WebJul 1, 2014 · Request PDF On Jul 1, 2014, Yanan Lv and others published Characterization of structure and energy of TixCy cluster at early formation stage in iron matrix by molecular dynamics Find, read and ... WebApr 1, 2024 · We include for the first time TixCy clusters, with x = 1-4 and y = 1-4, and selected larger clusters ranging up to Ti13C22, for which thermochemical data is obtained from quantum chemical calculations. We find that in general chemical equilibrium reproduces well the observed abundances of parent molecules in circumstellar envelopes …
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WebTi3SiC2 and TixCy were found in all joints. Also, the decomposition of Ti3SiC2 occurred in the 1450 °C joint. The highest shear strength of 80.5 ± 7.4 MPa was obtained in the 1350 °C joint. The fracture occurred within the joining interlayer and SiC ceramics during shear test, except for the 1150 °C joint, which existed obvious cavities in ... WebWe report thermochemical properties of small titanium carbide clusters of mixed stoichiometric ratio Ti x C y (x, y = 1–4). The molecular data used to set up the thermodynamic functions, which are consistent with the JANAF thermochemical data compilation, are computed by density functional techniques. Equilibrium structure … WebJan 1, 2024 · Theoretical model of the O/TiC(111) system under study is based on three-dimensional periodic slab scheme. We used a titanium-terminated supercell of 54 atoms containing (3 × 3) unit cells arranged within a TiC(111) slab. Fig. 1 (a) demonstrates the supercell of TiC(111) slab, and Fig. 1 (b) indicates potential positions of the oxygen atom. … thiopurine metabolite levels