← Search

Data · dataset · 2021

Simulation input scripts for "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces"

Listed in DaRUS

This dataset includes the basic simulation scripts needed in order to reproduce the data shown in "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces".

Description

The folder structure corresponds to the individual parts of the paper, more detail is given in the individual README.md files: 2dlayer: Simulation input for the 2D ionic crystal employed for the simulations of Figs. 2 and 3.

Capacitance: Simulation input for capacitor setups (Fig. 4). DCM: Simulation input for the dual coexistence method (DCM) measurements for Fig. 5. surften: Basic simulation scripts for the surface tension measurements invoked in Figs. 5 & 6 and Supplementary Fig. 1. All simulation scripts use the `real` units setting of LAMMPS, see docs.lammps.org/units.html for details.

Links

Where it is published

Catalogue records · 1

Topics

Stated by source
Physics
From keywords
Life Sciences · Physics
Inferred from text
Condensed matter physics 75% · Simulation 75%
Provenance · 1 source records, 11 field assertions
SourceKeyLast seenRaw
DaRUSdoi:10.18419/DARUS-211512 d agoJSON v1
FieldAssertionExtractorEvidence
concepts[field].anzsrc:group:5104enrichment · darus uni stuttgart detaxonomy-embedding@1.1.0title+keywords+description (75%)
concepts[field].dataverse_subject:physicssource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/subjects
concepts[field].local:field:life-sciencesmapping · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/subjects
concepts[field].local:field:physicsmapping · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/subjects
concepts[method].local:method:simulationenrichment · darus uni stuttgart dekeyword-concept-rules@1.0.0title+description (75%)
created_datesource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0
descriptionsource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/description
publication_datesource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0
titlesource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0/name
updated_datesource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0
version_labelsource · darus uni stuttgart deconnector:darus_uni_stuttgart_de@1.0.0