Genericity of Well-Posedness, Perturbations and Smooth Variational Principles

We show that three important topics in nonlinear analysis and optimization are intimately related: the theory of perturbations, the notion of well-posedness and variational principles in the sense of Ekeland, Borwein–Preiss and Deville–Godefroy–Zizler. The concept of genericity and the new notion of flexible perturbation play a key role in these connections. This notion enables one to consider topologies on spaces of functions which have been introduced recently. A link between the Asplund and Ekeland–Lebourg methods and the Palais–Smale condition, another important topic in nonlinear analysis, is pointed out.     

The heat kernel and Hardy’s theorem on symmetric spaces of noncompact type

For symmetric spaces of noncompact type we prove an analogue of Hardy’s theorem which characterizes the heat kernel in terms of its order of magnitude and that of its Fourier transform.     

Exact solutions to the equations of perfect gases through Lie group analysis and substitution principles

In this paper we consider the equations that govern the motion of perfect gases. We explicitly characterize some classes of steady solutions in two and three space dimensions, by introducing invertible point transformations suggested by Lie group analysis; moreover, by using various transformations known as substitution principles, new steady and unsteady solutions are constructed.     

Variational principles for nonlinear piezoelectric materials

Summary In the present paper, we consider the behavior of nonlinear piezoelectric materials by generalization for this case of the Hashin-Shtrikman variational principles. The new general formulation used here differs from others, because, it gives the possibility to evaluate the upper and lower Hashin-Shtrikman bounds for specific physical nonlinearities of piezoelectric materials. Geometrical nonlinearities are not considered.This work was sponsored by PAPIIT, DGAPA-UNAM IN103301. PNCB IBMFQ 09-2004 and, completed while one of the authors (RRR) was visiting the Laboratoire de Modélisation en Mécanique from Université Pierre et Marie Curie, Paris, while another one (G.A.M) benefited from the Max-Plank Award for International Cooperation (2002–2005).     

Deformation of single‐walled carbon nanotubes by interaction with graphene: A first‐principles study

The interaction between single‐walled carbon nanotubes (SWNTs) and graphene were studied with first‐principles calculations. Both SWNTs and single‐layer graphene (SLG) or double‐layer graphene (DLG) display more remarkable deformations with the increase of SWNT diameter, which implies a stronger interaction between SWNTs and graphene. Besides, in DLG, deformation of the upper‐layer graphene is less than in SLG. Zigzag SWNTs show stronger interactions with SLG than armchair SWNTs, whereas the order is reversed for DLG, which can be interpreted by the mechanical properties of SWNTs and graphene. Density of states and band structures were also studied, and it was found that the interaction between a SWNT and graphene is not strong enough to bring about obvious influence on the electronic structures of SWNTs. © 2015 Wiley Periodicals, Inc.     

应用一般力学中的广义变分原理来研究Четаев条件

从一般力学的二类变量的广义变分原理的角度 ,说明了一类变量的Hamilton原理的约束方程中的qε+ β具有双重含义 :第一种含义是不能仅仅通过积分约束方程求得它的解 ,即约束是非完整的 ;第二种含义是qε + β的导数必为 qε + β,即满足关系式 qε + β=ddtqε+ β.虽然上述双重含义是并存在的 ,但是 ,在某种情况下第一种含义表现得比较明显 ,在另一种情况下第二种含义表现得比较明显 .在此基础上 ,推导出Четаев条件的几种等价的表达形式 ;说明了qε+ β 的双重含义在全部代入法和Lagrange乘子法中的体现 .     

On the canonical equations of Kirchhoff-Love theory of shells

The paper outlines a procedure to derive the canonical system of equations of the classical theory of thin shells using Reissner’s variational principle and partial variational principles. The Hamiltonian form of the Reissner functional is obtained using Lagrange multipliers to include the kinematical conditions that follow from the Kirchhoff-Love hypotheses. It is shown that the canonical system of equations can be represented in three different forms: one conventional form (five equilibrium equations) and two forms that are equivalent to it. This can be proved by reducing them to the same system of three equations. For problems with separable active and passive variables, partial variational principles are formulated __________ Translated from Prikladnaya Mekhanika, Vol. 43, No. 10, pp. 99–107, October 2007.     

Ti掺杂NbSe2电子结构的第一性原理研究

采用基于密度泛函理论框架下的第一性原理平面波超软赝势方法, 计算了理想2H-NbSe₂和Ti掺杂2H-NbSe₂晶体的几何结构及电子结构; 对掺杂前后超胞的能带图、态密度及分波态密度图进行了分析. 结果表明, 掺杂后费米能级附近能量区域的电子态密度出现了较高的峰值, 且费米能级位置发生了改变. 理论上可以认为Ti的掺杂会使得NbSe₂的导电性增强, 有利于开发新型的电接触复合材料.     

Modeling and simulations of interface properties with first‐principles electronic structure computations

We report extensive first‐principles electronic structure modeling and calculations for the SiC–SiO₂ interface, a solid–solid interface formed during oxidation of silicon carbide (SiC). The interface modeling provides atomic‐scale understanding about the nature of the interface defects as well as passivation effects due to the modification of the interface bonding. In particular, simulation results show that incorporation of hydrogen and fluorine decreases the defect density, thus enhancing the performance of SiC‐based electronic devices. Copyright © 2013 John Wiley & Sons, Ltd.