Thin Film Water on NaCl(100)

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Publication Year: 2022

1 to 10 of 29 Results

tip4p_eps.itp Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface application/vnd.shana.informed.formtemplate - 934 B - MD5: e8f651d97af11c615999d02095e8eb86 Force field parameter file for the TIP4P/epsilon water model.
theta-3.0.mp4 Mar 25, 2022 - Movies of thin film water on NaCl(100) surface MPEG-4 Video - 111.6 MB - MD5: 8a42fa6d97702fcc27334f22f827d70e Water content of 3 water molecules per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.
theta-1.0.mp4 Mar 25, 2022 - Movies of thin film water on NaCl(100) surface MPEG-4 Video - 37.2 MB - MD5: dce69e7583b5ca45fe90a75115016476 Water content of 1 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.
theta-0.3.mp4 Mar 25, 2022 - Movies of thin film water on NaCl(100) surface MPEG-4 Video - 43.9 MB - MD5: 617315813acc135c07ce28fb061196c0 Water content of 0.3 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.
theta-0.1.mp4 Mar 25, 2022 - Movies of thin film water on NaCl(100) surface MPEG-4 Video - 36.1 MB - MD5: 2368ca545d6795d3e07dcff9968eeb63 Water content of 0.1 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.
prod.mdp Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Unknown - 448 B - MD5: c0bc4b9410f987d33a8911bcff19dc2c GROMACS input file for the production step.
position.dat Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Fixed Field Text Data - 79 B - MD5: bb0bbc04531108aa89a99990968a6409 Position parameters water molecule
PARM.lammps Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Unknown - 308 B - MD5: d4a2865720a78599fc0944924f3dbc63 LAMMPS parameter file.
PARM.lammps Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Unknown - 308 B - MD5: d4a2865720a78599fc0944924f3dbc63 Simulation parameter file.
NaClCrystalStructure.dat Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Fixed Field Text Data - 171 B - MD5: 41b7ea675ed69212ed7ce21e3c23a2fe NaCl initial crystal structure

tip4p_eps.itp

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

application/vnd.shana.informed.formtemplate - 934 B -

Force field parameter file for the TIP4P/epsilon water model.

theta-3.0.mp4

Mar 25, 2022 - Movies of thin film water on NaCl(100) surface

MPEG-4 Video - 111.6 MB -

Water content of 3 water molecules per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.

theta-1.0.mp4

Mar 25, 2022 - Movies of thin film water on NaCl(100) surface

MPEG-4 Video - 37.2 MB -

Water content of 1 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.

theta-0.3.mp4

Mar 25, 2022 - Movies of thin film water on NaCl(100) surface

MPEG-4 Video - 43.9 MB -

Water content of 0.3 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.

theta-0.1.mp4

Mar 25, 2022 - Movies of thin film water on NaCl(100) surface

MPEG-4 Video - 36.1 MB -

Water content of 0.1 water molecule per surface NaCl atom. The time interval between two images is 20 fs, and the total duration of the movie is 40 ps.

prod.mdp

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

Unknown - 448 B -

GROMACS input file for the production step.

position.dat

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

Fixed Field Text Data - 79 B -

Position parameters water molecule

PARM.lammps

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

Unknown - 308 B -

LAMMPS parameter file.

PARM.lammps

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

Unknown - 308 B -

Simulation parameter file.

NaClCrystalStructure.dat

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

Fixed Field Text Data - 171 B -

NaCl initial crystal structure

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