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LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
00003198naa a2200469 4500
001oai:DiVA.org:hb-2307
003SwePub
008151113s2007 | |||||||||||000 ||eng|
009oai:gup.ub.gu.se/66416
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:hb:diva-23072 URI
0247 a https://doi.org/10.1103/PhysRevB.75.2054262 DOI
0247 a https://gup.ub.gu.se/publication/664162 URI
040 a (SwePub)hbd (SwePub)gu
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
1001 a Jiang, A.4 aut
2451 0a Theoretical study of the thermal behaviour of free and alumina-supported Fe-C nanoparticles
264 1b 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 7a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe
650 7a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng
650 7a NATURVETENSKAPx Fysik0 (SwePub)1032 hsv//swe
650 7a NATURAL SCIENCESx Physical Sciences0 (SwePub)1032 hsv//eng
653 a modelering
653 a kolnanorör
653 a Energi och material
7001 a Awasthi, N.4 aut
7001 a Kolmogorov, A. N.4 aut
7001 a Setyawan, W.4 aut
7001 a Börjesson, A.u Högskolan i Borås,Institutionen Ingenjörshögskolan4 aut0 (Swepub:hb)abo
7001 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
7001 a Harutyunyan, A.4 aut
7001 a Curtarolo, S.4 aut
7102 a Högskolan i Boråsb Institutionen Ingenjörshögskolan4 org
7730 t Physical Review B Condensed Matterd : American Physical Societyg 75:20q 75:20x 0163-1829x 1095-3795
7730 t PHYSICAL REVIEW Bd : American Physical Societyg 75:20q 75:20x 1098-0121
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:hb:diva-2307
8564 8u https://doi.org/10.1103/PhysRevB.75.205426
8564 8u https://gup.ub.gu.se/publication/66416

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