From atomic levels

In Chapter 1, Professor Wolfgang Paul initiates a theme that is prevalent throughout the first half of this book extrapolating from atomic-level phenomena to macroscopic chemical and physical properties. Professor Paul begins his chapter on the use of simulations to study the glass transition in polymer melts by describing exactly what a glass transition is from both an... 

PROHLiiM 16-2 Ohtciining pseudo potential core radii from atomic levels... 

This disadvantage can be overcome by a combination of NMR and other techniques. Combination of NMR with X-ray diffraction and electron microscopy is able to analyze the stmcture from atomic level to macro scale. In this chapter, the morphology/property relationship, the dynamics of morphological tfansition, the kinetics of crystallization, and so on, analyzed by the combination of NMR and other tools are introduced. 

The estimation of thermal properties from atomic level calculations is difficult because there is no suitable way of modeling the radiative component for heat transfer. However, as the glass is loaded with waste, this component becomes less important— because the mean path length of radiation from emission to absorption becomes shorter as the transparency of the glass decreases. Hence, in glass-waste oxide mixtures, atomistic simulations of thermal diffusivity will be more applicable as conduction will be the dominant mechanism. 

---