Some properties of the bilevel programming problem

The purpose of this paper is to elaborate on the difficulties accompanying the development of efficient algorithms for solving the bilevel programming problem (BLPP). We begin with a pair of examples showing that, even under the best of circumstances, solutions may not exist. This is followed by a proof that the BLPP is NP-hard.This work was partially supported by a grant from the Advanced Research Program of the Texas Higher Education Coordinating Board.     

Constructing Space for Science at the Royal Institution of Great Britain

Those who have worked in the Royal Institution of Great Britain have, since its foundation in 1799, made significant contributions to scientific knowledge, to its practical application, and to its communication to a wide variety of audiences. Such work cannot be carried out in an architectural vacuum, and in this paper we examine how the buildings of the Royal Institution, 20 and 21 Albemarle Street in central London, have shaped the work undertaken within its walls and how, on a number of occasions, the buildings have been reconfigured to take account of the evolving needs of scientific research and communication. This paper is based on the Conservation Plan of the Royal Institution that we wrote during 2003. The Conservation Plan did not examine the land owned by the Royal Institution to the north (i.e., 22 and 23 Albemarle Street; for this area see Richard Garnier, “Grafton Street, Mayfair,” Georgian Group Journal 13 (2003), 210–272), but it did discuss 18 and 19 Albemarle Street. In this paper we concentrate on the core Royal Institution buildings at 20 and 21 Albemarle Street. Other studies of the relationship of architecture,space, and science include Crosbie Smith and Jon Agar, ed., Making Space for Science: Territorial Themes in the Shaping of Knowledge (Basingstoke: Macmillan, 1997); Peter Galison and Emily Thompson, ed., The Architecture of Science (Cambridge, Mass.: MIT Press, 1999); and Sophie Forgan,“The architecture of science and the idea of a university,” Studies in History and Philosophy of Science 20 (1989), 405–434. Frank A.J.L. James is Professor of the History of Science at the Royal Institution; he has written widely on the history of nineteenth-century science in its social and cultural contexts and is editor of the Correspondence of Michael Faraday. He is President of the British Society for the History of Science. Anthony Peers is an Associate of Rodney Melville and Partners where he works in the field of building conservation as an architectural historian. He is a Council member of the Ancient Monument Society.     

Monte Carlo Hamiltonian: Linear Potentials

We further study the validity of the Monte Carlo Hamiltonian method. The advantage of the method,in comparison with the standard Monte Carlo Lagrangian approach, is its capability to study the excited states. Weconsider two quantum mechanical models: a symmetric one V(x) = |x|/2; and an asymmetric one V(x) = ∞, forx ＜ 0 and V(x) = x, for x ≥ 0. The results for the spectrum, wave functions and thermodynamical observables are inagreement with the analytical or Runge-Kutta calculations.     

Some effective methods for unconstrained optimization based on the solution of systems of ordinary differential equations

In this paper, we review briefly some methods for minimizing a functionF(x), which proceed by follwoing the solution curve of a system of ordinary differential equations. Such methods have often been thought to be unacceptably expensive; but we show, by means of extensive numerical tests, using a variety of algorithms, that the ODE approach can in fact be implemented in such a way as to be more than competitive with currently available conventional techniques.This work was supported by a SERC research studentship for the first author. Both authors are indebted to Dr. J. J. McKeown and Dr. K. D. Patel of SCICON Ltd, the collaborating establishment, for their advice and encouragement.     

Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts

Recently, we have developed a new tight-binding quantum chemical molecular dynamics program “Colors” for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO₂(111) support. Significant electron transfer from the Pt particle to the CeO₂(111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO₂ surface is a main reason for the strong interaction of the Pt particle and CeO₂(111) support.     

