DC pole | Wartość | Język |
dc.contributor.author | Chrobak, Dariusz | - |
dc.contributor.author | Majtyka-Piłat, Anna | - |
dc.contributor.author | Ziółkowski, Grzegorz | - |
dc.contributor.author | Chrobak, Grzegorz | - |
dc.date.accessioned | 2022-07-19T09:46:08Z | - |
dc.date.available | 2022-07-19T09:46:08Z | - |
dc.date.issued | 2022 | - |
dc.identifier.citation | "Materials" (2022), vol. 15, iss. 14, art. no. 4690 | pl_PL |
dc.identifier.issn | 1996-1944 | - |
dc.identifier.uri | http://hdl.handle.net/20.500.12128/23667 | - |
dc.description.abstract | Classical modeling of structural phenomena occurring in InP crystal, for example plastic
deformation caused by contact force, requires an interatomic interaction potential that correctly describes
not only the elastic properties of indium phosphide but also the pressure-induced reversible phase
transition B3$B1. In this article, a new parametrization of the analytical bond-order potential has
been developed for InP. The potential reproduces fundamental physical properties (lattice parameters,
cohesive energy, stiffness coefficients) of the B3 and B1 phases in good agreement with first-principles
calculations. The proposed interaction model describes the reversibility of the pressure-induced B3$B1
phase transition as well as the formation of native point defects in the B3 phase. | pl_PL |
dc.language.iso | en | pl_PL |
dc.rights | Uznanie autorstwa 3.0 Polska | * |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/pl/ | * |
dc.subject | indium phosphide | pl_PL |
dc.subject | molecular dynamics simulations | pl_PL |
dc.subject | interatomic potential | pl_PL |
dc.subject | phase transformation | pl_PL |
dc.subject | native point defects | pl_PL |
dc.title | Interatomic Potential for InP | pl_PL |
dc.type | info:eu-repo/semantics/article | pl_PL |
dc.identifier.doi | 10.3390/ma15144960 | - |
Pojawia się w kolekcji: | Artykuły (WNŚiT)
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