阻尼落体运动的分析力学研究

应用分析力学理论和方法,研究了两种情况下的阻尼落体运动:1)阻力大小与速度成正比;2)阻力大小与速度平方成正比.对两种运动分别给出了等效的Lagrange函数和Hamilton函数,并应用第一积分法、点变换法、正则变换法和Ham-ilton-Jacobi方程法等不同的求解方法进行了求解.     

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.     

The Ithaca interpretation of quantum mechanics

I list several strong requirements for what I would consider a sensible interpretation of quantum mechanics and discuss two simple recent theorems which have important implications for such an interpretation. My talk will not clear everything up; indeed, you may conclude that it has not cleared anything up. But I hope it will provide a different perspective from which to view some old and vexing puzzles (or, if you believe nothing needs to be cleared up, some ancient verities.)     

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.     

A mathematical model of the ring-spinning process

This paper develops a mathematical model of the ring-spinning process that takes into account its non-stationary nature. A complex system of differential equations is obtained, which from a mathematical point of view constitutes a ‘free-boundary’ problem. Its solution involves definition of suitable boundary conditions related to the mechanical characteristics of the process and of the spinning machine itself. The boundary conditions which determine the solution are pointed out. A numerical solution of the system of differential equations can be obtained by the Finite-Segments method, as shown in an example.     

Climbing Mount Scalable: Physical Resource Requirements for a Scalable Quantum Computer

The primary resource for quantum computation is Hilbert-space dimension. Whereas Hilbert space itself is an abstract construction, the number of dimensions available to a system is a physical quantity that requires physical resources. Avoiding a demand for an exponential amount of these resources places a fundamental constraint on the systems that are suitable for scalable quantum computation. To be scalable, the effective number of degrees of freedom in the computer must grow nearly linearly with the number of qubits in an equivalent qubit-based quantum computer.     

Analysis of saltation characteristics of bed-load transport in flowing water

The study of bed-load transport is of great significance both in theory and in practice. This paper discusses the saltation of bed-load solid grains in flowing water. Experiments and theoretic analysis have been made by means of high-speed photographing and advanced data processing technique with a combined method based on mechanical and statistical theories. It indicates that the saltation is the main form of the bed-load transport under ordinary flowing conditions. In the meantime, taking successive saltation as the model of bed-load transport, systematic analysis has been made with regard to the kinematic properties and mechanism of saltation. The statistical analysis shows that the probability density functions of the relative height and length of saltation are in conformity with Γ-type distribution, while the probability density functions of the relative velocities of saltation are in conformity with the Gaussian distribution. The project supported by National Natural Science Foundation of China     

1，4－二氟四苯基苯的合成、结构与构象

借助电子转移催化反应的方法，用电子给予体１，４－二锂四苯基丁二烯将惰性的三溴氟甲烷活化，并与之发生反应，产物１，４－二氟四苯基苯的结构经ＭＳ、ＮＭＲ和Ｘ射线单晶衍射确证，并以分子力学的方法对其进行了构象分析。