Thin Film Water on NaCl(100)

Molecular dynamics input script, raw data, and video of thin water film at the NaCl surface.

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1 to 10 of 29 Results

mu-123_r-10.mp4 Mar 25, 2022 - Movies of thin film water on rough NaCl surface MPEG-4 Video - 156.2 MB - MD5: b4f481865ee5f822e2512785c798358b The chemical potential mu of water is equal to -12.3 Kcal/mol, and a fraction 1 - r = 0.9 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.
mu-123_r-50.mp4 Mar 25, 2022 - Movies of thin film water on rough NaCl surface MPEG-4 Video - 156.8 MB - MD5: 5c85845f89c49e099414e8905e1d079e The chemical potential mu of water is equal to -12.3 Kcal/mol, and a fraction 1 - r = 0.5 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.
mu-123_r-90.mp4 Mar 25, 2022 - Movies of thin film water on rough NaCl surface MPEG-4 Video - 150.0 MB - MD5: b78d5a94950d541de37961332079ffb0 The chemical potential mu of water is equal to -12.3 Kcal/mol, and a fraction 1 - r = 0.1 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.
mu-127_r-10.mp4 Mar 25, 2022 - Movies of thin film water on rough NaCl surface MPEG-4 Video - 123.3 MB - MD5: 8d1d1d5ddd240357daea109c473874aa The chemical potential mu of water is equal to -12.7 Kcal/mol, and a fraction 1 - r = 0.9 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.
mu-127_r-50.mp4 Mar 25, 2022 - Movies of thin film water on rough NaCl surface MPEG-4 Video - 135.7 MB - MD5: e381e502c2e77d52e66667958b7951d1 The chemical potential mu of water is equal to -12.7 Kcal/mol, and a fraction 1 - r = 0.5 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.
mu-127_r-90.mp4 Mar 25, 2022 - Movies of thin film water on rough NaCl surface MPEG-4 Video - 123.5 MB - MD5: 645a0559aa19bbeae981e2c75ff14a04 The chemical potential mu of water is equal to -12.7 Kcal/mol, and a fraction 1 - r = 0.1 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.
angle.dat Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Fixed Field Text Data - 10 B - MD5: 61052a1b1a3d5657e764bd77645f7fd9 Angle parameter water molecule
bond.dat Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Fixed Field Text Data - 16 B - MD5: b6c47007e182c110962fcecc97b2ee89 Bond parameter water molecule
equilibration.mdp Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Unknown - 555 B - MD5: afe778bb7b6365a671d12721af78b8ed GROMACS input file for the equilibration step.
forcefield.itp Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface application/vnd.shana.informed.formtemplate - 600 B - MD5: fb4437678186a53ae7de2a4d08d50974 Force field parameter file.

mu-123_r-10.mp4

Mar 25, 2022 - Movies of thin film water on rough NaCl surface

MPEG-4 Video - 156.2 MB -

The chemical potential mu of water is equal to -12.3 Kcal/mol, and a fraction 1 - r = 0.9 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.

mu-123_r-50.mp4

Mar 25, 2022 - Movies of thin film water on rough NaCl surface

MPEG-4 Video - 156.8 MB -

The chemical potential mu of water is equal to -12.3 Kcal/mol, and a fraction 1 - r = 0.5 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.

mu-123_r-90.mp4

Mar 25, 2022 - Movies of thin film water on rough NaCl surface

MPEG-4 Video - 150.0 MB -

The chemical potential mu of water is equal to -12.3 Kcal/mol, and a fraction 1 - r = 0.1 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.

mu-127_r-10.mp4

Mar 25, 2022 - Movies of thin film water on rough NaCl surface

MPEG-4 Video - 123.3 MB -

The chemical potential mu of water is equal to -12.7 Kcal/mol, and a fraction 1 - r = 0.9 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.

mu-127_r-50.mp4

Mar 25, 2022 - Movies of thin film water on rough NaCl surface

MPEG-4 Video - 135.7 MB -

The chemical potential mu of water is equal to -12.7 Kcal/mol, and a fraction 1 - r = 0.5 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.

mu-127_r-90.mp4

Mar 25, 2022 - Movies of thin film water on rough NaCl surface

MPEG-4 Video - 123.5 MB -

The chemical potential mu of water is equal to -12.7 Kcal/mol, and a fraction 1 - r = 0.1 of the topmost NaCl atoms have been removed. The time interval between two frames is 20 fs, and the total duration of the movie is 80 ps.

angle.dat

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Fixed Field Text Data - 10 B -

Angle parameter water molecule

bond.dat

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Fixed Field Text Data - 16 B -

Bond parameter water molecule

equilibration.mdp

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Unknown - 555 B -

GROMACS input file for the equilibration step.

forcefield.itp

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

application/vnd.shana.informed.formtemplate - 600 B -

Force field parameter file.

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