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The Aperiodic Crystal Picture And Free Energy Barriers In Glasses, Randall W. Hall, Peter G. Wolynes
The Aperiodic Crystal Picture And Free Energy Barriers In Glasses, Randall W. Hall, Peter G. Wolynes
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The aperiodic crystal picture associates the glass transition with freezing into a nonperiodic structure. Dynamics in the glassy state involves activated jumps between different aperiodic free energy minima. Activation barriers may be estimated through the use of freezing theory and the theory of dense solids. The results resemble, but are distinct from, free volume theory. Reasonable fits to experimental data are obtained.
Calculated High‐Pressure Properties Of Solid Acetylene And Possible Polymerization Paths, Richard Alan Lesar
Calculated High‐Pressure Properties Of Solid Acetylene And Possible Polymerization Paths, Richard Alan Lesar
Richard Alan Lesar
Results of theoretical calculations at 0 K on the two known structures of solid acetylene using the modified Gordon–Kim plus damped dispersion model are reported. The lattice energy of the low temperature C m c astructure is compared to that of the high temperature P a3 structure at zero pressure and found to be slightly less stable, though a very small pressure (about 0.25 kbar) stabilizes the C m c astructure relative to the P a3 structure. Agreement between the experimental structure and energy for the C m c astructure and our present results is good. Structural properties of the …