Influence of temperature and point defects on the X-ray diffraction pattern of graphite

The atomic structure of pure and defective graphite has been modelled using classical many body potentials from which simulated powder X-ray Diffraction (XRD) patterns were produced using the Debyer software. The changes in the XRD patterns due to both heating and the inclusion of defects were inves...

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Bibliographic Details
Main Authors: Rhiannon Phillips, Kenny Jolley, Ying Zhou, Roger Smith
Format: Default Article
Published: 2021
Subjects:
ReaxFF
Vacancies
Interstitials
Lattice Parameter
X-ray diffraction
Neutron irradiation damage
Graphite
Online Access:https://hdl.handle.net/2134/16929673.v1
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