The high temperature chemical reaction process of La2O3 in H3BO3-C system was studied by means of XRD and TG-DTA.The results showed that dehydration reaction of H3BO3 occurred in the temperature range of 82～390 ℃;La...The high temperature chemical reaction process of La2O3 in H3BO3-C system was studied by means of XRD and TG-DTA.The results showed that dehydration reaction of H3BO3 occurred in the temperature range of 82～390 ℃;La2O3 and B2O3 reacted to form LaB3O6,LaBO3,and B4C in the temperature range of 836～1400℃;at 1450 ℃,B4C and LaBO3 further reacted to form LaB4,and partial LaB4 and B reacted to form LaB6;at 1500 ℃,LaB4 and B reacting into LaB6 was the main reaction,and the content of LaB6 increased with prolonging time.展开更多
The properties of boron carbide-lanthanum boride composite material prepared by hot pressed sintering method was tested, and lanthanum boride as a sintering aid for boron carbide was investigated. The result shows tha...The properties of boron carbide-lanthanum boride composite material prepared by hot pressed sintering method was tested, and lanthanum boride as a sintering aid for boron carbide was investigated. The result shows that the hardness of boron carbide-lanthanum boride increases with the increasing content of lanthanum boride. When the content of the lanthanum boride is 6%, the hardness reaches its supreme value of 31.83 GPa, and its hardness is improved nearly 20.52% compared to monolithic boron carbide. The content of the lanthanum boride does not greatly affect flexibility strength, however, it gives much effect on fracture toughness. The curve of fracture toughness likes the form of saw-toothed wave as the content of lanthanum boride increases in the test. When the content of the lanthanum boride is 6%, the fracture toughness reaches its supreme value of 5.14 MPa·m 1/2, which is improved nearly 39.67% compared with monolithic boron carbide materials. The fracture scanning electric microscope analysis of boron carbide-lanthanum boride composite material shows that, with the increase of the content of lanthanum boride, the interior station of monolithic boron carbide is changed. The crystallite arrangement is so compact that pores disappear gradually. The main fracture way of boron carbide-lanthanum boride composite material is intercrystalline rupture, while the transcrystalline rupture is minor, which is in accordance with fracture mechanism of ceramic material. It indicates that this change of fracture mode by the addition of lanthanum boride gives rise to the improvement of the fracture toughness.展开更多
Potential energy curves for the lowest electronic states of LaB and LaB- have been calculated by ab initio calculations.The diffusion Monte Carlo method has been employed in combination with three different trial func...Potential energy curves for the lowest electronic states of LaB and LaB- have been calculated by ab initio calculations.The diffusion Monte Carlo method has been employed in combination with three different trial functions. Spectroscopic constants have also been numerically derived for the neutral molecule and compared with the only available theoretical work;^（[19]） however, predictions are provided for the corresponding constants for the anionic species which have not been reported yet. Our calculations suggest the high spin quintet state of LaB as the ground state with the triplet state higher in energy irrespective of the type of the functional used. This suggestion is in good accordance with the previous theoretical results calculated at B3LYP/LANL2DZ level of theory, whereas it contradicts with the prediction based upon B3LYP/SDD calculations in the same study. Moreover, variations of the permanent dipole moments as a function of the internuclear separations for the two electronic states of the neutral molecule have been studied and analyzed.展开更多
基金Project supported by the National Natural Science Foundation of China(5057403)Scientific Research Special Foundation of Doctor Subject of Chinese University(20030145015)
文摘The high temperature chemical reaction process of La2O3 in H3BO3-C system was studied by means of XRD and TG-DTA.The results showed that dehydration reaction of H3BO3 occurred in the temperature range of 82～390 ℃;La2O3 and B2O3 reacted to form LaB3O6,LaBO3,and B4C in the temperature range of 836～1400℃;at 1450 ℃,B4C and LaBO3 further reacted to form LaB4,and partial LaB4 and B reacted to form LaB6;at 1500 ℃,LaB4 and B reacting into LaB6 was the main reaction,and the content of LaB6 increased with prolonging time.
文摘The properties of boron carbide-lanthanum boride composite material prepared by hot pressed sintering method was tested, and lanthanum boride as a sintering aid for boron carbide was investigated. The result shows that the hardness of boron carbide-lanthanum boride increases with the increasing content of lanthanum boride. When the content of the lanthanum boride is 6%, the hardness reaches its supreme value of 31.83 GPa, and its hardness is improved nearly 20.52% compared to monolithic boron carbide. The content of the lanthanum boride does not greatly affect flexibility strength, however, it gives much effect on fracture toughness. The curve of fracture toughness likes the form of saw-toothed wave as the content of lanthanum boride increases in the test. When the content of the lanthanum boride is 6%, the fracture toughness reaches its supreme value of 5.14 MPa·m 1/2, which is improved nearly 39.67% compared with monolithic boron carbide materials. The fracture scanning electric microscope analysis of boron carbide-lanthanum boride composite material shows that, with the increase of the content of lanthanum boride, the interior station of monolithic boron carbide is changed. The crystallite arrangement is so compact that pores disappear gradually. The main fracture way of boron carbide-lanthanum boride composite material is intercrystalline rupture, while the transcrystalline rupture is minor, which is in accordance with fracture mechanism of ceramic material. It indicates that this change of fracture mode by the addition of lanthanum boride gives rise to the improvement of the fracture toughness.
文摘Potential energy curves for the lowest electronic states of LaB and LaB- have been calculated by ab initio calculations.The diffusion Monte Carlo method has been employed in combination with three different trial functions. Spectroscopic constants have also been numerically derived for the neutral molecule and compared with the only available theoretical work;^（[19]） however, predictions are provided for the corresponding constants for the anionic species which have not been reported yet. Our calculations suggest the high spin quintet state of LaB as the ground state with the triplet state higher in energy irrespective of the type of the functional used. This suggestion is in good accordance with the previous theoretical results calculated at B3LYP/LANL2DZ level of theory, whereas it contradicts with the prediction based upon B3LYP/SDD calculations in the same study. Moreover, variations of the permanent dipole moments as a function of the internuclear separations for the two electronic states of the neutral molecule have been studied and analyzed.
