Molecular dynamics simulations of the liquid–vapor interface of a molten salt. II. Finite size effects and comparison to experiment

Andrés Aguado; W. Scott; Paul A. Madden

doi:10.1063/1.1410394

Molecular dynamics simulations of the liquid–vapor interface of a molten salt. II. Finite size effects and comparison to experiment

The Journal of Chemical Physics ◽

10.1063/1.1410394 ◽

2001 ◽

Vol 115 (18) ◽

pp. 8612-8619 ◽

Cited By ~ 29

Author(s):

Andrés Aguado ◽

W. Scott ◽

Paul A. Madden

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molten Salt ◽

Size Effects ◽

Finite Size ◽

Finite Size Effects ◽

Vapor Interface ◽

Dynamics Simulations ◽

Liquid Vapor

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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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Molecular dynamics simulations of the liquid–vapor interface of a molten salt. I. Influence of the interaction potential

The Journal of Chemical Physics ◽

10.1063/1.1410393 ◽

2001 ◽

Vol 115 (18) ◽

pp. 8603-8611 ◽

Cited By ~ 34

Author(s):

Andrés Aguado ◽

Mark Wilson ◽

Paul A. Madden

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molten Salt ◽

Interaction Potential ◽

Vapor Interface ◽

Dynamics Simulations ◽

Liquid Vapor

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Molecular Dynamics Simulations of Asymmetric NaCl and KCl Solutions Separated by Phosphatidylcholine Bilayers: Potential Drops and Structural Changes Induced by Strong Na+-Lipid Interactions and Finite Size Effects

Biophysical Journal ◽

10.1529/biophysj.107.116335 ◽

2008 ◽

Vol 94 (9) ◽

pp. 3565-3576 ◽

Cited By ~ 78

Author(s):

Sun-Joo Lee ◽

Yuhua Song ◽

Nathan A. Baker

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Size Effects ◽

Structural Changes ◽

Finite Size ◽

Finite Size Effects ◽

Lipid Interactions ◽

Dynamics Simulations

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Finite-size effects in molecular dynamics simulations: Static structure factor and compressibility. II. Application to a model krypton fluid

Physical Review E ◽

10.1103/physreve.53.2390 ◽

1996 ◽

Vol 53 (3) ◽

pp. 2390-2401 ◽

Cited By ~ 26

Author(s):

J. J. Salacuse ◽

A. R. Denton ◽

P. A. Egelstaff ◽

M. Tau ◽

L. Reatto

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure Factor ◽

Size Effects ◽

Finite Size ◽

Static Structure Factor ◽

Static Structure ◽

Finite Size Effects ◽

Dynamics Simulations

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Finite-size effects in molecular dynamics simulations: Intermediate scattering function and velocity of sound. III. Theory and application to a model krypton fluid

Physical Review E ◽

10.1103/physreve.64.051201 ◽

2001 ◽

Vol 64 (5) ◽

Cited By ~ 3

Author(s):

J. J. Salacuse ◽

P. A. Egelstaff

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Size Effects ◽

Finite Size ◽

Velocity Of Sound ◽

Scattering Function ◽

Finite Size Effects ◽

Intermediate Scattering Function ◽

Dynamics Simulations

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First sharp diffraction peak and intermediate-range order in amorphous silica: finite-size effects in molecular dynamics simulations

Journal of Non-Crystalline Solids ◽

10.1016/0022-3093(94)90351-4 ◽

1994 ◽

Vol 171 (2) ◽

pp. 157-163 ◽

Cited By ~ 60

Author(s):

Aiichiro Nakano ◽

Rajiv K. Kalia ◽

Priya Vashishta

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Amorphous Silica ◽

Size Effects ◽

Finite Size ◽

Diffraction Peak ◽

Finite Size Effects ◽

Intermediate Range ◽

Intermediate Range Order ◽

Dynamics Simulations

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Finite-size effects on the lattice dynamics in spin crossover nanomaterials. II. Molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.96.035427 ◽

2017 ◽

Vol 96 (3) ◽

Cited By ~ 9

Author(s):

Mirko Mikolasek ◽

William Nicolazzi ◽

Férial Terki ◽

Gábor Molnár ◽

Azzedine Bousseksou

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Size Effects ◽

Lattice Dynamics ◽

Spin Crossover ◽

Finite Size ◽

Finite Size Effects ◽

Dynamics Simulations

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Molecular dynamics simulations of the liquid–vapor interface of a molten salt. III. Size asymmetry effects and binary mixtures

The Journal of Chemical Physics ◽

10.1063/1.1508773 ◽

2002 ◽

Vol 117 (16) ◽

pp. 7659-7668 ◽

Cited By ~ 19

Author(s):

Andrés Aguado ◽

Paul A. Madden

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molten Salt ◽

Binary Mixtures ◽

Vapor Interface ◽

Asymmetry Effects ◽

Dynamics Simulations ◽

Size Asymmetry ◽

Liquid Vapor

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Structural properties of a calcium aluminosilicate glass from molecular-dynamics simulations: A finite size effects study

The Journal of Chemical Physics ◽

10.1063/1.1724815 ◽

2004 ◽

Vol 120 (21) ◽

pp. 10172-10181 ◽

Cited By ~ 65

Author(s):

Patrick Ganster ◽

Magali Benoit ◽

Walter Kob ◽

Jean-Marc Delaye

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Properties ◽

Size Effects ◽

Finite Size ◽

Aluminosilicate Glass ◽

Finite Size Effects ◽

Calcium Aluminosilicate ◽

Dynamics Simulations

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Molecular dynamics simulations of aqueous ions at the liquid-vapor interface accelerated using graphics processors

Journal of Computational Chemistry ◽

10.1002/jcc.21578 ◽

2010 ◽

Vol 32 (3) ◽

pp. 375-385 ◽

Cited By ~ 25

Author(s):

Brad A. Bauer ◽

Joseph E. Davis ◽

Michela Taufer ◽

Sandeep Patel

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Graphics Processors ◽

Vapor Interface ◽

Aqueous Ions ◽

Dynamics Simulations ◽

Liquid Vapor

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