Matches in SemOpenAlex for { <https://semopenalex.org/work/W2066052609> ?p ?o ?g. }
- W2066052609 endingPage "9" @default.
- W2066052609 startingPage "1" @default.
- W2066052609 abstract "Abstract In this study, the modified embedded-atom method (MEAM) was applied to compare the predictions of dislocation core properties obtained by molecular statics with the continuum predictions obtained in the framework of the simplified 1D-Peierls–Nabarro model. To this end, a set of four fictive Li potentials in the MEAM framework was proposed with the condition that all four potentials reproduce the same elastic constants, the same transition energies between bcc and fcc crystal structures, and between bcc and hcp crystal structures, while the unstable stacking fault energy on the plane {110} in the direction was varied around the value predicted by first-principles. Within these potentials, direct atomistic calculations were performed to evaluate dislocation core properties such as dislocation half width and Peierls stress and the results were compared with continuum predictions. We found that the trends predicted by the Peierls–Nabarro model, i.e. (i) a decrease of the dislocation half width with increasing unstable stacking fault energy, and (ii) an increase of the Peierls stress with increasing the magnitude of the unstable stacking fault energy, were recovered using atomic calculations in the MEAM framework. Moreover, the magnitude of the dislocation half width and the Peierls stress calculated in the MEAM framework are in good agreement with the Peierls–Nabarro predictions when the dislocation half width is determined using a generic strategy. Specifically, the dislocation half width is defined as the distance for which the disregistery is included between b/4 and 3b/4 . It was, therefore, demonstrated herein that the set of fictive potentials could be parameterized in the MEAM framework to validate or to disprove the continuum theory using atomistic methods." @default.
- W2066052609 created "2016-06-24" @default.
- W2066052609 creator A5003699620 @default.
- W2066052609 creator A5049043001 @default.
- W2066052609 date "2015-07-01" @default.
- W2066052609 modified "2023-09-27" @default.
- W2066052609 title "Dislocation modeling in bcc lithium: A comparison between continuum and atomistic predictions in the modified embedded atoms method" @default.
- W2066052609 cites W1552285602 @default.
- W2066052609 cites W1965506945 @default.
- W2066052609 cites W1970127494 @default.
- W2066052609 cites W1971932099 @default.
- W2066052609 cites W1973089726 @default.
- W2066052609 cites W1978492883 @default.
- W2066052609 cites W1981368803 @default.
- W2066052609 cites W1981390155 @default.
- W2066052609 cites W1981617800 @default.
- W2066052609 cites W1981784668 @default.
- W2066052609 cites W1983201811 @default.
- W2066052609 cites W1987207774 @default.
- W2066052609 cites W1988102749 @default.
- W2066052609 cites W1989702653 @default.
- W2066052609 cites W1995053343 @default.
- W2066052609 cites W1996599361 @default.
- W2066052609 cites W2003120814 @default.
- W2066052609 cites W2005676879 @default.
- W2066052609 cites W2016197031 @default.
- W2066052609 cites W2019465613 @default.
- W2066052609 cites W2027314119 @default.
- W2066052609 cites W2027793591 @default.
- W2066052609 cites W2028605172 @default.
- W2066052609 cites W2032969394 @default.
- W2066052609 cites W2034184281 @default.
- W2066052609 cites W2036034530 @default.
- W2066052609 cites W2036153768 @default.
- W2066052609 cites W2036732354 @default.
- W2066052609 cites W2038198543 @default.
- W2066052609 cites W2040321398 @default.
- W2066052609 cites W2040942211 @default.
- W2066052609 cites W2043948670 @default.
- W2066052609 cites W2048395478 @default.
- W2066052609 cites W2050033780 @default.
- W2066052609 cites W2051950118 @default.
- W2066052609 cites W2052092154 @default.
- W2066052609 cites W2054021656 @default.
- W2066052609 cites W2054640016 @default.
- W2066052609 cites W2058352527 @default.
- W2066052609 cites W2058923434 @default.
- W2066052609 cites W2063614849 @default.
- W2066052609 cites W2073364242 @default.
- W2066052609 cites W2075394439 @default.
- W2066052609 cites W2080829467 @default.
- W2066052609 cites W2092135981 @default.
- W2066052609 cites W2115860273 @default.
- W2066052609 cites W2119251775 @default.
- W2066052609 cites W2123808385 @default.
- W2066052609 cites W2124673568 @default.
- W2066052609 cites W2138558718 @default.
- W2066052609 cites W2142620248 @default.
- W2066052609 cites W2155618777 @default.
- W2066052609 cites W2156225033 @default.
- W2066052609 cites W2461832357 @default.
- W2066052609 cites W3099066867 @default.
- W2066052609 cites W3104005636 @default.
- W2066052609 cites W4232148735 @default.
- W2066052609 doi "https://doi.org/10.1016/j.jpcs.2015.02.007" @default.
- W2066052609 hasPublicationYear "2015" @default.
- W2066052609 type Work @default.
- W2066052609 sameAs 2066052609 @default.
- W2066052609 citedByCount "20" @default.
- W2066052609 countsByYear W20660526092015 @default.
- W2066052609 countsByYear W20660526092016 @default.
- W2066052609 countsByYear W20660526092017 @default.
- W2066052609 countsByYear W20660526092018 @default.
- W2066052609 countsByYear W20660526092019 @default.
- W2066052609 countsByYear W20660526092020 @default.
- W2066052609 countsByYear W20660526092021 @default.
- W2066052609 countsByYear W20660526092022 @default.
- W2066052609 crossrefType "journal-article" @default.
- W2066052609 hasAuthorship W2066052609A5003699620 @default.
- W2066052609 hasAuthorship W2066052609A5049043001 @default.
- W2066052609 hasConcept C118552586 @default.
- W2066052609 hasConcept C121332964 @default.
- W2066052609 hasConcept C121864883 @default.
- W2066052609 hasConcept C147597530 @default.
- W2066052609 hasConcept C15744967 @default.
- W2066052609 hasConcept C159122135 @default.
- W2066052609 hasConcept C159467904 @default.
- W2066052609 hasConcept C185592680 @default.
- W2066052609 hasConcept C192562407 @default.
- W2066052609 hasConcept C26873012 @default.
- W2066052609 hasConcept C2778541603 @default.
- W2066052609 hasConcept C59593255 @default.
- W2066052609 hasConcept C8010536 @default.
- W2066052609 hasConceptScore W2066052609C118552586 @default.
- W2066052609 hasConceptScore W2066052609C121332964 @default.
- W2066052609 hasConceptScore W2066052609C121864883 @default.
- W2066052609 hasConceptScore W2066052609C147597530 @default.
- W2066052609 hasConceptScore W2066052609C15744967 @default.