Searched for:
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Fan, Z. (author), Koster, R.S. (author), Wang, S. (author), Fang, C. (author), Yalcin, A.O. (author), Tichelaar, F.D. (author), Zandbergen, H.W. (author), Van Huis, M.A. (author), Vlugt, T.J.H. (author)
journal article 2014
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Fang, C.M. (author), Van Huis, M.A. (author), Xu, Q. (author), Cava, R.J. (author), Zandbergen, H.W. (author)
Nb12O29 is a 4d transition metal oxide that occurs in two forms with different symmetries, monoclinic (m) and orthorhombic (o). The monoclinic form has unusual magnetic properties; below a temperature of 12 K, it exhibits both metallic conductivity and antiferromagnetic ordering. Here, first-principles density-functional theory calculations are...
journal article 2014
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Tirumalasetty, G.K. (author), Fang, C.M. (author), Jansen, J. (author), Yokosawa, T. (author), Boeije, M.J.F. (author), Sietsma, J. (author), Van Huis, M.A. (author), Zandbergen, H.W. (author)
Chromium (Cr), Manganese (Mn), and Carbon (C) are well known alloying elements used in technologically important alloy steels and advanced high strength steels. It is known that binary CrCx and MnCx carbides can be formed in steels, but in this study we reveal for the first time that Cr and Mn were found combined in novel ternary cementite type ...
journal article 2014
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Yalcin, A.O. (author), Fan, Z. (author), Goris, B. (author), Li, W.F. (author), Koster, R.S. (author), Fang, C.M. (author), Van Blaaderen, A. (author), Casavola, M. (author), Tichelaar, F.D. (author), Bals, S. (author), Van Tendeloo, G. (author), Vlugt, T.J.H. (author), Vanmaekelbergh, D. (author), Zandbergen, H.W. (author), Van Huis, M.A. (author)
Here, we show a novel solid?solid?vapor (SSV) growth mechanism whereby epitaxial growth of heterogeneous semiconductor nanowires takes place by evaporation-induced cation exchange. During heating of PbSe-CdSe nanodumbbells inside a transmission electron microscope (TEM), we observed that PbSe nanocrystals grew epitaxially at the expense of CdSe...
journal article 2014
document
Fang, C.M. (author), Sluiter, M.H.F. (author), Van Huis, M.A. (author), Zandbergen, H.W. (author)
First-principles calculations have been performed for a variety of Ni3X (X = C, N) phases, as well as for NiXy (y = 0 to 1/3) solid solutions to clarify the persistent controversy regarding its magnetic state. The calculations show that the solid solution phases based on hexagonal-close-packed (hcp or ?-) Ni have relatively high stability for X...
journal article 2012
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Tirumalasetty, G.K. (author), Fang, C.M. (author), Xu, Q. (author), Jansen, J. (author), Sietsma, J. (author), Van Huis, M.A. (author), Zandbergen, H.W. (author)
A transmission electron microscopy study was conducted on nanoprecipitates formed in Ti microalloyed transformation-inducedplasticity-assisted steels, revealing the presence of Ti(N), Ti2CS and a novel type of ultra-fine Fe(C) precipitate. The matrix/precipitate orientation relationships, sizes and shapes were investigated in detail. The...
journal article 2012
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Fang, C.M. (author), Van Huis, M.A. (author), Thijsse, B.J. (author), Zandbergen, H.W. (author)
Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and...
journal article 2012
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Tirumalasetty, G.K. (author), Van Huis, M.A. (author), Fang, C.M. (author), Xu, Q. (author), Tichelaar, F.D. (author), Hanlon, D.N. (author), Sietsma, J. (author), Zandbergen, H.W. (author)
Multiphase steels utilising composite strengthening may be further strengthened via grain refinement or precipitation by the addition of microalloying elements. In this study a Nb microalloyed steel comprising martensite, bainite and retained austenite has been studied. By means of transmission electron microscopy (TEM), we have investigated the...
journal article 2011
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Fang, C.M. (author), Van Huis, M.A. (author), Jansen, J. (author), Zandbergen, H.W. (author)
Although Fe2C and Fe2N are technologically important materials, the exact nature of the chemical bonding of C and N atoms and the related impact on the electronic properties are at present unclear. Here, results of first-principles electronic structure calculations for Fe2X (X = C, N) phases are presented. The electronic structure calculations...
journal article 2011
document
Fang, C.M. (author), Sluiter, M.H.F. (author), Van Huis, M.A. (author), Ande, C.K. (author), Zandbergen, H.W. (author)
A long-standing challenge in physics is to understand why cementite is the predominant carbide in steel. Here we show that the prevalent formation of cementite can be explained only by considering its stability at elevated temperature. A systematic highly accurate quantum mechanical study was conducted on the stability of binary iron carbides....
journal article 2010
document
Fang, C.M. (author), Van Huis, M.A. (author), Zandbergen, H.W. (author)
The iron carbide Fe7C3 exhibits two types of basic crystal structures, an orthorhombic (o-) form and a hexagonal (h-) one. First-principles calculations have been performed for the basic Fe7C3 forms and for the related ?-Fe3C cementite phase. Accurate total-energy calculations show that the stability of Fe7C3 is comparable to that of ?-Fe3C. The...
journal article 2009
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