Decay of confined,two-dimensional,spatially periodic arrays of vortices: A numerical investigation

The disarrangement of a perturbed lattice of vortices was studied numerically. The basic state is an exponentially decaying, exact solution of the Navier-Stokes equations. Square arrays of vortices with even numbers of vortex cells along each side were perturbed and their evolution was investigated. Whether the energy in the perturbation grows somewhat before it decays or decays monotonically depends on the initial strength of the vortices of the basic state, the extent of lateral confinement and the structure of the perturbation. The critical condition for temporally local instability, i.e. the critical amplitude of the basic state that must be exceeded to allow energy transfer from the basic state to the perturbation, is discussed. In the strongly confined case of a square lattice of four vortices the appearance of enchancement of global rotation is the result of energy transfer from the basic state to a temporally local unstable mode. Energy is transferred from the basic state to larger-scaled structures (inverse cascade) only if the scales of the larger structures are inherently contained in the initial structure of the perturbation. The initial structure of the double array of vortices is not maintained except for a very special form of perturbation. The facts that large scales decay more slowly than small scales and that, when non-linearities are sufficiently strong, energy is transferred from one scale to another explain the differences in the disarrangement process for different initial strengths of the vortices of the basic state. The stronger vortices, i.e. the vortices perturbed in a manner that increases their strength, tend to dominate the weaker vortices. The pairing and subsequent merging (or capture) of vortices of like sense into larger-scale vortices are described in terms of peaks in the evolution of the square root of the palinstrophy divided by the enstrophy.     

无原子布氏代数理论的计算复杂性

研究无原子布氏代数的计算复杂性 .得到了下面的新定理 :定理 1　无原子布氏代数理论Δ具有完全的量词消去法 ,也就是说每一个式子都Δ等价于一个开式子 .定理 2　无原子布氏代数的初等型Γ (x1,… ,xn)是由型内的不含量词的全体开式子所唯一决定 .定理 3　无原子布氏代数的一个长度为 n的语句的判断过程所消耗的 Turing时间和空间都是属于 2 2 cn指数级 .     

探索性物理实验的双重教育功能

利用现代教育理论，结合物理实验的教学实际，探讨和研究了探索性物理实验的双重教育功能．通过具体的探索性物理实验案例，验证了探索性物理实验具有激发学生的兴趣、发展学生的探索精神和唤起教师创造性的双重教育功能．     

Time resolved spectroscopic NMR imaging using hyperpolarized Xe

We have visualized the melting and dissolution processes of xenon (Xe) ice into different solvents using the methods of nuclear magnetic resonance (NMR) spectroscopy, imaging, and time resolved spectroscopic imaging by means of hyperpolarized ¹²⁹Xe. Starting from the initial condition of a hyperpolarized solid Xe layer frozen on top of an ethanol (ethanol/water) ice block we measured the Xe phase transitions as a function of time and temperature. In the pure ethanol sample, pieces of Xe ice first fall through the viscous ethanol to the bottom of the sample tube and then form a thin layer of liquid Xe/ethanol. The xenon atoms are trapped in this liquid layer up to room temperature and keep their magnetization over a time period of 11 min. In the ethanol/water mixture (80 vol%/20%), most of the polarized Xe liquid first stays on top of the ethanol/water ice block and then starts to penetrate into the pores and cracks of the ethanol/water ice block. In the final stage, nearly all the Xe polarization is in the gas phase above the liquid and trapped inside the pores. NMR spectra of homogeneous samples of pure ethanol containing thermally polarized Xe and the spectroscopic images of the melting process show that very high concentrations of hyperpolarized Xe (about half of the density of liquid Xe) can be stored or delivered in pure ethanol.     

强激光远场焦斑重构算法研究

 通过CCD图像采集单元结合传统的列阵相机测量高功率固体激光器的远场焦斑分布，采用图像处理技术的边缘算子提取焦斑的几何中心，提出通过几何中心对心的焦斑嵌套重构算法，解决了光斑饱和时的对心难题，实现了快捷准确测量激光焦斑，为激光器的实时控制提供参考数据。