Data and analysis code for "From salt-in-water to water-in-salt: the emergence of glass-like dynamics and the transference number controversy"

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Authors: Ladib, Hamza, Altamash, Tausif, Jacquemin, Johan
Cited by: 0

Abstract

This Version 2 expands the original record with processed numerical datasets, selected simulation inputs and Python analysis and figure-generation code supporting the associated article. The materials are organized by article figure and include water oxygen-oxygen radial-distribution data, four-point susceptibility and structure-factor outputs, pair-excess-entropy and dimensionless reduced-diffusivity data, and density and viscosity force-field validation tables. The accompanying README files document filenames, columns, units and reproduction steps, and SHA-256 checksums are provided. The experimental comparison values used in Figure 5 were taken from Gilbert et al. (2017; https://doi.org/10.1021/acs.jced.7b00135) and are clearly separated from the molecular-dynamics simulation results. Associated article: https://doi.org/10.1098/rsta.2025.0283

Fields of Study & Subjects

Advanced Battery Materials and Technologies Spectroscopy and Quantum Chemical Studies Electrostatics and Colloid Interactions

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
12 August 2026
Language
EN
Document type
Dataset