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

Sriteja Mantha; Arun Yethiraj

doi:10.1063/1.4942471

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 ◽

Cited By ~ 6

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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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 ◽

Cited By ~ 10

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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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 ◽

Cited By ~ 24

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

Physical Review E ◽

10.1103/physreve.84.036406 ◽

2011 ◽

Vol 84 (3) ◽

Cited By ~ 10

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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Orientation and Dynamics of Benzyl Alcohol and Benzyl Alkyl Ethers Dissolved in Nematic Lyotropic Liquid Crystals.2H NMR and Molecular Dynamics Simulations

The Journal of Physical Chemistry A ◽

10.1021/jp0441590 ◽

2005 ◽

Vol 109 (30) ◽

pp. 6644-6651 ◽

Cited By ~ 6

Author(s):

H. Ahumada ◽

R. Montecinos ◽

D. P. Tieleman ◽

B. E. Weiss-López

Keyword(s):

Molecular Dynamics ◽

Liquid Crystals ◽

Molecular Dynamics Simulations ◽

Benzyl Alcohol ◽

Lyotropic Liquid Crystals ◽

2H Nmr ◽

Alkyl Ethers ◽

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 ◽

Cited By ~ 30

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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Prediction of EPR Spectra of Lyotropic Liquid Crystals using a Combination of Molecular Dynamics Simulations and the Model-Free Approach

Chemistry - A European Journal ◽

10.1002/chem.201702682 ◽

2017 ◽

Vol 23 (53) ◽

pp. 13192-13204 ◽

Cited By ~ 6

Author(s):

Christopher Prior ◽

Vasily S. Oganesyan

Keyword(s):

Molecular Dynamics ◽

Liquid Crystals ◽

Molecular Dynamics Simulations ◽

Lyotropic Liquid Crystals ◽

Epr Spectra ◽

Model Free ◽

Model Free Approach ◽

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 ◽

Cited By ~ 110

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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Substrate induced freezing, melting and depinning transitions in two-dimensional liquid crystalline systems

Physical Chemistry Chemical Physics ◽

10.1039/d1cp04366h ◽

2022 ◽

Author(s):

Bharti bharti ◽

Debabrata Deb

Keyword(s):

Molecular Dynamics ◽

Liquid Crystals ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Two Dimensional ◽

One Dimensional ◽

The One ◽

Dynamics Simulations

We use molecular dynamics simulations to investigate the ordering phenomena in two-dimensional (2D) liquid crystals over the one-dimensional periodic substrate (1DPS). We have used Gay-Berne (GB) potential to model the...

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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 ◽

Cited By ~ 22

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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