A molecular dynamics simulation study of the α-relaxation in a 1,4-polybutadiene melt as probed by the coherent dynamic structure factor

Grant D. Smith; Dmitry Bedrov; Wolfgang Paul

doi:10.1063/1.1781114

A molecular dynamics simulation study of the α-relaxation in a 1,4-polybutadiene melt as probed by the coherent dynamic structure factor

The Journal of Chemical Physics ◽

10.1063/1.1781114 ◽

2004 ◽

Vol 121 (10) ◽

pp. 4961-4967 ◽

Cited By ~ 17

Author(s):

Grant D. Smith ◽

Dmitry Bedrov ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulation ◽

Polybutadiene Melt

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Molecular-dynamics simulation for the dynamic-structure factor of commensurate krypton on graphite

Physical Review B ◽

10.1103/physrevb.44.3297 ◽

1991 ◽

Vol 44 (7) ◽

pp. 3297-3303 ◽

Cited By ~ 11

Author(s):

N. D. Shrimpton ◽

W. A. Steele

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulation

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Density expansion of the dynamic structure factor from molecular dynamics simulation

Journal of Molecular Structure ◽

10.1016/0022-2860(93)80137-k ◽

1993 ◽

Vol 296 (3) ◽

pp. 221-227 ◽

Cited By ~ 3

Author(s):

Ubaldo Bafile ◽

Fabrizio Barocchi ◽

Martin Neumann

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulation ◽

Density Expansion

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Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: A molecular dynamics simulation study

Physical Review E ◽

10.1103/physreve.70.011804 ◽

2004 ◽

Vol 70 (1) ◽

Cited By ~ 11

Author(s):

Dmitry Bedrov ◽

Grant D. Smith ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

Dynamics Simulation

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A molecular-dynamics simulation study of dielectric relaxation in a 1,4-polybutadiene melt

The Journal of Chemical Physics ◽

10.1063/1.1518684 ◽

2002 ◽

Vol 117 (22) ◽

pp. 10350-10359 ◽

Cited By ~ 48

Author(s):

Grant D. Smith ◽

Oleg Borodin ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dielectric Relaxation ◽

Simulation Study ◽

Dynamics Simulation ◽

Polybutadiene Melt

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Quasielastic Neutron Scattering and Molecular Dynamics Simulation Study on the Structure Factor of Poly(ethylene-alt-propylene)

Macromolecules ◽

10.1021/ma9016407 ◽

2009 ◽

Vol 42 (21) ◽

pp. 8271-8285 ◽

Cited By ~ 21

Author(s):

R. Pérez-Aparicio ◽

A. Arbe ◽

F. Alvarez ◽

J. Colmenero ◽

L. Willner

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Simulation Study ◽

Structure Factor ◽

Dynamics Simulation ◽

Quasielastic Neutron ◽

Quasielastic Neutron Scattering ◽

Poly Ethylene

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Molecular dynamics simulation study of the response of polyurea to a shock

10.26226/morressier.5f5f8e69aa777f8ba5bd5f91 ◽

2020 ◽

Author(s):

Manva Manva

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Salient Structural Features of Human Lemur Tyrosine Kinase 3 (LMTK3) Domain from Molecular Dynamics Simulation Study

Current Biotechnology ◽

10.2174/2213529404666180125161856 ◽

2018 ◽

Vol 7 (4) ◽

pp. 309-316

Author(s):

Himakshi Sarma ◽

Venkata Satish Kumar Mattaparthi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Dynamics Simulation

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Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

Chemical Physics Letters ◽

10.1016/j.cplett.2005.05.035 ◽

2005 ◽

Vol 410 (1-3) ◽

pp. 54-58 ◽

Cited By ~ 12

Author(s):

Aiko Hayashi ◽

Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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Regimes of Flow over Complex Structures of Endothelial Glycocalyx: A Molecular Dynamics Simulation Study

Scientific Reports ◽

10.1038/s41598-018-24041-7 ◽

2018 ◽

Vol 8 (1) ◽

Cited By ~ 6

Author(s):

Xi Zhuo Jiang ◽

Muye Feng ◽

Yiannis Ventikos ◽

Kai H. Luo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Endothelial Glycocalyx ◽

Complex Structures

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Molecular dynamics simulation study of the effect of a strong electric field on the structure of a poly(oxyethylene) chain in explicit solvents

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116622 ◽

2021 ◽

pp. 116622

Author(s):

Šárka Dědičová ◽

Jan Dočkal ◽

Filip Moučka ◽

Jan Jirsák

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Electric Field ◽

Simulation Study ◽

Strong Electric Field ◽

Dynamics Simulation

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