A novel shift in the glass transition temperature of polymer nanocomposites: A molecular dynamics simulation study

The effect of nanoparticles on the glass transition temperature, Tg, of polymer nanocomposites is studied by using molecular dynamics simulations. Tg is estimated from the variation of system volume with...

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Glassy State and Glass Transition-Its Elucidation and New Applications. II. Molecular Dynamics Simulation Study on the Bulk Modulus above and below the Glass Transition Temperature.

KOBUNSHI RONBUNSHU ◽

10.1295/koron.53.852 ◽

1996 ◽

Vol 53 (12) ◽

pp. 852-859 ◽

Cited By ~ 3

Author(s):

Kenji MORIKAMI ◽

Eiji KUCHIKI ◽

Tetsuya KAWAMURA ◽

Yuji FUJITA ◽

Shigeyuki TOKI

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulation ◽

Bulk Modulus ◽

Simulation Study ◽

Glassy State ◽

Dynamics Simulation ◽

New Applications

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Simulation study on the effect of nanoparticle size on the glass transition temperature of polymer nanocomposites

Soft Matter ◽

10.1039/d1sm00843a ◽

2021 ◽

Author(s):

Raja Azhar Ashraaf Khan ◽

Hang-Kai Qi ◽

Jian-Hua Huang ◽

Meng-Bo Luo

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulations ◽

Polymer Nanocomposites ◽

Simulation Study ◽

Nanoparticle Size ◽

Dynamics Simulations

The effect of the size of nanoparticles, σNP, on the glass transition temperature, Tg, of polymer nanocomposites is studied by using molecular dynamics simulations. The variation of Tg with σNP...

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Predict the glass transition temperature and plasticization of β-cyclodextrin/water binary system by molecular dynamics simulation

Carbohydrate Research ◽

10.1016/j.carres.2014.10.026 ◽

2015 ◽

Vol 401 ◽

pp. 89-95 ◽

Cited By ~ 12

Author(s):

Guohui Zhou ◽

Tianhai Zhao ◽

Jie Wan ◽

Chengmei Liu ◽

Wei Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulation ◽

Binary System ◽

Dynamics Simulation

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Validation of Force Fields of Rubber through Glass-Transition Temperature Calculation by Microsecond Atomic-Scale Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b10789 ◽

2016 ◽

Vol 120 (7) ◽

pp. 1367-1379 ◽

Cited By ~ 25

Author(s):

Pragati Sharma ◽

Sudip Roy ◽

Hossein Ali Karimi-Varzaneh

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulation ◽

Force Fields ◽

Atomic Scale ◽

Dynamics Simulation ◽

Temperature Calculation

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Molecular dynamics simulation on glass transition temperature of isomeric polyimide

eXPRESS Polymer Letters ◽

10.3144/expresspolymlett.2009.83 ◽

2009 ◽

Vol 3 (10) ◽

pp. 665-675 ◽

Cited By ~ 29

Author(s):

M. Li ◽

X. Y. Liu ◽

J. Q. Qin ◽

Y. Gu

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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DEPENDENCE OF THE GLASS TRANSITION TEMPERATURE ON DENSITY IN A SOFT SPHERE SYSTEM WITH MORSE POTENTIAL

Modern Physics Letters B ◽

10.1142/s0217984902004214 ◽

2002 ◽

Vol 16 (18) ◽

pp. 669-675

Author(s):

HAO-YANG LIU ◽

WEN-BING ZHANG ◽

XIAN-WU ZOU ◽

YIN-QUAN YUAN ◽

ZHUN-ZHI JIN

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulation ◽

Partition Function ◽

Morse Potential ◽

Function Analysis ◽

Dynamics Simulation ◽

Soft Sphere

The glass transition for the soft sphere system with Morse potential was investigated based on molecular dynamics simulation and partition function analysis. The dependence of the glass transition temperature on the density and the softness of the potential was obtained.

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