Molecular Dynamics of the Asymmetric Blend PVME/PS Revisited by Broadband Dielectric and Specific Heat Spectroscopy: Evidence of Multiple Glassy Dynamics

2019 ◽  
Vol 52 (4) ◽  
pp. 1620-1631 ◽  
Author(s):  
Paulina Szymoniak ◽  
Sherif Madkour ◽  
Andreas Schönhals
Keyword(s):  
Molecular Dynamics ◽  
Specific Heat ◽  
Glassy Dynamics ◽  
Specific Heat Spectroscopy

Origin of glassy dynamics in a liquid crystal studied by broadband dielectric and specific heat spectroscopy

2007 ◽  
Vol 75 (6) ◽  
Author(s):  
A. R. Brás ◽  
M. Dionísio ◽  
H. Huth ◽  
Ch. Schick ◽  
A. Schönhals
Keyword(s):  
Liquid Crystal ◽  
Specific Heat ◽  
Glassy Dynamics ◽  
Specific Heat Spectroscopy

Molecular dynamics of a discotic liquid crystal investigated by a combination of dielectric relaxation and specific heat spectroscopy

Soft Matter ◽  
2012 ◽  
Vol 8 (43) ◽  
pp. 11115 ◽  
Author(s):  
Christina Krause ◽  
Huajie Yin ◽  
Carole Cerclier ◽  
Denis Morineau ◽  
Andreas Wurm ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystal ◽  
Specific Heat ◽  
Dielectric Relaxation ◽  
Discotic Liquid Crystal ◽  
Specific Heat Spectroscopy

scholarly journals Thermal Properties of Yttrium Aluminum Garnett From Molecular Dynamics Simulations

2011 ◽  
Author(s):  
Majid S. al-Dosari ◽  
D. G. Walker
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Thermal Expansion ◽  
Thermal Properties ◽  
Specific Heat ◽  
Molecular Dynamics Simulations ◽  
Yttrium Aluminum Garnet ◽  
System Size ◽  
Yttrium Aluminum ◽  
Dynamics Simulations

Yttrium Aluminum Garnet (YAG, Y3Al5O12) and its varieties have applications in thermographic phosphors, lasing mediums, and thermal barriers. In this work, thermal properties of crystalline YAG where aluminum atoms are substituted with gallium atoms (Y3(Al1−xGax)5O12) are explored with molecular dynamics simulations. For YAG at 300K, the simulations gave values close to experimental values for constant-pressure specific heat, thermal expansion, and bulk thermal conductivity. For various values of x, the simulations predicted no change in thermal expansion, an increase in specific heat, and a decrease in thermal conductivity for x = 50%. Furthermore, the simulations predicted a decrease in thermal conductivity with decreasing system size.

scholarly journals Low-temperature specific heat and glassy dynamics of a polymorphic molecular solid

1998 ◽  
Vol 58 (2) ◽  
pp. 745-755 ◽  
Author(s):  
C. Talón ◽  
M. A. Ramos ◽  
S. Vieira ◽  
G. J. Cuello ◽  
F. J. Bermejo ◽  
...  
Keyword(s):  
Low Temperature ◽  
Specific Heat ◽  
Glassy Dynamics ◽  
Low Temperature Specific Heat ◽  
Molecular Solid

scholarly journals Molecular Dynamics Calculation of the Thermodynamic Properties of Methane

1975 ◽  
Vol 28 (3) ◽  
pp. 315 ◽  
Author(s):  
HJM Hanley ◽  
RO Watts
Keyword(s):  
Molecular Dynamics ◽  
Thermodynamic Properties ◽  
Specific Heat ◽  
Low Temperatures ◽  
Spherically Symmetric ◽  
Method Of Molecular Dynamics ◽  
Experimental Values ◽  
Dynamics Calculation ◽  
Liquid States ◽  
Three Body

Thermodynamic properties of methane in the dense gas and liquid states have been calculated by the method of molecular dynamics. The methane pair interactions were modelled using a spherically symmetric m-6-8 potential, and the most significant three-body and quantum effects were included. Agreement between calculated and experimental values for the energy and pressure is generally good except at low temperatures and high densities. The specific heat at constant volume is also briefly discussed.

scholarly journals Molecular dynamics of itraconazole confined in thin supported layers

RSC Advances ◽  
2014 ◽  
Vol 4 (54) ◽  
pp. 28432-28438 ◽  
Author(s):  
Emmanuel Urandu Mapesa ◽  
Magdalena Tarnacka ◽  
Ewa Kamińska ◽  
Karolina Adrjanowicz ◽  
Mateusz Dulski ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Relaxation Process ◽  
Glassy Dynamics

While glassy dynamics remain largely uninfluenced by confinement, the δ-relaxation process slows down close to the glass transition.

Unexpected behavior of ultra-thin films of blends of polystyrene/poly(vinyl methyl ether) studied by specific heat spectroscopy

2017 ◽  
Vol 146 (20) ◽  
pp. 203321 ◽  
Author(s):  
Sherif Madkour ◽  
Paulina Szymoniak ◽  
Christoph Schick ◽  
Andreas Schönhals
Keyword(s):  
Thin Films ◽  
Specific Heat ◽  
Methyl Ether ◽  
Vinyl Methyl ◽  
Vinyl Methyl Ether ◽  
Specific Heat Spectroscopy ◽  
Unexpected Behavior
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