电机内电磁力密度的精确计算对电机的结构设计及故障诊断具有重要意义,然而目前尚缺乏简便实用的电磁力密度数值计算方法。为此,在有限元分析方法(finite element method,FEM)和局部虚位移法的基础上,按虚功等效的原则建立由等效节点力...电机内电磁力密度的精确计算对电机的结构设计及故障诊断具有重要意义,然而目前尚缺乏简便实用的电磁力密度数值计算方法。为此,在有限元分析方法(finite element method,FEM)和局部虚位移法的基础上,按虚功等效的原则建立由等效节点力进一步计算介质内部电磁力密度和不同介质交界面处电磁应力的数学模型,进而推导了二维平行平面场条件下的具体计算公式。实例计算表明,与其它算法相比,该方法在相同剖分下具有较高的计算精度,且计算结果受剖分的影响较小。展开更多
In order to understand the Kondo effect observed in molecular systems, first-principles calculations have been widely used to predict the ground state properties of molecules on metal substrates. In this work, the int...In order to understand the Kondo effect observed in molecular systems, first-principles calculations have been widely used to predict the ground state properties of molecules on metal substrates. In this work, the interaction and the local magnetic moments of magnetic molecules （3d-metal phthalocyanine and tetraphenylporphyrin molecules） on noble metal surfaces are investigated based on the density functional theory. The calculation results show that the dz2 orbital of the transition metal atom of the molecule plays a dominant role in the molecule-surface interaction and the adsorption energy exhibits a simple declining trend as the adsorption distance increases. In addition, the Au（111） surface generally has a weak interaction with the adsorbed molecule compared with the Cu（ll 1） surface and thus serves as a better candidate substrate for studying the Kondo effect. The relation between the local magnetic moment and the Coulomb interaction U is examined by carrying out the GGA＋U calculation according to Dudarev＇s scheme. We find that the Coulomb interaction is essential for estimating the local magnetic moment in molecule-surface systems, and we suggest that the reference values of parameter U are 2 eV for Fe and 2-3 eV for Co.展开更多
文摘电机内电磁力密度的精确计算对电机的结构设计及故障诊断具有重要意义,然而目前尚缺乏简便实用的电磁力密度数值计算方法。为此,在有限元分析方法(finite element method,FEM)和局部虚位移法的基础上,按虚功等效的原则建立由等效节点力进一步计算介质内部电磁力密度和不同介质交界面处电磁应力的数学模型,进而推导了二维平行平面场条件下的具体计算公式。实例计算表明,与其它算法相比,该方法在相同剖分下具有较高的计算精度,且计算结果受剖分的影响较小。
基金supported by the National Natural Science Foundation of China (Grant No. 51210003)the National Basic Research Program of China (Grant Nos. 2011CB921702 and 2011CB808401)
文摘In order to understand the Kondo effect observed in molecular systems, first-principles calculations have been widely used to predict the ground state properties of molecules on metal substrates. In this work, the interaction and the local magnetic moments of magnetic molecules （3d-metal phthalocyanine and tetraphenylporphyrin molecules） on noble metal surfaces are investigated based on the density functional theory. The calculation results show that the dz2 orbital of the transition metal atom of the molecule plays a dominant role in the molecule-surface interaction and the adsorption energy exhibits a simple declining trend as the adsorption distance increases. In addition, the Au（111） surface generally has a weak interaction with the adsorbed molecule compared with the Cu（ll 1） surface and thus serves as a better candidate substrate for studying the Kondo effect. The relation between the local magnetic moment and the Coulomb interaction U is examined by carrying out the GGA＋U calculation according to Dudarev＇s scheme. We find that the Coulomb interaction is essential for estimating the local magnetic moment in molecule-surface systems, and we suggest that the reference values of parameter U are 2 eV for Fe and 2-3 eV for Co.
