Modelling defect evolution in irradiated graphite

The diffusion of point defects after irradiation events in graphite is considered using high temperature molecular dynamics and adaptive kinetic Monte Carlo. The system is modelled with a ReaxFF potential model. It is shown that monovacancies can diffuse both within the graphite layers and also betw...

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Bibliographic Details
Main Authors: Ying Zhou, Kenny Jolley, Rhiannon Phillips, Roger Smith, Houzheng Wu
Format: Default Article
Published: 2019
Subjects:
Nanoscience & Nanotechnology
Chemical Sciences
Physical Sciences
Engineering
Graphite
Defects
Long-time scale dynamics
Reactive force field
Online Access:https://hdl.handle.net/2134/9247898.v2
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https://hdl.handle.net/2134/9247898.v2

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