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Thermodynamics of carbon in iron nanoparticles at low temperature: reduced solubility and size-induced nucleation of cementite
Vise andre og tillknytning
2010 (engelsk)Inngår i: Physics Procedia, E-ISSN 1875-3892, Vol. 6, s. 16-26Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

In this manuscript we present the thermodynamics of iron-carbon nano particles at low temperature. By combining classical molecular dynamics simulations, ab initio calculations, finite temperature thermodynamics modeling, and the “size/pressure approximation”, we address carbon-induced fluidization, size-induced eutectic point shift, and reduced solubility at the nanoscale. The results are used to describe, as functions of particle size, three scenarios in the catalytic chemical vapor deposition growth of single single-walled carbon nanotubes, corresponding to steady state-, limitedand no-growth.

sted, utgiver, år, opplag, sider
Elsevier BV , 2010. Vol. 6, s. 16-26
Emneord [sv]
datormodellering, Energi och material
HSV kategori
Identifikatorer
URN: urn:nbn:se:hb:diva-2970DOI: 10.1016/j.phpro.2010.09.023Lokal ID: 2320/7326OAI: oai:DiVA.org:hb-2970DiVA, id: diva2:871064
Tilgjengelig fra: 2015-11-13 Laget: 2015-11-13 Sist oppdatert: 2025-09-24bibliografisk kontrollert

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