Quantum density functional theory （DFT） results are reported for the building block [LaL^1（NO3）] of La complex [LaL^1（NO3）]NO3·5H2O （L^1 = （CH3）2CHCH2CH（NCHC4H3O）COO^-）. The structure was optimized an...Quantum density functional theory （DFT） results are reported for the building block [LaL^1（NO3）] of La complex [LaL^1（NO3）]NO3·5H2O （L^1 = （CH3）2CHCH2CH（NCHC4H3O）COO^-）. The structure was optimized and the calculation results show that the lanthanum ion is coordinated by one nitrogen atom and three oxygen atoms of L^1 and two oxygen atoms of nitrate ion. The bond length of La-N is 0.2637 nm and the average length of La-O is 0.2526 nm, which are consistent with the literatures. In addition, the stabilities, electronic structural characteristics and IR spectra of the complex have been analyzed, which describe the coordination of lanthanum ion with other atoms in detail.展开更多
The energy relationships among all the elements, by which the magnetostrictive transducers are manufactured, in Finite Element Method (FEM) are analyzed, then the expres- sions of FEM dynamics equations and performanc...The energy relationships among all the elements, by which the magnetostrictive transducers are manufactured, in Finite Element Method (FEM) are analyzed, then the expres- sions of FEM dynamics equations and performances formulas for magnetostrictive transducers are derived. The vibrating modes of the class VII transducer and its shell vibration are calcu- lated theoretically and the results point out that there is a breathing mode and if the transducer works at this mode, the transducer will vibrate with a greater volume speed and source level.展开更多
基金This work was supported by the National Natural Science Foundation of China (20203011)
文摘Quantum density functional theory （DFT） results are reported for the building block [LaL^1（NO3）] of La complex [LaL^1（NO3）]NO3·5H2O （L^1 = （CH3）2CHCH2CH（NCHC4H3O）COO^-）. The structure was optimized and the calculation results show that the lanthanum ion is coordinated by one nitrogen atom and three oxygen atoms of L^1 and two oxygen atoms of nitrate ion. The bond length of La-N is 0.2637 nm and the average length of La-O is 0.2526 nm, which are consistent with the literatures. In addition, the stabilities, electronic structural characteristics and IR spectra of the complex have been analyzed, which describe the coordination of lanthanum ion with other atoms in detail.
基金the Scientific Fund of Shaanxi Province and the Youth Scientific Fund ofShaanxi Normal University
文摘The energy relationships among all the elements, by which the magnetostrictive transducers are manufactured, in Finite Element Method (FEM) are analyzed, then the expres- sions of FEM dynamics equations and performances formulas for magnetostrictive transducers are derived. The vibrating modes of the class VII transducer and its shell vibration are calcu- lated theoretically and the results point out that there is a breathing mode and if the transducer works at this mode, the transducer will vibrate with a greater volume speed and source level.
