In the production of castings,intrusive gas pore represents a kind of common defects which can lead to leakage in high gas-tightness requirement castings,such as cylinder blocks and cylinder heads for engines.It occur...In the production of castings,intrusive gas pore represents a kind of common defects which can lead to leakage in high gas-tightness requirement castings,such as cylinder blocks and cylinder heads for engines.It occurs due to the intrusion of gases generated during the resin burning of the sand core into castings during the casting process.Therefore,a gas generation and flow constitution model was established,in which the gas generation rate is a function of temperature and time,and the flow of gas is controlled by the gas release,conservation,and Darcy's law.The heat transfer and gas flow during casting process was numerically simulated.The dangerous point of cores is firstly identified by a virtual heat transfer method based on the similarity between heat transfer and gas flow in the sand core.The gas pores in castings are predicted by the gas pressure,the viscosity and state of the melt for these dangerous points.Three distinct sand core structures were designed and used for the production of iron castings,and the simulated gas pore results were validated by the obtained castings.展开更多
The electronic structures of three types of lattice defects in pyrites （i.e., As-substituted, Co-substituted, and intercrystalline Au py-rites） were calculated using the density functional theory （DFT）. In additio...The electronic structures of three types of lattice defects in pyrites （i.e., As-substituted, Co-substituted, and intercrystalline Au py-rites） were calculated using the density functional theory （DFT）. In addition, their band structures, density of states, and difference charge density were studied. The effect of the three types of lattice defects on the pyrite floatability was explored. The calculated results showed that the band-gaps of pyrites with Co-substitution and intercrystalline Au decreased significantly, which favors the oxidation of xanthate to dix-anthogen and the adsorption of dixanthogen during pyrite flotation. The stability of the pyrites increased in the following order： As-substituted 〈 perfect 〈 Co-substituted 〈 intercrystalline Au. Therefore, As-substituted pyrite is easier to be depressed by intensive oxidi-zation compared to perfect pyrite in a strongly alkaline medium. However, Co-substituted and intercrystalline Au pyrites are more difficult to be depressed compared to perfect pyrite. The analysis of the Mulliken bond population and the electron density difference indicates that the covalence characteristic of the S Fe bond is larger compared to the S S bond in perfect pyrite. In addition, the presence of the three types of lattice defects in the pyrite bulk results in an increase in the covalence level of the S Fe bond and a decrease in the covalence level of the S S bond, which affect the natural floatability of the pyrites.展开更多
基金funded by the Beijing Nature Sciences Fund Haidian Originality Cooperation Project (Grant No. L212002)。
文摘In the production of castings,intrusive gas pore represents a kind of common defects which can lead to leakage in high gas-tightness requirement castings,such as cylinder blocks and cylinder heads for engines.It occurs due to the intrusion of gases generated during the resin burning of the sand core into castings during the casting process.Therefore,a gas generation and flow constitution model was established,in which the gas generation rate is a function of temperature and time,and the flow of gas is controlled by the gas release,conservation,and Darcy's law.The heat transfer and gas flow during casting process was numerically simulated.The dangerous point of cores is firstly identified by a virtual heat transfer method based on the similarity between heat transfer and gas flow in the sand core.The gas pores in castings are predicted by the gas pressure,the viscosity and state of the melt for these dangerous points.Three distinct sand core structures were designed and used for the production of iron castings,and the simulated gas pore results were validated by the obtained castings.
基金supported by the National Natural Science Foundation of China (No.u0837602)
文摘The electronic structures of three types of lattice defects in pyrites （i.e., As-substituted, Co-substituted, and intercrystalline Au py-rites） were calculated using the density functional theory （DFT）. In addition, their band structures, density of states, and difference charge density were studied. The effect of the three types of lattice defects on the pyrite floatability was explored. The calculated results showed that the band-gaps of pyrites with Co-substitution and intercrystalline Au decreased significantly, which favors the oxidation of xanthate to dix-anthogen and the adsorption of dixanthogen during pyrite flotation. The stability of the pyrites increased in the following order： As-substituted 〈 perfect 〈 Co-substituted 〈 intercrystalline Au. Therefore, As-substituted pyrite is easier to be depressed by intensive oxidi-zation compared to perfect pyrite in a strongly alkaline medium. However, Co-substituted and intercrystalline Au pyrites are more difficult to be depressed compared to perfect pyrite. The analysis of the Mulliken bond population and the electron density difference indicates that the covalence characteristic of the S Fe bond is larger compared to the S S bond in perfect pyrite. In addition, the presence of the three types of lattice defects in the pyrite bulk results in an increase in the covalence level of the S Fe bond and a decrease in the covalence level of the S S bond, which affect the natural floatability of the pyrites.
