Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000755754> ?p ?o ?g. }
- W2000755754 endingPage "134312" @default.
- W2000755754 startingPage "134312" @default.
- W2000755754 abstract "The size effect in the oxidation of aluminum nanoparticles (Al-NPs) has been observed experimentally; however, the mechano-chemistry and the atomistic mechanism of the oxidation dynamics remain elusive. We have performed multimillion atom reactive molecular dynamics simulations to investigate the oxidation dynamics of Al-NPs (diameters, D = 26, 36, and 46 nm) with the same shell thickness (3 nm). Analysis of alumina shell structure reveals that the shell of Al-NPs does not break or shatter, but only deforms during the oxidation process. The deformation depends slightly on the size of Al-NP. This reaction from the oxidation heats the Al-NP to a temperature of T > 5000 K. Ejection of Al atoms from shell starts earlier in small Al-NPs—at t0 = 0.18, 0.28 and 0.42 ns for D = 26, 36 and 46 nm, when they all have the same shell temperature of 2900 K. As the oxidation dynamics proceeds, the total system temperature (including the environmental oxygen) increases monotonically; however, the time derivative of the total temperature, (dTsystem/dt), reaches a maximum at t1 = 0.20, 0.32 and 0.51 ns for D = 26, 36 and 46 nm. At this peak value of (dTsystem/dt), the shell temperature for the three Al-NPs are 3100 K, 3300 K, and 3500 K, respectively. The time lag between t1 and t0 is 0.02, 0.04 and 0.09 ns for D = 26, 36 and 46 nm clearly indicates the size effect." @default.
- W2000755754 created "2016-06-24" @default.
- W2000755754 creator A5052894521 @default.
- W2000755754 creator A5060002817 @default.
- W2000755754 creator A5063758358 @default.
- W2000755754 creator A5087579275 @default.
- W2000755754 date "2013-10-07" @default.
- W2000755754 modified "2023-09-27" @default.
- W2000755754 title "Size effect on the oxidation of aluminum nanoparticle: Multimillion-atom reactive molecular dynamics simulations" @default.
- W2000755754 cites W1966295097 @default.
- W2000755754 cites W1967460650 @default.
- W2000755754 cites W1972295667 @default.
- W2000755754 cites W1977039921 @default.
- W2000755754 cites W1982455632 @default.
- W2000755754 cites W1982878449 @default.
- W2000755754 cites W1988559430 @default.
- W2000755754 cites W2004535222 @default.
- W2000755754 cites W2009660790 @default.
- W2000755754 cites W2015240911 @default.
- W2000755754 cites W2017171620 @default.
- W2000755754 cites W2017704485 @default.
- W2000755754 cites W2017753579 @default.
- W2000755754 cites W2018205372 @default.
- W2000755754 cites W2019033353 @default.
- W2000755754 cites W2021279528 @default.
- W2000755754 cites W2022571335 @default.
- W2000755754 cites W2024392669 @default.
- W2000755754 cites W2025555619 @default.
- W2000755754 cites W2039171101 @default.
- W2000755754 cites W2041283796 @default.
- W2000755754 cites W2050759224 @default.
- W2000755754 cites W2057502116 @default.
- W2000755754 cites W2060402046 @default.
- W2000755754 cites W2062023589 @default.
- W2000755754 cites W2064912352 @default.
- W2000755754 cites W2065702001 @default.
- W2000755754 cites W2066491777 @default.
- W2000755754 cites W2069154817 @default.
- W2000755754 cites W2075430702 @default.
- W2000755754 cites W2075518533 @default.
- W2000755754 cites W2079216764 @default.
- W2000755754 cites W2080359140 @default.
- W2000755754 cites W2084427223 @default.
- W2000755754 cites W2089729216 @default.
- W2000755754 cites W2099022662 @default.
- W2000755754 cites W2118065792 @default.
- W2000755754 cites W2139876878 @default.
- W2000755754 cites W2153162624 @default.
- W2000755754 cites W2157686199 @default.
- W2000755754 cites W2171048046 @default.
- W2000755754 cites W2171251685 @default.
- W2000755754 cites W2313928871 @default.
- W2000755754 doi "https://doi.org/10.1063/1.4823984" @default.
- W2000755754 hasPublicationYear "2013" @default.
- W2000755754 type Work @default.
- W2000755754 sameAs 2000755754 @default.
- W2000755754 citedByCount "38" @default.
- W2000755754 countsByYear W20007557542014 @default.
- W2000755754 countsByYear W20007557542015 @default.
- W2000755754 countsByYear W20007557542016 @default.
- W2000755754 countsByYear W20007557542017 @default.
- W2000755754 countsByYear W20007557542018 @default.
- W2000755754 countsByYear W20007557542019 @default.
- W2000755754 countsByYear W20007557542020 @default.
- W2000755754 countsByYear W20007557542021 @default.
- W2000755754 countsByYear W20007557542023 @default.
- W2000755754 crossrefType "journal-article" @default.
- W2000755754 hasAuthorship W2000755754A5052894521 @default.
- W2000755754 hasAuthorship W2000755754A5060002817 @default.
- W2000755754 hasAuthorship W2000755754A5063758358 @default.
- W2000755754 hasAuthorship W2000755754A5087579275 @default.
- W2000755754 hasBestOaLocation W20007557541 @default.
- W2000755754 hasConcept C113196181 @default.
- W2000755754 hasConcept C147597530 @default.
- W2000755754 hasConcept C147789679 @default.
- W2000755754 hasConcept C149635348 @default.
- W2000755754 hasConcept C155672457 @default.
- W2000755754 hasConcept C159985019 @default.
- W2000755754 hasConcept C171250308 @default.
- W2000755754 hasConcept C178790620 @default.
- W2000755754 hasConcept C185592680 @default.
- W2000755754 hasConcept C192562407 @default.
- W2000755754 hasConcept C2781052500 @default.
- W2000755754 hasConcept C41008148 @default.
- W2000755754 hasConcept C513153333 @default.
- W2000755754 hasConcept C540031477 @default.
- W2000755754 hasConcept C58312451 @default.
- W2000755754 hasConcept C59593255 @default.
- W2000755754 hasConceptScore W2000755754C113196181 @default.
- W2000755754 hasConceptScore W2000755754C147597530 @default.
- W2000755754 hasConceptScore W2000755754C147789679 @default.
- W2000755754 hasConceptScore W2000755754C149635348 @default.
- W2000755754 hasConceptScore W2000755754C155672457 @default.
- W2000755754 hasConceptScore W2000755754C159985019 @default.
- W2000755754 hasConceptScore W2000755754C171250308 @default.
- W2000755754 hasConceptScore W2000755754C178790620 @default.
- W2000755754 hasConceptScore W2000755754C185592680 @default.
- W2000755754 hasConceptScore W2000755754C192562407 @default.