Data for "The Impact of Tilt Grain Boundaries on the Thermal Transport in Perovskite SrTiO3 Layered Nanostructures. A Computational Study"

  • Steve Parker (Creator)
  • Marco Molinari University of Huddersfield (Creator)
  • Stephen Yeandel Loughborough University (Creator)

Dataset

Description

Datasets for computer simulations of tilt grain boundaries in SrTiO3, used for lattice dynamics and molecular dynamics calculations. These calculations were used in the paper, "The Impact of Tilt Grain Boundaries on the Thermal Transport in Perovskite SrTiO3 Layered Nanostructures: A Computational Study," to demonstrate how nanoscale structural features may be identified that can facilitate thermal transport in technologically important nanostructured materials such as SrTiO3.
Date made available19 Jul 2018
PublisherUniversity of Bath

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