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【资源】Inorganic glasses, glass-forming liquids and amorphizing solids
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长篇综述Inorganic glasses, glass-forming liquids and amorphizing solids Contents page 1. Introduction 4 2. Structure of silica and silicate glasses 11 2.1. Silica 13 2.1.1. Radial distribution function 13 2.1.2. Computer simulated structures 16 2.1.3. Network ring statistics 17 2.1.4. Quasi-periodicity 18 2.1.5. Long-range order and density fluctuations 18 2.1.6. Summary of atomic structure of silica 19 2.1.6.1. Future directions 21 2.2. Silicate glasses 23 2.2.1. Short-range ordering within the network 24 2.2.1.1. Alumino-silicates 26 2.2.2. Short-range order of modifiers 27 2.2.2.1. Transition metal components 29 2.2.2.2. Rare earth components 29 2.2.3. Intermediate-range order 31 2.2.3.1. Clustering of modifiers 31 2.2.3.2. Mixed alkali effect 35 2.2.4. Long-range order 38 2.2.4.1. Ring statistics 38 2.2.4.2. Modifier channels 39 2.2.4.3. Glass rigidity and melt fragility 41 2.2.4.4. Percolation pathways, ionic diffusion and conductivity 43 2.2.4.5. Density fluctuations, non-ergodicity and modifier channels 46 2.2.5. Network deficient silicate glasses 51 2.2.6. Summary of atomic structure of silicate glasses 52 2.2.6.1. Future directions 53 3. Structure of borate glasses 53 3.1. B2O3 glass 54 3.2. Modified borate glasses 55 3.3. Boro-aluminate and boro-silicate glasses 58 3.4. Summary of atomic structure of borate glasses 60 3.4.1. Future directions 61 4. Structure of phosphate glasses 61 4.1. P2O5 glass 62 4.2. Modified phosphate glasses 62 4.3. Intermediate-range order in phosphate glasses 64 4.4. Long-range order and fast ion conduction 66 4.5. Summary of the atomic structure of phosphate glasses 67 4.5.1. Future directions 67 5. Structure of non-oxide glasses 67 5.1. Chalcogenide glasses 68 5.1.1. Stoichiometric chalcogenide glasses 70 5.1.2. Non-stoichiometric chalcogenide glasses 70 5.1.3. Chalcogenide glasses and rigidity transitions 73 5.1.3.1. Average coordination number, constraints per atom and floppy modes 73 5.1.3.2. Heteropolar versus homopolar bonds and molecular species 74 5.1.3.3. Average coordination number and dimensionality 77 5.1.3.4. Outstanding problems 77 5.1.4. Photostructural effects 78 5.2. Halide glasses 80 5.3. Summary of atomic structure of non-oxide glasses 82 5.3.1. Future directions 82 6. Structure of glass-forming liquids 83 6.1. Non-oxide liquids 84 6.2. Liquid oxides 84 6.2.1. Liquid Al2O3 and Y2O3 85 6.3. Polyamorphism 88 6.3.1. Two-state liquids and melting maxima 88 6.3.2. Polyamorphism in supercooled liquids 89 6.3.3. Polyamorphism in liquids 90 6.4. Glasses with different fictive temperatures 91 6.4.1. Silica and silicates 92 6.4.2. Borates, boro-silicates and alumino-silicates 92 6.5. Future directions in the structure of glass-forming liquids 94 7. Relaxation in glass-forming liquids 94 7.1. Basic principles 94 7.1.1. Linear and non-linear response 95 7.1.2. Fragility 98 7.2. Models and theories of relaxation, viscous flow, and the glass transition 100 7.2.1. Free volume theory 101 7.2.2. Configurational entropy theory 101 7.2.3. Energy landscapes 103 7.2.4. Kinetically constrained models 104 7.2.5. Mode coupling theory 105 7.3. Atomic-scale mechanisms of structural relaxation and viscous flow in inorganic glass-forming liquids 107 7.3.1. Binary silicates and borates 108 7.3.2. Boro-silicates and dynamic heterogeneity 110 7.4. Fast relaxation processes and serial decoupling 112 7.5. Remnants of relaxational aspects in the vibrational dynamics: the Boson peak 113 7.5.1. Modelling the Boson peak 114 7.5.2. Boson peak, intermediate-range order and fragility 116 7.6. The unified picture of relaxation and glass transition: a reality at last? 117 8. Amorphization 120 8.1. Pressure and temperature-induced amorphization 120 8.1.1. Modelling thermobaric amorphization 122 8.2. Collapsing zeolites 123 8.3. Perfect glasses 128 8.4. Low-frequency vibrations and their role in triggering amorphization and in characterizing glasses at very low temperatures 131 8.5. Summary and future directions 136 9. Conclusions 137 Appendix on experimental and analytical techniques 140 A.1. Nuclear magnetic resonance spectroscopy 140 A.1.1. NMR spectroscopy: basic principles 140 A.1.2. Chemical shift interaction 141 A.1.3. Dipolar interaction 141 A.1.4. High-resolution magic-angle-spinning (MAS) NMR 141 A.1.5. Quadrupolar nuclides 142 A.1.6. Exchange and dynamical NMR 143 A.1.7. Spin–lattice relaxation 143 A.2. Extended X-ray Absorption Fine Structure Spectroscopy (EXAFS) 143 A.3. Vibrational spectroscopy (Infrared and Raman spectroscopies) 145 A.4. Neutron and X-ray scattering 146 A.4.1. Inelastic scattering 147 A.5. Small-angle scattering 149 A.6. Molecular dynamics simulations 149 A.6.1. Trajectories and time steps 150 A.6.2. Statistical mechanical ensembles 150 A.6.3. Interatomic potentials 150 A.6.4. Structure, dynamics and other properties 151 A.6.5. Ab initio MD 151 Frequently used symbols and acronyms 152 Acknowledgements 153 References 153 http://www.namipan.com/d/2007-AIP-Inorganic%20glasses%2c%20glass-forming%20liquids%20and%20amorphizing%20solids.pdf/eb9b0602bd3cdfc9cbff748939ddda63e1132baa882a5100 |
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