Physics – Condensed Matter – Statistical Mechanics
Scientific paper
1997-08-21
Physics
Condensed Matter
Statistical Mechanics
34 pages, Revtex, 9 eps-figures, accepted for publication in J. Chem. Phys
Scientific paper
10.1063/1.475021
Simulations on a Lennard-Jones computer glass are performed to study effects arising from defects in glasses at low temperatures. The numerical analysis reveals that already a low concentration of defects may dramatically change the low temperature properties by giving rise to extrinsic double-well potentials (DWP's). The main characteristics of these extrinsic DWP's are (i) high barrier heights, (ii) high probability that a defect is indeed connected with an extrinsic DWP, (iii) highly localized dynamics around this defect, and (iv) smaller deformation potential coupling to phonons. Designing an extension of the Standard Tunneling Model (STM) which parametrizes this picture and comparing with ultrasound experiments on the wet network glass $a$-B$_2$O$_3$ shows that effects of OH-impurities are accurately accounted for. This model is then applied to organic polymer glasses and proteins. It is suggested that side groups may act similarly like doped impurities inasmuch as extrinsic DWP's are induced, which possess a distribution of barriers peaked around a high barrier height. This compares with the structurlessly distributed barrier heights of the intrinsic DWP's, which are associated with the backbone dynamics. It is shown that this picture is consistent with elastic measurements on polymers, and can explain anomalous nonlogarithmic line broadening recently observed in hole burning experiments in PMMA.
Heuer Andreas
Neu Peter
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