Structural relaxation in glassy polymers predicted by soft modes: a quantitative analysis

Soft Matter ◽  
2014 ◽  
Vol 10 (42) ◽  
pp. 8533-8541 ◽  
Author(s):  
Anton Smessaert ◽  
Jörg Rottler
Keyword(s):  
Quantitative Analysis ◽  
Computer Simulations ◽  
Structural Relaxation ◽  
Glassy Polymers ◽  
Low Energy ◽  
Vibrational Modes ◽  
Thermal Polymer ◽  
Soft Modes ◽  
Polymer Glass

We present a quantitative analysis of the correlation between quasi-localized, low energy vibrational modes and structural relaxation events in computer simulations of a quiescent, thermal polymer glass.

Energy shift and decay of low-energy vibrational modes

1989 ◽  
Vol 211-212 ◽  
pp. 350-353 ◽  
Author(s):  
J.A. Leiro ◽  
M. Persson
Keyword(s):  
Energy Shift ◽  
Low Energy ◽  
Vibrational Modes

Chemical-shift low-energy photoelectron diffraction: A determination of the InP(110) clean surface structural relaxation

1993 ◽  
Vol 71 (20) ◽  
pp. 3387-3390 ◽  
Author(s):  
S. Gota ◽  
R. Gunnella ◽  
Zi-Yu Wu ◽  
G. Jézéquel ◽  
C. R. Natoli ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Structural Relaxation ◽  
Low Energy ◽  
Clean Surface ◽  
Photoelectron Diffraction

scholarly journals Surface induced vibrational modes in the fluorescence spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces

2016 ◽  
Vol 18 (48) ◽  
pp. 32891-32902 ◽  
Author(s):  
A. Paulheim ◽  
C. Marquardt ◽  
M. Sokolowski ◽  
M. Hochheim ◽  
T. Bredow ◽  
...  
Keyword(s):  
Fluorescence Spectra ◽  
Low Energy ◽  
Vibrational Modes ◽  
Tetracarboxylic Acid

We report a combined experiment-theory study on low energy vibrational modes in fluorescence spectra of perylene-3,4,9,10-tetracarboxylic acid dianhydride (PTCDA) molecules.

scholarly journals Filled Skutterudite Antimonides: Validation of the Electron-Crystal Phonon-Glass Approach to New Thermoelectric Materials

1997 ◽  
Vol 478 ◽  
Author(s):  
D. Mandrus ◽  
B. C. Sales ◽  
V. Keppens ◽  
B. C. Chakoumakos ◽  
P. Dai ◽  
...  
Keyword(s):  
Specific Heat ◽  
Thermoelectric Materials ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Low Energy ◽  
Vibrational Modes ◽  
Weakly Bound ◽  
Filled Skutterudite ◽  
Resonant Ultrasound ◽  
Electron Crystal

AbstractAfter a brief review of the transport and thermoelectric properties of filled skutterudite antimonides, we present resonant ultrasound, specific heat, and inelastic neutron scattering results that establish the existence of two low-energy vibrational modes in the filled skutterudite LaFe3CoSb12. It is likely that at least one of these modes represents the localized, incoherent vibrations of the La ion in an oversized atomic “cage.” These results support the usefulness of weakly bound, “rattling” ions for the improvement of thermoelectric performance.

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