Matches in SemOpenAlex for { <https://semopenalex.org/work/W4243399498> ?p ?o ?g. }
- W4243399498 endingPage "1019" @default.
- W4243399498 startingPage "995" @default.
- W4243399498 abstract "Abstract Radiation-induced microstructural and compositional changes in solids are governed by the interaction between the fraction of defects that escape their nascent cascade and the material. We use a combination of molecular dynamics (MD) and kinetic Monte Carlo (KMC) simulations to calculate the damage production efficiency and the fraction of freely migrating defects in α-Fe at 600 K. MD simulations provide information on the nature of the primary damage state as a function of recoil energy, and on the kinetics and energetics of point defects and small defect clusters. The KMC simulations use as input the MD results and provide a description of defect diffusion and interaction over long time and length scales. For the MD simulations, we employ the analytical embedded-atom potential developed by Johnson and Oh for α-Fe, including a modification of the short-range repulsive interaction. We use MD to calculate the diffusivities of point defects and small defect clusters and the binding energy of small vacancy and interstitial clusters. We show that, at temperatures below about 600 K, small interstitial clusters form prismatic dislocation loops which migrate in one dimension with a very low activation energy E a ≈ 0.1eV. We also present results of MD simulations of displacement cascades at energies up to 20keV. The results show that, for recoil energies above 5keV, interstitials are produced in the form of small prismatic loops with a high probability, but vacancies are not. The MD results are then combined with a KMC simulation of defect interaction and diffusion, which includes the one-dimensional glide of small interstitial loops. The results provide a clear picture of the damage annealing process and show that for 20keV cascades the escape probability for both vacancies and interstitials is about 65%. This results in a freely migrating defect production efficiency of 20% of the total defect production predicted by the modified Kinchin-Pease model (the displacements per atom standard). The capability of the hybrid MD-KMC method for carrying out long length and time scale simulations of damage evolution in irradiated materials is emphasized." @default.
- W4243399498 created "2022-05-12" @default.
- W4243399498 creator A5090312581 @default.
- W4243399498 date "1998-11-01" @default.
- W4243399498 modified "2023-10-18" @default.
- W4243399498 title "Defect production, annealing kinetics and damage evolution in alpha-Fe: an atomic-scale computer simulation" @default.
- W4243399498 doi "https://doi.org/10.1080/014186198253066" @default.
- W4243399498 hasPublicationYear "1998" @default.
- W4243399498 type Work @default.
- W4243399498 citedByCount "1" @default.
- W4243399498 crossrefType "journal-article" @default.
- W4243399498 hasAuthorship W4243399498A5090312581 @default.
- W4243399498 hasConcept C105795698 @default.
- W4243399498 hasConcept C111337013 @default.
- W4243399498 hasConcept C114221277 @default.
- W4243399498 hasConcept C117915434 @default.
- W4243399498 hasConcept C121332964 @default.
- W4243399498 hasConcept C135889238 @default.
- W4243399498 hasConcept C147597530 @default.
- W4243399498 hasConcept C148898269 @default.
- W4243399498 hasConcept C149635348 @default.
- W4243399498 hasConcept C153428861 @default.
- W4243399498 hasConcept C159122135 @default.
- W4243399498 hasConcept C159467904 @default.
- W4243399498 hasConcept C164675345 @default.
- W4243399498 hasConcept C171250308 @default.
- W4243399498 hasConcept C184779094 @default.
- W4243399498 hasConcept C185544564 @default.
- W4243399498 hasConcept C185592680 @default.
- W4243399498 hasConcept C19067145 @default.
- W4243399498 hasConcept C192562407 @default.
- W4243399498 hasConcept C19499675 @default.
- W4243399498 hasConcept C22423302 @default.
- W4243399498 hasConcept C2776372370 @default.
- W4243399498 hasConcept C2776668124 @default.
- W4243399498 hasConcept C2777855556 @default.
- W4243399498 hasConcept C33923547 @default.
