Based on the microscopic phase-field model, ordered domain interfaces formed between D022 （Ni3V） phases along [001] direction in Ni75AlxV25-x alloys were simulated, and the effects of atomic structure on the migrati...Based on the microscopic phase-field model, ordered domain interfaces formed between D022 （Ni3V） phases along [001] direction in Ni75AlxV25-x alloys were simulated, and the effects of atomic structure on the migration characteristic and solute segregation of interfaces were studied. It is found that the migration ability is related to the atomic structure of interfaces, and three kinds of interfaces can migrate except the interface （001）//（002） which has the characteristic of L12 （Ni3Al） structure. V atoms jump to the nearest neighbor site and substitute for Ni, and vice versa. Because of the site selectivity behaviors of jumping atoms, the number of jumping atoms during the migration is the least and the jumping distance of atoms is the shortest among all possible modes, and the atomic structures of interfaces are unchanged before and after the migration. The preferences and degree of segregation or depletion of alloy elements are also related to the atomic structure of interface.展开更多
Acid gas injection into saline aquifers is one of promising ways to reduce greenhouse gas emissions and to dispose hazardous waste simultaneously. On the basis of Level Set method, an improved mathematical model that ...Acid gas injection into saline aquifers is one of promising ways to reduce greenhouse gas emissions and to dispose hazardous waste simultaneously. On the basis of Level Set method, an improved mathematical model that described interfacial dynamics of acid gas-brine system in a deep confined saline aquifer was proposed for predicting the propagation of the acid gas plume, which was featured by using Peng-Robinson equation and modified Lucas equation to describe variations of the density and viscosity of acid gas in saline aquifers. The evolutional characte^stics of acid gas plume were obtained through numerical simulations using COMSOL Multiphysics 3.5a. The results showed that under intrinsic characteristics of aquifers and operational conditions given, the variation of acid gas density was the major factor that influences the patterns and shapes of the plume. The leading edge position of acid gas plume was intensively dependent on the acid gas composition. Under the scheme of fixed mass flow rate injection, as the molar fraction of H2S increased, the position of leading edge advanced gradually towards the injection well. Moreover, the estimation of the storage efficiency of acid gas in saline aquifers was clarified and discussed. The proposed approach and the simulation results will provide insights into the determination of optimal operational strategies and rapid identification of the consequences of acid gas injection into deep confined saline aquifers.展开更多
基金Projects (50941020, 10902086, 50875217, 20903075) supported by the National Natural Science Foundation of ChinaProjects (SJ08-ZT05, SJ08-B14) supported by the Natural Science Foundation of Shaanxi Province, ChinaProject (CX200905) supported by the Doctorate Foundation of Northwestern Polytechnical University, China
文摘Based on the microscopic phase-field model, ordered domain interfaces formed between D022 （Ni3V） phases along [001] direction in Ni75AlxV25-x alloys were simulated, and the effects of atomic structure on the migration characteristic and solute segregation of interfaces were studied. It is found that the migration ability is related to the atomic structure of interfaces, and three kinds of interfaces can migrate except the interface （001）//（002） which has the characteristic of L12 （Ni3Al） structure. V atoms jump to the nearest neighbor site and substitute for Ni, and vice versa. Because of the site selectivity behaviors of jumping atoms, the number of jumping atoms during the migration is the least and the jumping distance of atoms is the shortest among all possible modes, and the atomic structures of interfaces are unchanged before and after the migration. The preferences and degree of segregation or depletion of alloy elements are also related to the atomic structure of interface.
基金Supported by the National Natural Science Foundation of China （21176198）, and the Research Fund for the Doctoral Program of Higher Education of China （2012021110071）.
文摘Acid gas injection into saline aquifers is one of promising ways to reduce greenhouse gas emissions and to dispose hazardous waste simultaneously. On the basis of Level Set method, an improved mathematical model that described interfacial dynamics of acid gas-brine system in a deep confined saline aquifer was proposed for predicting the propagation of the acid gas plume, which was featured by using Peng-Robinson equation and modified Lucas equation to describe variations of the density and viscosity of acid gas in saline aquifers. The evolutional characte^stics of acid gas plume were obtained through numerical simulations using COMSOL Multiphysics 3.5a. The results showed that under intrinsic characteristics of aquifers and operational conditions given, the variation of acid gas density was the major factor that influences the patterns and shapes of the plume. The leading edge position of acid gas plume was intensively dependent on the acid gas composition. Under the scheme of fixed mass flow rate injection, as the molar fraction of H2S increased, the position of leading edge advanced gradually towards the injection well. Moreover, the estimation of the storage efficiency of acid gas in saline aquifers was clarified and discussed. The proposed approach and the simulation results will provide insights into the determination of optimal operational strategies and rapid identification of the consequences of acid gas injection into deep confined saline aquifers.
