Dissolution and diffusion properties of carbon in tungsten
- 10 October 2010
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 22 (44), 445504
- https://doi.org/10.1088/0953-8984/22/44/445504
Abstract
We have investigated the structure, solution and diffusion behavior of carbon (C) in tungsten (W) based on first-principles calculations. The single C atom is energetically favorable sitting at the octahedral interstitial site (OIS) with a solution energy of 0.78 eV in W. Double C atoms tend to be paired up at the two neighboring OISs along the (210) direction with a distance of ∼ 3.57 Å and a binding energy of + 0.50 eV. This suggests that a positive attractive interaction between C atoms exists, which might lead to a local higher concentration of C in W and form carbide. Kinetically, the C and vacancy diffusion co-efficients as a function of temperature have been determined, and are 1.32 × 10(-19) m(2) s(-1) and 3.11 × 10(-23) m(2) s(-1) at a typical temperature of 600 K, respectively.Keywords
This publication has 30 references indexed in Scilit:
- Magnetism in bcc and fcc Fe with carbon and manganeseJournal of Physics: Condensed Matter, 2010
- Modelling deuterium release during thermal desorption of D+-irradiated tungstenJournal of Nuclear Materials, 2008
- Blister bursting and deuterium bursting release from tungsten exposed to high fluences of high flux and low energy deuterium plasmaNuclear Fusion, 2007
- Incident energy dependence of blistering at tungsten irradiated by low energy high flux deuterium plasma beamsJournal of Nuclear Materials, 2005
- Ab initiostudy of foreign interstitial atom (C, N) interactions with intrinsic point defects in-FePhysical Review B, 2004
- Carbon dissolution and diffusion in ferrite and austenite from first principlesPhysical Review B, 2003
- Tritium retention in tungsten exposed to intense fluxes of 100 eV tritonsJournal of Nuclear Materials, 1999
- On the growth of segregated C layers on top of Fe films on pyrolytic graphite samples during high-fluence D+ irradiation at elevated temperatureJournal of Applied Physics, 1989
- Effects of ion-implanted C on the microstructure and surface mechanical properties of Fe alloys implanted with TiApplied Physics Letters, 1984
- Vacancy-Carbon Interaction in IronPhysical Review Letters, 1980