Calculation of the coherent dynamic structure factor of polyisoprene from molecular dynamics simulations

Physical Review E ◽

10.1103/physreve.59.623 ◽

1999 ◽

Vol 59 (1) ◽

pp. 623-630 ◽

Author(s):

Neil E. Moe ◽

M. D. Ediger

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulations

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Unraveling the coherent dynamic structure factor of liquid water at the mesoscale by molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/5.0074588 ◽

2021 ◽

Vol 155 (24) ◽

pp. 244509

Author(s):

Fernando Alvarez ◽

Arantxa Arbe ◽

Juan Colmenero

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Liquid Water ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulations

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Collective Features in Polyisobutylene. A Study of the Static and Dynamic Structure Factor by Molecular Dynamics Simulations

Macromolecules ◽

10.1021/ma401669y ◽

2013 ◽

Vol 47 (1) ◽

pp. 447-459 ◽

Author(s):

Y. Khairy ◽

F. Alvarez ◽

A. Arbe ◽

J. Colmenero

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Dynamics Simulations

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Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor

The Journal of Chemical Physics ◽

10.1063/1.4942471 ◽

2016 ◽

Vol 144 (8) ◽

pp. 084504 ◽

Author(s):

Sriteja Mantha ◽

Arun Yethiraj

Keyword(s):

Molecular Dynamics ◽

Liquid Crystals ◽

Molecular Dynamics Simulations ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Lyotropic Liquid Crystals ◽

Dynamics Simulations

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Spatially resolved dynamic structure factor of finite systems from molecular dynamics simulations

Physical Review E ◽

10.1103/physreve.84.036406 ◽

2011 ◽

Vol 84 (3) ◽

Author(s):

Thomas Raitza ◽

Gerd Röpke ◽

Heidi Reinholz ◽

Igor Morozov

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Finite Systems ◽

Spatially Resolved ◽

Dynamics Simulations

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Single Chain Dynamic Structure Factor of Poly(ethylene oxide) in Dynamically Asymmetric Blends with Poly(methyl methacrylate). Neutron Scattering and Molecular Dynamics Simulations

Macromolecules ◽

10.1021/ma2016634 ◽

2011 ◽

Vol 45 (1) ◽

pp. 536-542 ◽

Author(s):

Martin Brodeck ◽

Fernando Alvarez ◽

Juan Colmenero ◽

Dieter Richter

Keyword(s):

Molecular Dynamics ◽

Ethylene Oxide ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

Single Chain ◽

Chain Dynamic ◽

Poly Ethylene Oxide ◽

Poly Ethylene ◽

Dynamics Simulations

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Finite-size effects in molecular dynamics simulations: Static structure factor and compressibility. I. Theoretical method

Physical Review E ◽

10.1103/physreve.53.2382 ◽

1996 ◽

Vol 53 (3) ◽

pp. 2382-2389 ◽

Author(s):

J. J. Salacuse ◽

A. R. Denton ◽

P. A. Egelstaff

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure Factor ◽

Size Effects ◽

Finite Size ◽

Theoretical Method ◽

Static Structure Factor ◽

Static Structure ◽

Finite Size Effects ◽

Dynamics Simulations

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Dynamic structure factor in a nonequilibrium fluid: A molecular-dynamics approach

Physical Review A ◽

10.1103/physreva.45.7180 ◽

1992 ◽

Vol 45 (10) ◽

pp. 7180-7183 ◽

Author(s):

M. Mareschal ◽

M. Malek Mansour ◽

G. Sonnino ◽

E. Kestemont

Keyword(s):

Molecular Dynamics ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor

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Molecular dynamics study of the incoherent and coherent contributions to the total dynamic structure factor of molten NaI

Journal of Molecular Liquids ◽

10.1016/j.molliq.2007.08.022 ◽

2007 ◽

Vol 136 (3) ◽

pp. 227-235 ◽

Author(s):

Olga Alcaraz ◽

Joaquim Trullàs

Keyword(s):

Molecular Dynamics ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor

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Structure Factor of EuCl3 Aqueous Solutions via Coupled Molecular Dynamics Simulations and Integral Equations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.9b11537 ◽

2020 ◽

Author(s):

Raj Kumar Ramamoorthy ◽

Maximilien Levesque ◽

Luc Belloni ◽

David Carriere

Keyword(s):

Molecular Dynamics ◽

Aqueous Solutions ◽

Molecular Dynamics Simulations ◽

Integral Equations ◽

Structure Factor ◽

Dynamics Simulations

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Local Dynamics of Polyethylene and Its Oligomers: A Molecular Dynamics Interpretation of the Incoherent Dynamic Structure Factor

Macromolecules ◽

10.1021/ma0256789 ◽

2003 ◽

Vol 36 (23) ◽

pp. 8864-8875 ◽

Author(s):

G. Arialdi ◽

K. Karatasos ◽

J.-P. Ryckaert ◽

V. Arrighi ◽

F. Saggio ◽

...

Keyword(s):

Molecular Dynamics ◽

Structure Factor ◽

Dynamic Structure ◽

Dynamic Structure Factor ◽

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