Relativistic and electron‐correlation effects on magnetizabilities investigated by the Douglas‐Kroll‐Hess method and the second‐order Møller‐Plesset perturbation theory

Isotropic and anisotropic magnetizabilities for noble gas atoms and a series of singlet and triplet molecules were calculated using the second‐order Douglas‐Kroll‐Hess (DKH2) Hamiltonian containing the vector potential A and in part using second‐order generalized unrestricted Møller‐Plesset (GUMP2) theory. The DKH2 Hamiltonian was resolved into three parts (spin‐free terms, spin‐dependent terms, and magnetic perturbation terms), and the magnetizabilities were decomposed into diamagnetic and paramagnetic terms to investigate the relativistic and electron‐correlation effects in detail. For Ne, Kr, and Xe, the calculated magnetizabilities approached the experimental values, once relativistic and electron‐correlation effects were included. For the IF molecule, the magnetizability was strongly affected by the spin‐orbit interaction, and the total relativistic contribution amounted to 22%. For group 17, 16, 15, and 14 hydrides, the calculated relativistic effects were small (less than 3%), and trends were observed in relativistic and electron‐correlation effects across groups and periods. The magnetizability anisotropies of triplet molecules were generally larger than those of similar singlet molecules. The so‐called relativistic‐correlation interference for the magnetizabilities computed using the relativistic GUMP2 method can be neglected for the molecules evaluated, with exception of triplet SbH. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009     

Association schemes based on maximal totally isotropic subspaces in singular pseudo-symplectic spaces

This paper provides some new families of symmetric association schemes based on maximal totally isotropic subspaces in (singular) pseudo-symplectic spaces. All intersection numbers of these schemes are computed.     

Functional a posteriori error estimates for incremental models in elasto-plasticity

We consider incremental problem arising in elasto-plastic models with isotropic hardening. Our goal is to derive computable and guaranteed bounds of the difference between the exact solution and any function in the admissible (energy) class of the problem considered. Such estimates are obtained by an advanced version of the variational approach earlier used for linear boundary-value problems and nonlinear variational problems with convex functionals [24, 30]. They do no contain mesh-dependent constants and are valid for any conforming approximations regardless of the method used for their derivation. It is shown that the structure of error majorant reflects properties of the exact solution so that the majorant vanishes only if an approximate solution coincides with the exact one. Moreover, it possesses necessary continuity properties, so that any sequence of approximations converging to the exact solution in the energy space generates a sequence of positive numbers (explicitly computable by the majorant functional) that tends to zero.      

Viscosity and Diffusion Effects at the Boundary Surface of Viscous Fluid and Thermoelastic Diffusive Solid Medium

This paper concentrates on the wave motion at the interface of viscous compressible fluid half-space and homogeneous isotropic, generalized thermoelastic diffusive half-space. The wave solutions in both the fluid and thermoelastic diffusive half-spaces have been investigated; and the complex dispersion equation of leaky Rayleigh wave motion have been derived. The phase velocity and attenuation coefficient of leaky Rayleigh waves have been computed from the complex dispersion equation by using the Muller's method. The amplitudes of displacements, temperature change and concentration have been obtained. The effects of viscosity and diffusion on phase velocity and attenuation coefficient of leaky Rayleigh waves motion for different theories of thermoelastic diffusion have been depicted graphically. The magnitude of heat and mass diffusion flux vectors for different theories of thermoelastic diffusion have also been computed and represented graphically.     

Surface and thermal effects on vibration of embedded alumina nanobeams based on novel Timoshenko beam model

This paper deals with the free vibration analysis of circular alumina （Al2O3） nanobeams in the presence of surface and thermal effects resting on a Pasternak foun- dation. The system of motion equations is derived using Hamilton＇s principle under the assumptions of the classical Timoshenko beam theory. The effects of the transverse shear deformation and rotary inertia are also considered within the framework of the mentioned theory. The separation of variables approach is employed to discretize the governing equa- tions which are then solved by an analytical method to obtain the natural frequencies of the alumina nanobeams. The results show that the surface effects lead to an increase in the natural frequency of nanobeams as compared with the classical Timoshenko beam model. In addition, for nanobeams with large diameters, the surface effects may increase the natural frequencies by increasing the thermal effects. Moreover, with regard to the Pasternak elastic foundation, the natural frequencies are increased slightly. The results of the present model are compared with the literature, showing that the present model can capture correctly the surface effects in thermal vibration of nanobeams.     

各向同性钢材的断裂模型和屈服模型

基于钢材断裂前必先屈服的基本事实, 以钢材断裂面为屈服面后继扩大直至材料完整性(连续性）发生破坏为假设, 以已有的屈服模型的共同特征为切入点, 建议了各向同性钢材在主应力空间的二次函数型断裂模型和屈服模型. 根据不同钢材的特征应力值, 量化了各向同性钢材的二次函数型断裂模型和屈服模型. 依据不同钢材的特征应力值的相互关系, 建议的各向同性钢材的二次函数型断裂模型和屈服模型相应地描述为主应力空间的圆柱面、椭球面、抛物面和双曲面. 建议的各向同性钢材的二次函数型断裂模型和屈服模型较已有的强度模型更具一般性.     

Thermal stresses in infinite circular cylinder subjected to rotation

The present investigation is concerned with the effect of rotation on an infinite circular cylinder subjected to certain boundary conditions.An analytical procedure for evaluation of thermal stresses,displacements,and temperature in rotating cylinder subjected to thermal load along the radius is presented.The dynamic thermal stresses in an infinite elastic cylinder of radius a due to a constant temperature applied to a variable portion of the curved surface while the rest of surface is maintained at zero temperature are discussed.Such situation can arise due to melting of insulating material deposited on the surface cylinder.A solution and numerical results are obtained for the stress components,displacement components,and temperature.The results obtained from the present semi-analytical method are in good agreement with those obtained by using the previously developed methods.     

内撑式深基坑支护结构分析与方案选择

基坑内撑式支护具有经济、快捷和效率高等特点. 通过郑州市某雨水管道工程基坑支护的实践,介绍了内撑式支护结构在深基坑支护中的受力特点,结构分析与方案选择,为内撑式支护设计和施工提供了参考.     

可压缩各向同性衰减湍流直接数值模拟研究

采用五阶有限差分WENO格式直接模拟了高初始湍流Mach数的可压缩均匀各向同性湍流,主要分析了湍流的统计特性 和压缩性的影响,包括能谱特征、激波串、耗散率、标度律等. 研究表明,湍动能主要来自于速度场螺旋分量的贡献;各向同性湍流的小尺度脉动对压缩性更为敏感,并且压缩性的增强加快了湍流大 尺度脉动向小尺度脉动的湍动能输运;随着湍流Mach数的升高,胀量(压缩)耗散率所占比率也显著增长. 标度律分析表明,强可压缩湍流的横向速度结构函数仍然具有扩展自相似性;当阶数较高(p ≥ 5)时,纵向速度结构函数的扩展自相似性则不再成立. 对于压缩性较弱的湍流,与不可压缩湍流一致,横向湍流脉动的间歇性要强于纵向湍流脉动;而对于强可压缩湍流,纵向湍流脉动的 间歇性要强于横向湍流脉动.