Matches in SemOpenAlex for { <https://semopenalex.org/work/W2794297558> ?p ?o ?g. }
- W2794297558 endingPage "181" @default.
- W2794297558 startingPage "171" @default.
- W2794297558 abstract "The thermite reaction at Al/CuO nano-interfaces is investigated with ab initio molecular dynamics calculations in canonical ensemble at 500 K, 800 K, 1200 K and 1500 K, respectively. The reaction process and reaction products are analyzed in terms of chemical bonds, average charge, time constants and total potential energy. The activity of the reactants enhances with increasing temperature, which induces a faster thermite reaction. The alloy reaction obviously expands outward at Cu-rich interface of Al/CuO system, and the reaction between Al and O atoms obviously expands outward at O-rich interface as temperature increases. Different reaction products are found at the outermost layer of different interfaces in the Al/CuO system. In generally, the average charge of the outer layer aluminum atoms (i.e., Al1, Al2, Al5 and Al6) increases with temperature. The potential energy of Al/CuO system decreases significantly, which indicates that drastic exothermic reaction occurs at the Al/CuO system. This research enhances fundamental understanding in temperature effect on the thermite reaction at atomic level, which can potentially open new possibilities for its industrial application." @default.
- W2794297558 created "2018-03-29" @default.
- W2794297558 creator A5001989498 @default.
- W2794297558 creator A5015965733 @default.
- W2794297558 creator A5020327648 @default.
- W2794297558 creator A5031001997 @default.
- W2794297558 creator A5033010845 @default.
- W2794297558 date "2018-05-01" @default.
- W2794297558 modified "2023-10-15" @default.
- W2794297558 title "Ab initio molecular dynamics study of thermite reaction at Al and CuO nano-interfaces at different temperatures" @default.
- W2794297558 cites W1981368803 @default.
- W2794297558 cites W1984775697 @default.
- W2794297558 cites W1989925383 @default.
- W2794297558 cites W1991794210 @default.
- W2794297558 cites W1995801955 @default.
- W2794297558 cites W2006115403 @default.
- W2794297558 cites W2017436305 @default.
- W2794297558 cites W2041638382 @default.
- W2794297558 cites W2058602005 @default.
- W2794297558 cites W2059806891 @default.
- W2794297558 cites W2078275789 @default.
- W2794297558 cites W2081332610 @default.
- W2794297558 cites W2087585288 @default.
- W2794297558 cites W2088533919 @default.
- W2794297558 cites W2134847795 @default.
- W2794297558 cites W2141070669 @default.
- W2794297558 cites W2163021585 @default.
- W2794297558 cites W2172300403 @default.
- W2794297558 cites W2177769710 @default.
- W2794297558 cites W2263651513 @default.
- W2794297558 cites W2317409124 @default.
- W2794297558 cites W2320539383 @default.
- W2794297558 cites W2413188086 @default.
- W2794297558 cites W2434550027 @default.
- W2794297558 cites W2478974647 @default.
- W2794297558 cites W2497844763 @default.
- W2794297558 cites W2520867884 @default.
- W2794297558 cites W2547488040 @default.
- W2794297558 cites W2571126083 @default.
- W2794297558 cites W2575977083 @default.
- W2794297558 cites W2583389866 @default.
- W2794297558 cites W2596554576 @default.
- W2794297558 cites W2606168837 @default.
- W2794297558 cites W2620568725 @default.
- W2794297558 cites W2622136122 @default.
- W2794297558 cites W2735143568 @default.
- W2794297558 cites W283692100 @default.
- W2794297558 cites W3114874680 @default.
- W2794297558 doi "https://doi.org/10.1016/j.cplett.2018.03.047" @default.
- W2794297558 hasPublicationYear "2018" @default.
- W2794297558 type Work @default.
- W2794297558 sameAs 2794297558 @default.
- W2794297558 citedByCount "9" @default.
- W2794297558 countsByYear W27942975582018 @default.
- W2794297558 countsByYear W27942975582020 @default.
- W2794297558 countsByYear W27942975582021 @default.
- W2794297558 countsByYear W27942975582022 @default.
- W2794297558 countsByYear W27942975582023 @default.
- W2794297558 crossrefType "journal-article" @default.
- W2794297558 hasAuthorship W2794297558A5001989498 @default.
- W2794297558 hasAuthorship W2794297558A5015965733 @default.
- W2794297558 hasAuthorship W2794297558A5020327648 @default.
- W2794297558 hasAuthorship W2794297558A5031001997 @default.
- W2794297558 hasAuthorship W2794297558A5033010845 @default.
- W2794297558 hasBestOaLocation W27942975581 @default.
- W2794297558 hasConcept C105923489 @default.
- W2794297558 hasConcept C121332964 @default.
- W2794297558 hasConcept C147597530 @default.
- W2794297558 hasConcept C147789679 @default.
- W2794297558 hasConcept C159467904 @default.
- W2794297558 hasConcept C159985019 @default.
- W2794297558 hasConcept C161790260 @default.
- W2794297558 hasConcept C175113610 @default.
- W2794297558 hasConcept C178790620 @default.
- W2794297558 hasConcept C183971685 @default.
- W2794297558 hasConcept C185592680 @default.
- W2794297558 hasConcept C192562407 @default.
- W2794297558 hasConcept C2776983814 @default.
- W2794297558 hasConcept C2780357685 @default.
- W2794297558 hasConcept C2781442258 @default.
- W2794297558 hasConcept C32909587 @default.
- W2794297558 hasConcept C45119746 @default.
- W2794297558 hasConcept C59593255 @default.
- W2794297558 hasConcept C95121573 @default.
- W2794297558 hasConcept C97355855 @default.
- W2794297558 hasConceptScore W2794297558C105923489 @default.
- W2794297558 hasConceptScore W2794297558C121332964 @default.
- W2794297558 hasConceptScore W2794297558C147597530 @default.
- W2794297558 hasConceptScore W2794297558C147789679 @default.
- W2794297558 hasConceptScore W2794297558C159467904 @default.
- W2794297558 hasConceptScore W2794297558C159985019 @default.
- W2794297558 hasConceptScore W2794297558C161790260 @default.
- W2794297558 hasConceptScore W2794297558C175113610 @default.
- W2794297558 hasConceptScore W2794297558C178790620 @default.
- W2794297558 hasConceptScore W2794297558C183971685 @default.
- W2794297558 hasConceptScore W2794297558C185592680 @default.
- W2794297558 hasConceptScore W2794297558C192562407 @default.
- W2794297558 hasConceptScore W2794297558C2776983814 @default.