Al 2O 3/Al composite was fabricated by the reaction between SiO 2 and molten aluminum.The microstructures of the composite obtained under different reaction conditions were analyzed. The formation mechanism of the ...Al 2O 3/Al composite was fabricated by the reaction between SiO 2 and molten aluminum.The microstructures of the composite obtained under different reaction conditions were analyzed. The formation mechanism of the composite microstructure was discussed. Results show that the reaction kinetics is influenced remarkably by the reaction temperature, reaction time and the quantity of SiO 2.The morphologies of Al 2O 3 have different features,depending on the reaction temperature.The composite has equiaxed Al 2O 3 grains when materials reacted below 1200℃,and the composite is composed of a large number of fine Al 2O 3 grains and aluminum.The composite has a frame shaped Al 2O 3 microstructure at the reaction temperature of above 1250℃.展开更多
The clay force field（CLAYFF） was supplemented by fluorine potential parameters deriving from experimental structures and used to model various topazes. The calculated cell parameters agree well with the observed str...The clay force field（CLAYFF） was supplemented by fluorine potential parameters deriving from experimental structures and used to model various topazes. The calculated cell parameters agree well with the observed structures. The quasi-linear correlation of the b lattice parameter to different F/OH ratios calculated by changing fluorine contents in OH-topaz supports that the F content can be measured by an optical method. Hydrogen bond calculations reveal that the hydrogen bond interaction to H1 is stronger than that to H2, and the more fluorine in the structure, the stronger the hydrogen bond interaction of hydroxyl hydrogen. Defect calculations provide the formation energies of all common defects and can be used to judge the ease of formation of them. The calculated vibrational frequencies are fairly consistent with available experimental results, and the 1080-cm^-1frequency often occurring in natural OH-topaz samples can be attributed to Si–F stretching because of the F substitution to OH and the Al–Si exchange.展开更多
文摘Al 2O 3/Al composite was fabricated by the reaction between SiO 2 and molten aluminum.The microstructures of the composite obtained under different reaction conditions were analyzed. The formation mechanism of the composite microstructure was discussed. Results show that the reaction kinetics is influenced remarkably by the reaction temperature, reaction time and the quantity of SiO 2.The morphologies of Al 2O 3 have different features,depending on the reaction temperature.The composite has equiaxed Al 2O 3 grains when materials reacted below 1200℃,and the composite is composed of a large number of fine Al 2O 3 grains and aluminum.The composite has a frame shaped Al 2O 3 microstructure at the reaction temperature of above 1250℃.
基金Project supported by the Natural Science Foundation of Jiangsu Province,China(Grant Nos.BK20140212)the Fundamental Research Funds for the Central Universities China(Grant Nos.2012QNA08)
文摘The clay force field（CLAYFF） was supplemented by fluorine potential parameters deriving from experimental structures and used to model various topazes. The calculated cell parameters agree well with the observed structures. The quasi-linear correlation of the b lattice parameter to different F/OH ratios calculated by changing fluorine contents in OH-topaz supports that the F content can be measured by an optical method. Hydrogen bond calculations reveal that the hydrogen bond interaction to H1 is stronger than that to H2, and the more fluorine in the structure, the stronger the hydrogen bond interaction of hydroxyl hydrogen. Defect calculations provide the formation energies of all common defects and can be used to judge the ease of formation of them. The calculated vibrational frequencies are fairly consistent with available experimental results, and the 1080-cm^-1frequency often occurring in natural OH-topaz samples can be attributed to Si–F stretching because of the F substitution to OH and the Al–Si exchange.
