Sökning: onr:"swepub:oai:DiVA.org:hb-2307" > Theoretical study o...
Fältnamn | Indikatorer | Metadata |
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000 | 03198naa a2200469 4500 | |
001 | oai:DiVA.org:hb-2307 | |
003 | SwePub | |
008 | 151113s2007 | |||||||||||000 ||eng| | |
009 | oai:gup.ub.gu.se/66416 | |
024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:hb:diva-23072 URI |
024 | 7 | a https://doi.org/10.1103/PhysRevB.75.2054262 DOI |
024 | 7 | a https://gup.ub.gu.se/publication/664162 URI |
040 | a (SwePub)hbd (SwePub)gu | |
041 | a engb eng | |
042 | 9 SwePub | |
072 | 7 | a ref2 swepub-contenttype |
072 | 7 | a art2 swepub-publicationtype |
100 | 1 | a Jiang, A.4 aut |
245 | 1 0 | a Theoretical study of the thermal behaviour of free and alumina-supported Fe-C nanoparticles |
264 | 1 | b American Physical Society,c 2007 |
338 | a print2 rdacarrier | |
520 | a The thermal behavior of free and alumina-supported iron-carbon nanoparticles is investigated via molecular-dynamics simulations, in which the effect of the substrate is treated with a simple Morse potential fitted to ab initio data. We observe that the presence of the substrate raises the melting temperature of medium and large Fe1-xCx nanoparticles (x=0-0.16, N=80-1000, nonmagic numbers) by 40-60 K; it also plays an important role in defining the ground state of smaller Fe nanoparticles (N=50-80). The main focus of our study is the investigation of Fe-C phase diagrams as a function of the nanoparticle size. We find that as the cluster size decreases in the 1.1-1.6-nm-diameter range, the eutectic point shifts significantly not only toward lower temperatures, as expected from the Gibbs-Thomson law, but also toward lower concentrations of C. The strong dependence of the maximum C solubility on the Fe-C cluster size may have important implications for the catalytic growth of carbon nanotubes by chemical-vapor deposition. | |
650 | 7 | a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe |
650 | 7 | a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng |
650 | 7 | a NATURVETENSKAPx Fysik0 (SwePub)1032 hsv//swe |
650 | 7 | a NATURAL SCIENCESx Physical Sciences0 (SwePub)1032 hsv//eng |
653 | a modelering | |
653 | a kolnanorör | |
653 | a Energi och material | |
700 | 1 | a Awasthi, N.4 aut |
700 | 1 | a Kolmogorov, A. N.4 aut |
700 | 1 | a Setyawan, W.4 aut |
700 | 1 | a Börjesson, A.u Högskolan i Borås,Institutionen Ingenjörshögskolan4 aut0 (Swepub:hb)abo |
700 | 1 | a Bolton, Kimu Gothenburg University,Göteborgs universitet,Högskolan i Borås,Institutionen Ingenjörshögskolan,Institutionen för fysik (GU),Department of Physics (GU)4 aut0 (Swepub:gu)xbolki |
700 | 1 | a Harutyunyan, A.4 aut |
700 | 1 | a Curtarolo, S.4 aut |
710 | 2 | a Högskolan i Boråsb Institutionen Ingenjörshögskolan4 org |
773 | 0 | t Physical Review B Condensed Matterd : American Physical Societyg 75:20q 75:20x 0163-1829x 1095-3795 |
773 | 0 | t PHYSICAL REVIEW Bd : American Physical Societyg 75:20q 75:20x 1098-0121 |
856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:hb:diva-2307 |
856 | 4 8 | u https://doi.org/10.1103/PhysRevB.75.205426 |
856 | 4 8 | u https://gup.ub.gu.se/publication/66416 |
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