: Sibylle Gemming, Michael Schreiber, Jens-Boie Suck
: Sibylle Gemming, Michael Schreiber, Jens-Boie Suck
: Materials for Tomorrow Theory, Experiments and Modelling
: Springer-Verlag
: 9783540479710
: 1
: CHF 85.40
:
: Maschinenbau, Fertigungstechnik
: English
: 194
: Wasserzeichen/DRM
: PC/MAC/eReader/Tablet
: PDF

This book contains six chapters on central topics in materials science. Each is written by specialists and gives a state-of-art presentation of the subject for graduate students and scientists not necessarily working in that field. Computer simulations of new materials, theory and experimental work are all extensively discussed. Most of the topics discussed have a bearing on nanomaterials and nanodevices.



Sibylle Gemming is senior scientist at the Institute of Ion-Beam Physics and Materials Research, Forschungszentrum Rossendorf, Dresden, Germany

Michael Schreiber holds the chair of Theory of Disordered Systems at Chemnitz University of Technology

Jens-Boie Suck held a chair of Material Science and Liquids at Chemnitz University of Technology, Germany. Now em.Prof. of the same University, Extraordinarius at the University of Bale, Switzerland

Preface6
Contents9
List of Contributors13
1 Computer Simulations of Undercooled Fluids and Glasses15
1.1 Introduction15
1.2 A Tutorial Review of the MD Technique18
1.3 A Comparative Test of Model Potentials for Silica26
1.4 Simulations of Molten and Glassy Silicon Dioxide37
1.5 Mixtures of Silicon Dioxide with Sodium Oxide and Aluminium Oxide41
1.6 Conclusions43
References44
2 Simulation of Inorganic Nanotubes47
2.1 Introduction47
2.2 Design of Inorganic Nanotubes48
2.3 General Criteria for the Stability of Inorganic Nanotubes52
2.4 Theoretical Prediction of the Properties of Non- Carbon Nanotubes54
2.5 Conclusion68
References69
3 Spintronics: Transport Phenomena in Magnetic Nanostructures72
3.1 Introduction72
3.2 Magnetism in Nanostructures74
3.3 Transport Phenomena79
References99
4 Theoretical Investigation of Interfaces103
4.1 Interfaces Boundaries Between Two Phases103
4.2 Theoretical Methods110
4.3 Homophase Boundaries116
4.4 Heterophase Boundaries121
4.5 Summary and Outlook130
References131
5 Electronic Structure and Transport for Nanoscale Device Simulation135
5.1 Introduction135
5.2 Electronic Structure of Semiconductors137
5.3 Heterostructures142
5.4 Carrier Transport in Nanostructures147
5.5 The nextnano3 Simulation Package153
References157
6 Metallic Nanocrystals and Their Dynamical Properties159
6.1 Introduction159
6.2 Production of Nanocrystalline Materials162
6.3 Characterization of Nanocrystalline Materials167
6.4 Some General Properties of Grains and Grain Boundaries of Nanocrystals170
6.5 Some Examples of the Special Properties of Nanocrystals172
6.6 Vibrational Properties of Metallic Nanocrystalline Materials180
References196
Index203