The impact of Mg content on the structural,electrical and optical properties of MgZnO alloys: A first principles study

The structural, electronic and optical properties of wurtzite MgZnO with Mg concentration ranging from 0 to 0.5 are studied using the first principle calculations. It's found that the lattice constants c and specific volume V of the MgZnO alloys decrease and their band gap widens as Mg concentration increases, which are in agreement with our experimental results. A particular Mg concentration is found to exist at around 0.375, equals to which the corresponding MgZnO alloy has the minimum width of the top valence band. This indicates that Mg concentration may be used to tune the electronic properties of MgZnO alloy. Meanwhile, it's also found that the energy response range of the optical spectrums decreases with the increase of Mg concentration. There are different energy shifts toward high energy (blue shift) of the peaks in the optical spectrums with the increase of Mg concentration, which are explained by the variations of the density of states in details. So the electronic and optical properties of MgZnO may be tuned through Mg concentration, and our research results may provide meaningful references to the development and design of photoelectric devices.     

多层黑磷中厚度和应力依赖的能隙变化研究

采用基于密度泛函理论的第一性原理方法研究了单层及多层黑磷晶体的能隙随层数和外加应力的变化.计算结果表明,体系能隙随着层数的增加而减小,当层数增加到10时,二维黑磷的能隙非常接近于其体材料值.层间的相互作用导致的能带劈裂是能隙减小的直接原因.应力对10层黑磷电子结构的影响也被研究.计算表明,压缩应力可以使10层黑磷从半导体转变为金属,而拉伸应力仅对能隙大小产生影响.     

Modelling, Dynamics and Control of Tethered Satellite Systems

Tethered satellite systems (TSS) pose quite challenging problems concerning their modelling, derivation of the equations of motion, numerical simulation of their dynamics, deciding on stability of relative equilibria provided the system moves on a circular orbit around the Earth and the occurrence of chaotic dynamics. Moreover, for the processes of deployment or retrieval of one satellite from or to another satellite certain control strategies, for example time or energy optimal control, are necessary. All these problems are considered in this paper.     

电磁热弹性介质的一些基本理论

具有电磁热弹性耦合性质的介质是许多传感器及机敏结构或系统中的关键材料，本文第一部分动态变分原理已就具有这种性质的机敏材料动力学理论作了较为系统的分析。在此第二部分则系统地讨论了在数值计算中极具重要性的各类变分原理，包括准静态变分原理、动态变分原理和关于固有频率的变分原理。     

Choosing the Parameters of a Mechanical System with Interval Stability

A new approach to the solution of the interval-stability problem is expounded. The approach is based on the idea of maximum extension of the initial system and on the M-matrix theory. As an example, mechanical systems with fuzzy parameters are considered     

A Variational Principle for Molecular Motors

Intracellular transport in eukarya is attributed to motor proteins that transduce chemical energy into directed mechanical energy. These nanoscale size motors carry organelles and other cargo on microtubles, are active in mitosis, and play roles in other functions. They function in a highly viscous setting with overdamped dynamics and are in configurations far from conventional notions of equilibrium. We derive a dissipation principle that describes transport in a typical motor system that establishes a weak topology as the natural environment for the system and also yields the equations of evolution.     

基于参数变分原理的Cosserat连续体弹塑性分析

基于参数变分原理,提出了Cosserat模型弹塑性计算的算法,给出了基于Cosserat理论的参数最小势能原理,基于所提出的变分方程,建立了Cosserat理论弹塑性分析的参数二次规划模型,进一步将算法应用于平面应变软化问题计算中,获得的结果具有良好的非网格依赖性.     

Saint-Venant's principle in linear isotropic elasticity for incompressible or nearly incompressible materials

One of the unresolved issues on Saint-Venant's principle concerns the energy decay estimates established in the literature for the traction boundary-value problem of three-dimensional linear isotropic elastostatics for a cylinder. For the semi-infinite cylinder with traction-free lateral surface and self-equilibrated loads at the near end, it has been shown that the stresses decay exponentially from the end and results were obtained for the estimated decay rate, which is a lower bound for the exact decay rate. These results are, however, generally conservative in that they underestimate the exact decay rate. Another shortcoming, which motivated the present investigation, is that the estimated decay rates tend to zero as the Poisson's ratio tends to the value 1/2. Thus for the limiting case of an incompressible material, these methods fail to establish exponential decay. The purpose of the present paper is to remedy this defect. In particular, an exponential decay estimate is established with estimated decay rate independent of Poisson's ratio. Thus, in particular, the results here hold in the incompressible limit as 1/2. An alternative treatment directly for the incompressible case has been given recently. It should be noted that the stresses in the three-dimensional traction boundary-value problem do depend on Poisson's ratio and that stress decay estimates for the cylinder problem with estimated decay rates dependent on are, in fact, to be expected. However, in the absence of such results that do not deteriorate as 1/2, we obtain here an estimated decay rate that is independent of .     

Two methods of solving dynamic response by discretization of Gurtin variational principle

Based on the Gurtin variational principle and the finite element method two recurrence formulae of solving dynamic response are derived in this paper. The first recurrence formula which is conditionally stable is obtained by adopting “dual temporal finite element” to discretize the Gurtin variational principle and then making use of convolution, while the second, an unconditionally stable one derived by discritizing the variational principle in each time step and taking approprlate integration parameter θ. The paper had been accepted by the XVIth International Congress of IUTAM, Lyngby, Denmark, August, 1984.     

On two-dimensional water waves in a canalSur les ondes de surface bidimensionnelles dans un canal

This Note deals with an eigenvalue problem that contains a spectral parameter in a boundary condition. The problem for the two-dimensional Laplace equation describes free, time-harmonic water waves in a canal having uniform cross-section and bounded from above by a horizontal free surface. It is shown that there exists a domain for which at least one of eigenfunctions has a nodal line with both ends on the free surface. Since Kuttler essentially used the non-existence of such nodal lines in his proof of simplicity of the fundamental sloshing eigenvalue in the two-dimensional case, we propose a new variational principle for demonstrating this latter fact. To cite this article: V. Kozlov, N. Kuznetsov, C. R. Mecanique 331 (2003).