Advanced Materials Research Vols. 1004-1005

Abstract: We performed the first-principle calculation to study the structures of cinnabar phase and the Cinnabar-to-rocksalt Phase transitions of HgTe and CdTe under high pressure. The calculated results show that for HgTe, the zincblende-to-cinnabar phase transition is under 2.2GPa, and the cinnabar-to-rocksalt phase transition is under 5.5 GPa; For CdTe, the two phase transitions occur under 4.0 GPa and 4.9 GPa, respectively, which well agree with the experimental results. The cinnabar-to-rocksalt phase transitions of most compounds, including HgTe and CdTe, except HgS are of first-order, and it is due to that their cinnabar phases are not chain structure as HgS and there are no relaxation process before the phase transition.

Abstract: In this paper, xingshan iron mine as an engineering example. Based on slip field theory, numerical simulation method and limit equilibrium method for the mine slope stability research and evaluation. Meanwhile, a variety of load shedding scheme was designed and optimized design. The results showed that the final dump slope angle is 19.2, considering the most unfavorable conditions in saturated with earthquake. And ultimate load shedding scheme can guarantee the slope stability, and saves the load shedding costs is about 20 million yuan. The economic effect is remarkable.

Abstract: Based on the theory of fracture mechanics and finite element method, this paper presents a numerical calculation of typical experimental models, with emphasis on calculation of the stress intensity factor of I-type crack. A two-dimensional finite element analysis of a plate sample including an initial crack was carried out to study the propagation of a fatigue crack under multiaxial loadings. The effects of crack length and the multiaxial condition on the stress intensity factor were especially investigated. Our present approach provides an effective method for edge crack fracture criterion under complex loading calculation.

Abstract: The reactions of the methanol synthesis were conducted from the CO/CO₂/H₂ on the Cu-based catalysts using different solvent at 443 K and 3.0 MPa. The alcohol solvent had the activity in the low-temperature methanol synthesis reaction. The activity of the Cu-based catalyst with ZnO as carrier was higher than that of the catalyst with CeO₂, Al₂O₃, or TiO₂ as carrier separately in the reaction. The addition of the CeO₂ to the Cu/ZnO catalysts improved the copper species dispersion, so that it was easier for the reduction of the Cu/CeO₂-ZnO catalyst than that of the Cu/ZnO catalyst according to the TPR analysis. The variation trend of the BET surface area and the copper surface area was consistent with those of the activity for the Cu/ZnO and the Cu/CeO₂-ZnO catalysts in the reaction. The activity of the Cu/CeO₂-ZnO catalyst was higher than that of the Cu/ZnO catalyst in the reaction.