Browsing by Author Fang, C

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Showing results 1 to 16 of 16
Issue DateTitleAuthor(s)
2018An ab initio study on stacking and stability of TiAl 3 phasesFang, C; Fan, Z
31-Oct-2014The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulationsFang, C; Li, W-F; Koster, RS; Klimeš, J; van Blaaderen, A; van Huis, MA
2016Acetate ligands determine the crystal structure of CdSe nanoplatelets - a density functional theory study.Koster, RS; Fang, C; van Blaaderen, A; Dijkstra, M; van Huis, MA
2017The critical assessment of data for Al-Fe based intermetallic phases formed during solidification of aluminium alloysDinsdale, AT; Fang, C; Fan, Z; Khvan, ZV
2018Direct observation of Eu atoms in AlN lattice and the first-principles simulationsFang, C
2017A doping-less junction-formation mechanism between n-silicon and an atomically thin boron layerFang, C; Mohammadi, V; Nihtianov, S
2017Effect of substrate chemistry on prenucleation by ab initio MD simulationFang, C; Men, H; Fan, Z
2018A first-principles study of the formation of atomically rough {111} MgO surface and its effect on prenucleation of MgFang, C; Fan, Z
11-Jan-2019Intrinsic defects in and electronic properties of θ-Al13Fe4: an ab initio DFT studyFang, C
1-Nov-2018Mechanism for Zr poisoning of Al-Ti-B based grain refinersWang, Y; Fang, C; Zhou, L; Hashimoto, T; Zhou, X; Ramasse, QM; Fan, Z
2017New insights into solidification and phase equilibria in the Al-Al3Zr system: theoretical and experimental investigationsEskin, D; Starodub, KF; Dinsdale, AT; Wang, F; Fang, C; Cheverikin, VV; Gorshenkov, MV
9-Sep-2019Prenucleation at the liquid-Al/α-Al2O3 and the liquid-Al/MgO interfacesFang, C; Fan, Z
2020Stability, geometry and electronic properties of BH<sub>n</sub> (n = 0 to 3) radicals on the Si{0 0 1}3×1:H surface from first-principlesFang, C; Mohammodi, V; Nihtianov, S; Sluiter, M
2017Stability, local structure and electronic properties of borane radicals on the Si(1 0 0)Fang, C; Mohammadi, V; Nihtianov, S; Sluiter, MHF
2017Structure and stability of hcp iron carbide precipitates: A first-principles studyFang, C; van Huis, MA
6-Mar-2019Understanding the Thermodynamics and Crystal Structure of Complex Fe Containing Intermetallic Phases Formed on Solidification of Aluminium AlloysDinsdale, A; Fang, C; Que, Z; Fan, Z