Molecular dynamics simulation of entropy and surface tension for grain boundary of α-Fe

The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the ∑9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of entropy to surface tension of grain boundary can be ignored. The project supported by the National Natural Science Foundation of China and the Science Foundation of Chinese Academy of Sciences.     

Molecule-to-metal bonds: electrografting polymers on conducting surfaces.

Electrografting is a powerful and versatile technique for modifying and decorating conducting surfaces with organic matter. Mainly based on the electro-induced polymerization of dissolved electro-active monomers on metallic or semiconducting surfaces, it finds applications in various fields including biocompatibility, protection against corrosion, lubrication, soldering, functionalization, adhesion, and template chemistry. Starting from experimental observations, this Review highlights the mechanism of the formation of covalent metal-carbon bonds by electro-induced processes, together with major applications such as derivatization of conducting surfaces with biomolecules that can be used in biosensing, lubrication of low-level electrical contacts, reversible trapping of ionic waste on reactive electrografted surfaces as an alternative to ion-exchange resins, and localized modification of conducting surfaces, a one-step process providing submicrometer grafted areas and which is used in microelectronics.     

极性晶体外表面电子的量子像势及其极化子的基态能量

本从与真空接触的存在二支声子的半无限极性晶体表面附近极化子的哈密顿算符入手，应用二支模型理论，分别对GaAs和ZnO两种材料计算了外表面电子的量子像势及其极化子的基态能量，计算结果表明，利用二支模型理论求出的外表面极化子的基态能量与利用一支模型理论求出的外表在面极化子的基态能量相差较大，对GaAs，误差约为31.1%, 对ZnO，误差约为14.8%。     

R~(2,1)中线性Weingarten曲面的Bcklund变换(英文)

本文对三维Minkowski空间R~(2,1)中具有性质K-2mH+m~2-l~2=0或H=constant的类时曲面定义了一个Darboux线汇,同时得到了相应的Bcklund变换。     

Riemann曲面上的正常和拟正常复合算子

Riemann曲面M上的平方可测1-形式全体和解析1-形式全体均可构成Hilbert空间。本文讨论Riemann曲面上的解析映射导出的这类Hilbert空间上的复合算子,研究复合算子的正常性、拟正常性的诱导映射特征。特别地,当M有有限三角剖分时,证明了正常复合算子、拟正常复合算子、酉复合算子、等距复合算子和可逆复合算子等价。     

Derivation techniques on the Hermitian surface

We discuss derivation‐like techniques for transforming one locally Hermitian partial ovoid of the Hermitian surface H(3,q²) into another one. These techniques correspond to replacing a regulus by its opposite in some naturally associated projective 3‐space PG(3,q) over a square root subfield. © 2006 Wiley Periodicals, Inc. J Combin Designs 15: 478–486, 2007     

On K1 and K2 of Algebraic Surfaces

In this paper we study higher Chow groups of smooth, projective surfaces over a field k of characteristic zero, using some new Hodge theoretic methods which we develop for this purpose. In particular we investigate the subgroup of CH ^r+1 (X,r) with r = 1,2 consisting of cycles that are supported over a normal crossing divisor Z on X. In this case, the Hodge theory of the complement forms an interesting variation of mixed Hodge structures in any geometric deformation of the situation. Our main result is a structure theorem in the case where X is a very general hypersurface of degree d in projective 3-space for d sufficiently large and Z is a union of very general hypersurface sections of X. In this case we show that the subgroup of CH ^r+1 (X,r) we consider is generated by obvious cycles only arising from rational functions on X with poles along Z. This can be seen as a generalization of the Noether–Lefschetz theorem for r = 0. In the case r = 1 there is a similar generalization by Müller-Stach, but our result is more precise than it, since it is geometric and not only cohomological. The case r = 2 is entirely new and original in this paper. For small d, we construct some explicit examples for r = 1 and 2 where the corresponding higher Chow groups are indecomposable, i.e. not the image of certain products of lower order groups. In an appendix Alberto Collino constructs even more indecomposable examples in CH ³ (X,2) which move in a one-dimensional family on the surface X.Contribution to appendix.     

Phase Separation Driven by a Fluctuating Two-Dimensional Self-Affine Potential Field

We study phase separation in a system of hard-core particles driven by a fluctuating two-dimensional self-affine potential landscape which evolves through Kardar–Parisi–Zhang (KPZ) dynamics. We find that particles tend to cluster together on a length scale which grows in time. The final phase-separated steady state is characterized by an unusual cusp singularity in the scaled correlation function and a broad distribution for the order parameter. Unlike the one-dimensional case studied earlier, the cluster-size distribution is asymmetric between particles and holes, reflecting the broken reflection symmetry of the KPZ dynamics, and has a contribution from an infinite cluster in addition to a power law part. A study of the surface in terms of coarse-grained depth variables helps understand many of these features.     

Front roughening in three-dimensional imbibition

We investigate the structure and dynamics of the interface between two immiscible liquids in a three-dimensional disordered porous medium. We apply a phase-field model that includes explicitly disorder and discuss both spontaneous and forced imbibition. The structure of the interface is dominated by a length scale ξ_× which arises from liquid conservation. We further show that disorder in the capillary and permeability act on different length scales and give rise to different scalings and structures of the interface properties. We conclude with a range of applications.     

Superconvergence of discontinuous Galerkin finite element method for the stationary Navier‐Stokes equations

This article focuses on discontinuous Galerkin method for the two‐ or three‐dimensional stationary incompressible Navier‐Stokes equations. The velocity field is approximated by discontinuous locally solenoidal finite element, and the pressure is approximated by the standard conforming finite element. Then, superconvergence of nonconforming finite element approximations is applied by using least‐squares surface fitting for the stationary Navier‐Stokes equations. The method ameliorates the two noticeable disadvantages about the given finite element pair. Finally, the superconvergence result is provided under some regular assumptions. © 2006 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 23: 421–436, 2007