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

Journal of Physical Chemistry B

Volumn 120, Issue 7, 2016, Pages 1367-1379

  Sharma, Pragati ^a   Roy, Sudip ^a   Karimi Varzaneh, Hossein Ali ^b  

^a NATIONAL CHEMICAL LABORATORY   (India)

^b Continental Reifen Deutschland GmbH ^*  (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; AUTOCORRELATION; DENSITY (SPECIFIC GRAVITY); GLASS; MOLECULAR DYNAMICS; PHASE TRANSITIONS; POLYMERS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; RUBBER; SYNTHETIC RUBBER; TEMPERATURE; THERMAL EXPANSION;

AUTOCORRELATION FUNCTIONS; MACROSCOPIC PROPERTIES; MOLECULAR DYNAMICS SIMULATIONS; PHYSICAL PROPERTIES OF POLYMERS; QUANTUM CHEMICAL CALCULATIONS; RUBBER NANOCOMPOSITES; STRUCTURAL CHARACTERISTICS; THERMAL EXPANSION COEFFICIENTS;

GLASS TRANSITION;

EID: 84959340768     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b10789     Document Type: Article

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