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Research Data supporting "Pathways for diffusion in the potential energy landscape of the network glass former SiO2", J. Chem. Phys. 147 (2017)

Name: Research Data supporting "Pathways for diffusion in the potential energy landscape of the network glass former SiO2", J. Chem. Phys. 147 (2017)
Keywords: Diffusion, Glass Transition, Silica, Strong and Fragile Liquids, Energy Landscape

Research datakeyboard_double_arrow_right Dataset 15 Nov 2017Embargo end date: 15 Nov 2017 United Kingdom Publisher:Apollo - University of Cambridge Repository

Authors: Niblett, Samuel; Biedermann, M; Wales, David; de Souza, Vanessa;

doi: 10.17863/cam.13646

Research Data supporting "Pathways for diffusion in the potential energy landscape of the network glass former SiO2", J. Chem. Phys. 147 (2017)

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Abstract

Archive files containing the input files and (where relevant) source code to reproduce data on the dynamics and energy landscape of supercooled silica. The main components of the repository are as follows: source code and input files for producing MD trajectories for binary Lennard-Jones and BKS silica systems as used in the code, python scripts for analysing these trajectories, source code for identifying cage-breaking transitions in quenched trajectories, input files for the Cambridge Energy Landscape Software used to generate the landscape databases, and scripts for analysing those databases.

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United Kingdom

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University of Cambridge
United Kingdom

Keywords

Diffusion, Glass Transition, Silica, Strong and Fragile Liquids, Energy Landscape

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