ISSN:
1013-9826
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
Large numbers of experimental results show that carbides Me3C (Me means Fe, Ni, Co,Mn) are the primary carbon source to form diamond structure under the high temperature and highpressure (HPHT). In this paper, based on the empirical electron theory of solids and molecules (EET),the valence electron structure (VES) and interface structure factors of diamond and various carbidesare calculated, and the boundary condition of electron movement in the improved Thomas-Fermi-Dirac theory by Cheng (TFDC) is applied to the carbide/diamond interfaces. It is found that theelectron density of crystal plane in Me3C formed by C-C bonds is continuous with that in diamond atthe first order of approximation. Compared with Ni-based carbides [Ni3C, (NiMn)3C)], the electrondensity difference of Fe-based carbides [Fe3C, (FeNi)3C, (FeMn)3C]/diamond interfaces is lower, andthat of (FeNi)3C/diamond interface is minimum. The results show that the energy needed to transformcarbon atomic groups into diamond structure is lower for Fe-based carbides than Ni-based carbides
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/01/55/transtech_doi~10.4028%252Fwww.scientific.net%252FKEM.353-358.2998.pdf
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