- W4243399498 hasConcept C41008148 @default.
- W4243399498 hasConcept C41999313 @default.
- W4243399498 hasConcept C45786274 @default.
- W4243399498 hasConcept C57160762 @default.
- W4243399498 hasConcept C58312451 @default.
- W4243399498 hasConcept C59593255 @default.
- W4243399498 hasConcept C62520636 @default.
- W4243399498 hasConcept C69357855 @default.
- W4243399498 hasConcept C8010536 @default.
- W4243399498 hasConcept C97355855 @default.
- W4243399498 hasConceptScore W4243399498C105795698 @default.
- W4243399498 hasConceptScore W4243399498C111337013 @default.
- W4243399498 hasConceptScore W4243399498C114221277 @default.
- W4243399498 hasConceptScore W4243399498C117915434 @default.
- W4243399498 hasConceptScore W4243399498C121332964 @default.
- W4243399498 hasConceptScore W4243399498C135889238 @default.
- W4243399498 hasConceptScore W4243399498C147597530 @default.
- W4243399498 hasConceptScore W4243399498C148898269 @default.
- W4243399498 hasConceptScore W4243399498C149635348 @default.
- W4243399498 hasConceptScore W4243399498C153428861 @default.
- W4243399498 hasConceptScore W4243399498C159122135 @default.
- W4243399498 hasConceptScore W4243399498C159467904 @default.
- W4243399498 hasConceptScore W4243399498C164675345 @default.
- W4243399498 hasConceptScore W4243399498C171250308 @default.
- W4243399498 hasConceptScore W4243399498C184779094 @default.
- W4243399498 hasConceptScore W4243399498C185544564 @default.
- W4243399498 hasConceptScore W4243399498C185592680 @default.
- W4243399498 hasConceptScore W4243399498C19067145 @default.
- W4243399498 hasConceptScore W4243399498C192562407 @default.
- W4243399498 hasConceptScore W4243399498C19499675 @default.
- W4243399498 hasConceptScore W4243399498C22423302 @default.
- W4243399498 hasConceptScore W4243399498C2776372370 @default.
- W4243399498 hasConceptScore W4243399498C2776668124 @default.
- W4243399498 hasConceptScore W4243399498C2777855556 @default.
- W4243399498 hasConceptScore W4243399498C33923547 @default.
- W4243399498 hasConceptScore W4243399498C41008148 @default.
- W4243399498 hasConceptScore W4243399498C41999313 @default.
- W4243399498 hasConceptScore W4243399498C45786274 @default.
- W4243399498 hasConceptScore W4243399498C57160762 @default.
- W4243399498 hasConceptScore W4243399498C58312451 @default.
- W4243399498 hasConceptScore W4243399498C59593255 @default.
- W4243399498 hasConceptScore W4243399498C62520636 @default.
- W4243399498 hasConceptScore W4243399498C69357855 @default.
- W4243399498 hasConceptScore W4243399498C8010536 @default.
- W4243399498 hasConceptScore W4243399498C97355855 @default.
- W4243399498 hasIssue "5" @default.
- W4243399498 hasLocation W42433994981 @default.
- W4243399498 hasOpenAccess W4243399498 @default.
- W4243399498 hasPrimaryLocation W42433994981 @default.
- W4243399498 hasRelatedWork W1522751142 @default.
- W4243399498 hasRelatedWork W1541563148 @default.
- W4243399498 hasRelatedWork W2004702554 @default.
- W4243399498 hasRelatedWork W2010394175 @default.
- W4243399498 hasRelatedWork W2063971408 @default.
- W4243399498 hasRelatedWork W2076776129 @default.
- W4243399498 hasRelatedWork W2094619536 @default.
- W4243399498 hasRelatedWork W3027518030 @default.
- W4243399498 hasRelatedWork W3138253690 @default.
- W4243399498 hasRelatedWork W3212809088 @default.
- W4243399498 hasVolume "78" @default.
- W4243399498 isParatext "false" @default.