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Dislocation structure and mobility in hcp rare-gas solids: quantum versus classical

Author
Sempere, S.; Serra, A.; Boronat, J.; Cazorla, C.
Type of activity
Journal article
Journal
Crystals
Date of publication
2018-02-01
Volume
8
Number
2
First page
1
Last page
19
DOI
https://doi.org/10.3390/cryst8020064 Open in new window
Repository
http://hdl.handle.net/2117/116361 Open in new window
https://www.researchgate.net/publication/322786180_Dislocation_Structure_and_Mobility_in_Hcp_Rare-Gas_Solids_Quantum_versus_Classical Open in new window
URL
http://www.mdpi.com/2073-4352/8/2/64 Open in new window
Abstract
We study the structural and mobility properties of edge dislocations in rare-gas crystals with the hexagonal close-packed (hcp) structure by using classical simulation techniques. Our results are discussed in the light of recent experimental and theoretical studies on hcp 4He, an archetypal quantum crystal. According to our simulations classical hcp rare-gas crystals present a strong tendency towards dislocation dissociation into Shockley partials in the basal plane, similarly to what is observe...
Citation
Sempere, S., Serra, A., Boronat, J., Cazorla, C. Dislocation structure and mobility in hcp rare-gas solids: quantum versus classical. "Crystals", 1 Febrer 2018, vol. 8, núm. 2, p. 1-19.
Keywords
dislocations, molecular dynamics, quantum nuclear effects, rare-gas solids
Group of research
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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