17 Chapter 2.7Figure 1 Deformation of a finite network of four nodes. Lines represent line...Figure 2 Schematic of a Se‐chain with five seleniums connecting two Ge atoms...Figure 3 Schematic variation of degrees of freedom (f) in three supercooled ...Figure 4 Composition dependence of the glass transition temperature for the ...Figure 5 Variation of fragility with composition in the (a) sodium borate an...Figure 6 Contrast between strong (SiO2) and highly fragile (O‐Terphenyl, OTP...
18 Chapter 2.8Figure 1 Schematic representation of periodic boundary conditions.Figure 2 Examples of potential energy models: Morse and Buckingham potential...Figure 3 As defined by Eq. (20), total correlation functions T(r) of Mg2SiO4Figure 4 Comparisons between the experimental [13] and simulated [6] X‐ray (...Figure 5 Comparisons between the experimental [13] and simulated [6] X‐ray (...Figure 6 PDF functions in simulated B2O3 glass and their structural assignme...Figure 7 Bond angle distribution in simulated B2O3 glass.Figure 8 Torsion angle distribution in simulated B2O3 glass between BO3 and ...Figure 9 Ring size distribution in simulated B2O3 and SiO2 glasses [11]. Dat...Figure 10 Vibrational density of states in simulated B2O3 glass [6]. See tex...
19 Chapter 2.9Figure 1 Contributions of the various structural units of a sodium borosilic...Figure 2 Neutron and X‐ray structural factors (a and b panel, respectively) ...Figure 3 Structural differences between bulk (BW) and surface (SW) water in ...Figure 4 Effective neutron densities of states for a‐SiO2 as obtained from a...Figure 5 (a)–(c): Infrared spectra for amorphous SiO2 as obtained from ab in...Figure 6 Application of ab initio simulations to NMR spectroscopy [29]. (a)
20 Section IIIFigure 1 The influence of quench rate on the physical properties of a window...
21 Chapter 3.1Figure 1 Critical cooling rates for glass formation. Reduced glass transitio...Figure 2 Glass formation ranges in aluminosilicate systems (shaded areas)....Figure 3 Determination of the critical cooling rate from a time temperature ...Figure 4 Entropy of the amorphous and crystalline phases of diopside, CaMgSiFigure 5 Comparison between the heat capacities of amorphous o‐terphenol mea...
22 Chapter 3.2Figure 1 Entropies of the crystal, liquid, supercooled liquid and glass phas...Figure 2 Heat capacity of PVAc measured across the glass transition range by...Figure 3 Configurational heat capacity of PVAc across the glass transition r...Figure 4 Difference between the configurational enthalpy of PVAc and a zero ...Figure 5 Simulated affinities of o‐terphenyl in the glass transition range u...Figure 6 Effect of aging on the heat capacities of PVAc recorded upon heatin...Figure 7 Effect of aging on affinities calculated with the lattice‐hole mode...
23 Chapter 3.3Figure 1 The 2‐D projection of a typical 3‐D trajectory for 100 min for ϕ...Figure 2 Schematic variation of the volume as the liquid is cooled. The free...Figure 3 Schematic variation of the communal entropy S comm (a) of the equil...Figure 4 Cell representation of a small region of disordered (a) and ordered...Figure 5 Schematic form of communal entropies in
24 Chapter 3.4Figure 1 Vibrational properties of a disordered diatomic linear chain. (a) E...Figure 2 Low‐temperature thermal properties of SiO2 phases. (a) Low‐temperat...Figure 3 Dispersion of longitudinal acoustic phonons in vitreous silica (vLAFigure 4 Raman spectra of v‐SiO2, α‐quartz, and polycrystalline α‐...Figure 5 Vibrational spectroscopy of v‐SiO2 and atomic displacements for the...Figure 6 Vibrational spectroscopy of v‐B2O3 and atomic displacements for the...Figure 7 Inverse mean free path l −1(ω, T) of longitudinal acoust...Figure 8 Vibrational excitations in v‐SiO2. (a) Dispersion curve of acoustic...Figure 9 Vibrational excitations in crystalline and amorphous silicon. (a) D...
25 Chapter 3.5Figure 1 Volume variations in the glass transition range: contrast between t...Figure 2 Imposed variation of temperature (upper panel) and associated effec...Figure 3 Effects of structural changes on the volume properties of TiO2‐bear...Figure 4 Temperature‐dependent nature of the thermal expansion coefficient o...
26 Chapter 3.6Figure 1 Stability of SiO2 forms as indicated by the dashed line where they ...Figure 2 Enthalpies of fusion of Na2SiO3 and Li2SiO3 directly measured by dr...Figure 3 Heat capacity and enthalpy above room temperature of the crystal, g...Figure 4 Relationship between the vibrational density of states, g(ν), ...Figure 5 Low‐temperature heat capacities of