Cooling rate dependence of the glass transition temperature of polymer melts: Molecular dynamics study

2002 ◽  
Vol 117 (15) ◽  
pp. 7364-7372 ◽  
Author(s):  
Joachim Buchholz ◽  
Wolfgang Paul ◽  
Fathollah Varnik ◽  
Kurt Binder
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Cooling Rate ◽  
Polymer Melts ◽  
Rate Dependence

Glass transition of ion-containing polymer melts in bulk and thin films

Soft Matter ◽  
2021 ◽  
Vol 17 (37) ◽  
pp. 8420-8433 ◽  
Author(s):  
Wei Li ◽  
Monica Olvera de la Cruz
Keyword(s):  
Thin Films ◽  
Molecular Dynamics ◽  
Glass Transition ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Molecular Dynamics Simulations ◽  
Polymer Melts ◽  
Transition Behavior ◽  
Dynamics Simulations

We investigate the glass transition behavior of ion-containing polymers via molecular dynamics simulations, revealing its coupling with ionic correlations as well as variations of the glass transition temperature in bulk and thin films.

Dependence of the glass transition temperature on heating and cooling rate

1974 ◽  
Vol 78 (26) ◽  
pp. 2673-2677 ◽  
Author(s):  
Cornelius T. Moynihan ◽  
Allan J. Easteal ◽  
James Wilder ◽  
Joseph Tucker
Keyword(s):  
Glass Transition ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Cooling Rate ◽  
Heating And Cooling

Influence of Carbon Nanotube Aspect Ratio on Glass Transition Temperature of Polymers: A Molecular Dynamics Simulation Study

2015 ◽  
Vol 817 ◽  
pp. 797-802 ◽  
Author(s):  
Cai Jiang ◽  
Jian Wei Zhang ◽  
Shao Feng Lin ◽  
Su Ju ◽  
Da Zhi Jiang
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Carbon Nanotube ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Aspect Ratio ◽  
Epoxy Resin ◽  
Md Simulations ◽  
Diglycidyl Ether ◽  
Dynamics Simulation

Molecular dynamics (MD) simulations on three single walled carbon nanotube (SWCNT) reinforced epoxy resin composites were conducted to study the influence of SWCNT type on the glass transition temperature (Tg) of the composites. The composite matrix is cross-linked epoxy resin based on the epoxy monomers bisphenol A diglycidyl ether (DGEBA) cured by diaminodiphenylmethane (DDM). MD simulations of NPT (constant number of particles, constant pressure and constant temperature) dynamics were carried out to obtain density as a function of temperature for each composite system. The Tg was determined as the temperature corresponding to the discontinuity of plot slopes of the densityvsthe temperature. In order to understand the motion of polymer chain segments above and below the Tg, various energy components and the MSD at various temperatures of the composites were investigated and their roles played in the glass transition process were analyzed. The results show that the Tg of the composites increases with increasing aspect ratio of the embedded SWCNT

Simulated glass-forming polymer melts: Glass transition temperature and elastic constants of the glassy state

2011 ◽  
Vol 34 (9) ◽  
Author(s):  
B. Schnell ◽  
H. Meyer ◽  
C. Fond ◽  
J. P. Wittmer ◽  
J. Baschnagel
Keyword(s):  
Glass Transition ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Elastic Constants ◽  
Polymer Melts ◽  
Glassy State ◽  
Glass Forming

scholarly journals Investigating the glass transition temperature at the atom-level in select model polyamides: A molecular dynamics study

Polymer ◽  
2015 ◽  
Vol 81 ◽  
pp. 50-61 ◽  
Author(s):  
Tanya L. Chantawansri ◽  
In-Chul Yeh ◽  
Alex J. Hsieh
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Transition Temperature ◽  
Glass Transition Temperature ◽  
Atom Level

Conformational analysis and molecular dynamics of glass-forming aromatic thiacrown ethers

2020 ◽  
Vol 22 (32) ◽  
pp. 17948-17959
Author(s):  
Hubert Hellwig ◽  
Andrzej Nowok ◽  
Jan Grzegorz Małecki ◽  
Piotr Kuś ◽  
Agnieszka Jędrzejowska ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Glass Transition ◽  
Transition Temperature ◽  
Dielectric Properties ◽  
Glass Transition Temperature ◽  
Conformational Analysis ◽  
Ring Type ◽  
Glass Forming ◽  
Thiacrown Ethers

The dielectric properties, glass transition temperature and molecular dynamics of thiacrown ethers are strongly dependent on the thiacrown ring type.

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