Atomistic Molecular Dynamics Simulation of Polydisperse Linear Polyethylene Melts

Vagelis A. Harmandaris; Vlasis G. Mavrantzas; Doros N. Theodorou

doi:10.1021/ma980698p

Atomistic Molecular Dynamics Simulation of Polydisperse Linear Polyethylene Melts

Macromolecules ◽

10.1021/ma980698p ◽

1998 ◽

Vol 31 (22) ◽

pp. 7934-7943 ◽

Cited By ~ 125

Author(s):

Vagelis A. Harmandaris ◽

Vlasis G. Mavrantzas ◽

Doros N. Theodorou

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Linear Polyethylene ◽

Polyethylene Melts

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Molecular dynamics simulation of linear polyethylene blends: Effect of molar mass bimodality on topological characteristics and mechanical behavior

Polymer ◽

10.1016/j.polymer.2018.12.012 ◽

2019 ◽

Vol 161 ◽

pp. 139-150 ◽

Cited By ~ 14

Author(s):

Ali Moyassari ◽

Thomas Gkourmpis ◽

Mikael S. Hedenqvist ◽

Ulf W. Gedde

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Mechanical Behavior ◽

Molar Mass ◽

Dynamics Simulation ◽

Linear Polyethylene ◽

Polyethylene Blends ◽

Topological Characteristics

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An accelerated united-atom molecular dynamics simulation on the fast crystallization of ring polyethylene melts

The Journal of Chemical Physics ◽

10.1063/1.5080332 ◽

2019 ◽

Vol 150 (7) ◽

pp. 074901 ◽

Cited By ~ 7

Author(s):

Katsumi Hagita ◽

Susumu Fujiwara ◽

Nobuyuki Iwaoka

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Polyethylene Melts

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Atomistic Molecular Dynamics simulation of short–chain branched polyethylene melts

Computer Aided Chemical Engineering - Multiscale Modelling of Polymer Properties ◽

10.1016/s1570-7946(06)80016-7 ◽

2006 ◽

pp. 333-357

Author(s):

Nikos Ch. Karayiannis ◽

Vlasis G. Mavrantzas ◽

Dimitrios Mouratides ◽

Elias Chiotellis ◽

Costas Kiparissides

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Short Chain ◽

Branched Polyethylene ◽

Polyethylene Melts

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Retardation on Blending in the Entangled Binary Blends of Linear Polyethylene: A Molecular Dynamics Simulation Study

Macromolecules ◽

10.1021/acs.macromol.9b00047 ◽

2019 ◽

Vol 52 (9) ◽

pp. 3404-3416

Author(s):

Lukun Feng ◽

Peiyuan Gao ◽

Hongxia Guo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Binary Blends ◽

Linear Polyethylene

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Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Cited By ~ 24

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Cited By ~ 5

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

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A molecular dynamics simulation for an ODIC phase. - III. Analysis of the correlation functions

Journal de Physique ◽

10.1051/jphys:01987004805082100 ◽

1987 ◽

Vol 48 (5) ◽

pp. 821-835 ◽

Cited By ~ 6

Author(s):

Ph. Buchet ◽

R.M. Pick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Correlation Functions ◽

Dynamics Simulation ◽

Phase Iii

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ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

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