Supercell Geometry and Algorithm Details 1075.1.4.2 Results for Step Structures on Si(114) 1105.2 Genetic Algorithm for Interface Structures 1145.2.1 GA for Grain Boundary Structure Optimization 1155.2.2 Structures Generated by GA 1165.2.3 Grain Boundary Energy Calculations 1215.3 Nanowire and Nanotube Structures via GA Optimizatio PTMC Results 1666.5.1.2 GA Results 1676.5.1.3 DFT Calculations 1676.5.1.4 Structural Models for Si(114) 1696.5.1.5 Discussion 1746.5.1.6 Concluding Remarks 1756.5.2 Crystal Structure Prediction: Comparison between GA and MH 1756.5.2.1 GA Applied to AlxSc1x Alloys 1766.5.2.2 Boron 1806.5.2.3 Minima Hopping 182References 1857 Perspectives and Outlook 1877.1 Expansion through the Community 1877.2 Future Algorithm Developments 1877.3 Problems to Tackle & ndash Discovery versus Design 188Index 191 Chemie Chemistry Cluster Computational Chemistry & Molecular Modeling Computational Chemistry u. Molecular Modeling Electrical & Electronics Engineering Elektrotechnik u. Elektronik Festkörperphysik Halbleiterphysik MEMS Nanomaterialien Nanomat, Wiley-VCH

Neues Buch Rheinberg-Buch.de
Ebook, Englisch, Neuware Versandkosten:Ab 20¤ Versandkostenfrei in Deutschland, Sofort lieferbar, DE. (EUR 0.00)
Details...
(*) Derzeit vergriffen bedeutet, dass dieser Titel momentan auf keiner der angeschlossenen Plattform verfügbar ist.
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces - Cristian V. Ciobanu#Cai-Zhuan Wang#Kai-Ming Ho
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
(*)
Cristian V. Ciobanu#Cai-Zhuan Wang#Kai-Ming Ho:
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces - neues Buch

2013, ISBN: 9783527655052

ID: 850086593

This work fills the gap for a comprehensive reference conveying the developments in global optimization of atomic structures using genetic algorithms. Over the last few decades, such algorithms based on mimicking the processes of natural evolution have made their way from computer science disciplines to solid states physics and chemistry, where they have demonstrated their versatility and predictive power for many materials. Following an introduction and historical perspective, the text moves on to provide an in-depth description of the algorithm before describing its applications to crystal structure prediction, atomic clusters, surface and interface reconstructions, and quasi one-dimensional nanostructures. The final chapters provide a brief account of other methods for atomic structure optimization and perspectives on the future of the field. Atomic Structure Prediction of Nanostructures, Clusters and Surfaces eBook PDF 06.02.2013 eBooks>Fremdsprachige eBooks>Englische eBooks>Sach- & Fachthemen>Technik, Wiley-Vch Verlag GmbH, .201

Neues Buch Orellfuessli.ch
No. 39284132. Versandkosten:Zzgl. Versandkosten. (EUR 15.45)
Details...
(*) Derzeit vergriffen bedeutet, dass dieser Titel momentan auf keiner der angeschlossenen Plattform verfügbar ist.
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces - Cristian V. Ciobanu#Cai-Zhuan Wang#Kai-Ming Ho
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
(*)
Cristian V. Ciobanu#Cai-Zhuan Wang#Kai-Ming Ho:
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces - neues Buch

ISBN: 9783527655052

ID: 16204660

This work fills the gap for a comprehensive reference conveying the developments in global optimization of atomic structures using genetic algorithms. Over the last few decades, such algorithms based on mimicking the processes of natural evolution have made their way from computer science disciplines to solid states physics and chemistry, where they have demonstrated their versatility and predictive power for many materials. Following an introduction and historical perspective, the text moves on to provide an in-depth description of the algorithm before describing its applications to crystal structure prediction, atomic clusters, surface and interface reconstructions, and quasi one-dimensional nanostructures. The final chapters provide a brief account of other methods for atomic structure optimization and perspectives on the future of the field. Atomic Structure Prediction of Nanostructures, Clusters and Surfaces eBook eBooks>Fremdsprachige eBooks>Englische eBooks>Sach- & Fachthemen>Chemie, Wiley-VCH

Neues Buch Thalia.ch
No. 39284132 Versandkosten:NL (EUR 12.20)
Details...
(*) Derzeit vergriffen bedeutet, dass dieser Titel momentan auf keiner der angeschlossenen Plattform verfügbar ist.
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces - Cristian V. Ciobanu; Cai-Zhuan Wang; Kai-Ming Ho
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
(*)
Cristian V. Ciobanu; Cai-Zhuan Wang; Kai-Ming Ho:
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces - Erstausgabe

2013, ISBN: 9783527655052

ID: 26679755

[ED: 1], 1. Auflage, eBook Download (PDF), eBooks, [PU: Wiley-VCH]

Neues Buch Lehmanns.de
Versandkosten:Download sofort lieferbar, , Versandkostenfrei innerhalb der BRD. (EUR 0.00)
Details...
(*) Derzeit vergriffen bedeutet, dass dieser Titel momentan auf keiner der angeschlossenen Plattform verfügbar ist.
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces - Cristian V. Ciobanu;  Cai-Zhuan Wang;  Kai-Ming Ho
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
(*)
Cristian V. Ciobanu; Cai-Zhuan Wang; Kai-Ming Ho:
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces - Erstausgabe

2013, ISBN: 9783527655052

ID: 26679755

[ED: 1], Auflage, eBook Download (PDF), eBooks, [PU: Wiley-VCH]

Neues Buch Lehmanns.de
Versandkosten:Download sofort lieferbar, , Versandkostenfrei innerhalb der BRD (EUR 0.00)
Details...
(*) Derzeit vergriffen bedeutet, dass dieser Titel momentan auf keiner der angeschlossenen Plattform verfügbar ist.