硅和锗纳米线的原子排布和电荷分布的密度泛函紧束缚方法研究

低维硅锗材料是制备纳米电子器件的重要候选材料,是研发高效率、低能耗和超高速新一代纳米电子器件的基础材料之一,有着潜在的应用价值。采用密度泛函紧束缚方法分别对厚度相同、宽度在0.272 nm~0.554 nm之间的硅纳米线和宽度在0.283 nm~0.567 nm之间的锗纳米线的原子排布和电荷分布进行了计算研究。硅、锗纳米线宽度的改变使原子排布,纳米线的原子间键长和键角发生明显改变。纳米线表层结构的改变对各层内的电荷分布产生重要影响。纳米线中各原子的电荷转移量与该原子在表层内的位置相关。纳米线的尺寸和表层内原子排列结构对体系的稳定性产生重要影响。     

剪切形变下掺杂及缺陷对MoS2电子结构的影响

本文利用密度泛函理论,研究剪切形变下掺杂改性及不同类型缺陷对MoS2电子结构的影响。发现：剪切形变下,MoS2+P体系为相对最稳定的结构,掺杂改性相较于缺陷对模型稳定性影响更小;模型MoS2+P+Se中P-Mo键易形成共价键,而其中的Se-Mo键和MoS2+P-Mo-S模型中的P-Mo键,易形成离子键;掺杂使MoS2模型能隙变大,而缺陷使能隙减小,且S和Mo原子共缺陷的模型带隙为0;缺陷相较于掺杂改性模型,更能使Mo原子周围增加电荷聚集度,带隙值更低,更能影响或调控模型的电子结构。     

A posteriori error estimates for optimal control problems governed by parabolic equations

Summary. In this paper, we derive a posteriori error estimates for the finite element approximation of quadratic optimal control problem governed by linear parabolic equation. We obtain a posteriori error estimates for both the state and the control approximation. Such estimates, which are apparently not available in the literature, are an important step towards developing reliable adaptive finite element approximation schemes for the control problem. Received July 7, 2000 / Revised version received January 22, 2001 / Published online January 30, 2002 RID="*" ID="*" Supported by EPSRC research grant GR/R31980     

Lp (?m × ?n) boundedness for the Marcinkiewicz integral on product spaces

L^p(R^m × Rⁿ) boundedness is considered for the multiple Marcinkiewicz integral. Some size conditions implying the L^p(R^m × Rⁿ) boundedness of the multiple Marcinkiewicz integral for some fixed 1 > p > ∞ are obtained.     

平面动力问题的理论求解

通过对平面动力问题控制方程的分析,研究了相应的应力函数，得出了关于应力函数的基本方程。     

Nonlinear Boundary Stabilization of Nonuniform Timoshenko Beam

In this paper, the stabilization problem of nonuniform Timoshenko beam by some nonlinear boundary feedback controls is considered. By virtue of nonlinear semigroup theory, energy-perturbed approach and exponential multiplier method, it is shown that the vibration of the beam under the proposed control actiondecays exponentially or in negative power of time t as t→∞.     

On W-solvability for special vectorial Hamilton-Jacobi systems

We study the solvability of special vectorial Hamilton-Jacobi systems of the form F(Du(x))=0 in a Sobolev space. In this paper we establish the general existence theorems for certain Dirichlet problems using suitable approximation schemes called W^1,p-reduction principles that generalize the similar reduction principle for Lipschitz solutions. Our approach, to a large extent, unifies the existing methods for the existence results of the special Hamilton-Jacobi systems under study. The method relies on a new Baire's category argument concerning the residual continuity of a Baire-one function. Some sufficient conditions for W^1,p-reduction are also given along with certain generalization of some known results and a specific application to the boundary value problem for special weakly quasiregular mappings.     

New families of exact solitary patterns solutions for the nonlinearly dispersive R(m,n) equations

The R(m,n) equations u_tt+a(uⁿ)_xx+b(u^m)_xxtt=0 (a, b const) are investigated by using some ansatze. As a result, new exact solitary patterns solutions and solitary wave solutions are obtained. These obtained solutions show that not only the nonlinearly dispersive R(m,m) equations (m≠1) but also the linearly dispersive R(1,n) equations (m=1) possess solitary patterns solutions, which has infinite slopes or cusps and solitary wave solutions.     

Large deviations for heavy-tailed random sums of independent random variables with dominatedly varying tails

We prove large deviation results on the partial and random sums Sn = ∑i=1n Xi,n≥1; S(t) = ∑i=1N(t) Xi, t≥0, where {N(t);t≥0} are non-negative integer-valued random variables and {Xn;n≥1} are independent non-negative random variables with distribution, Fn, of Xn, independent of {N(t); t≥0}. Special attention is paid to the distribution of dominated variation.     

Liouville—Ttype Theorems for Conformal Gaussian Curvature Equations in R^2

In this paper,we derive an elementary identity for smooth solutions of the following equation:△u(x) K(x)e^2u(x)=0 in R^2 and use it to get some global properties of the solutions.