The Mathematical Theory of Ito Diffusions on Hypersurfaces, with Applications to NMR Relaxation Problems

A mathematical framework for translational Brownian motion on hypersurfaces is presented, using an imbedding of the surface and Ito diffusions in the ambient space. This includes a survey of Ito calculus and differential geometry. Computational methods for time correlation functions relevant to spin relaxation studies on curved interfaces are given, and explicit calculations of time correlation functions and order parameters for a Rippled surface are presented.     

Accurate values for the nonrelativistic energies of the lowest singlet and triplet S-states of the4He-Isotop

Accurate lower and upper bounds for the nonrelativistic lowest energies¹ E ₀ and³ E ₀ of the singlet and triplet-system of the⁴He-Isotop are calculated with the linearized method of variance minimization. The same was done for¹ E ₁ the energy of the first excitedS-state 2¹ S. The results especially for¹ E ₀ and³ E ₀ in a.u. are −2.9033076997₅ ≤¹ E ₀ ≤ −2.9033076921₈ −2.1749324263₇ ≤³ E ₀ ≤ −2.1749324245₉ i.e. the values are determined with an absolute error smaller than 0.00167 cm⁻¹ for¹ E ₀ and 0.00039 cm⁻¹ for³ E ₀.     

THE CORRELATION EFFECT ON THE CHAIN MOTION CONTRIBUTION TO IONIC TRANSPORT IN POLYMER ELECTROLYTES

The ionic transport process in polymer electrolytes (such as polyethylene oxide) wassimulated numerically on a two dimensional square lattice where charge carriers areaccommodated by the lattice sites connected randomly with available bonds to represent theamorphous chain configuration. Following the dynamic bond percolation theory(DBPT),the chainmotion contribution to the ionic conduction was incorporated via periodical renewal of the randombond configuration. To check and extend the prediction made by DBPT employing global abruptbond renewal,spatial correlation of the bond reassignment was introduced to the system by: 1)regional bond renewal and 2) organized bond motion. It is found that the difference between thediffusivities simulated involving regional bond renewal and those of DBPT becomes negligiblewhen the bond renewal rate approaches the carrier hopping rate.     

NMR studies on solid cyclohexaamylose inclusion compounds

Orthorhombic inclusion compounds of cyclohexaamylose with methanol,n-propanol, acetic acid and water as guest molecules were studied using¹³C and²H NMR techniques.¹³C chemical shifts were correlated with structural data, whereas²H NMR lineshapes were used to derive information on guest molecule motions.Issued as NRCC No. 25568. Presented in part at the 2nd International Symposium on Clathrate Compounds and Molecular Inclusion Phenomena, Parma, Italy, 30 Aug.–3 Sept. 1982     

Heat capacities and volumes of transfer of cholesteryl oleyl carbonate into various solvents

Heat capacities C _p and volumes V have been obtained at 25°C for the transfer of cholesteryl oleyl carbonate (ChOC) from a reference solvent, the highly-branched alkane 2,2,4,4,6,8,8-heptamethylnonane into various solvents. These include normal, branched, and cyclic alkanes as well as the pure cholesteric ChOC. V and most C _p are associated with the change of environmental free volume during the transfer process and are predicted by the Prigogine-Flory theory. However, for n-alkane solvents with more than twelve carbons, C _p is large, positive, and unattributable to free volume changes. It is consistent with a restriction of alkane segmental motion by the ChOC. The same mechanism has been proposed to explain an antiplasticization effect of ChOC on transitions in polymers.     

Dielectric and13C NMR studies of the carbon monoxide clathrate hydrate

The structure I clathrate hydrate of carbon monoxide has been studied using dielectric measurements and¹³C NMR spectroscopy. Broad, weak dielectric absorption curves with maxima at 2.2–3.8 K yieldE _a = 0.14 kJ mol^–1 for the average Arrhenius activation energy associated with the reorientation of the low polarity guest. Except for H₂S this represents the fastest reorienting polar guest known among the clathrate hydrates. The low temperature dielectric absorption curves can best be fitted with a Cole-Davidson asymmetric distribution of relaxation times and activation energies (with = 0.06 at 4 × 10⁶ Hz), which at 10⁷ Hz has been resolved into a double symmetric distribution of discrete relaxation times for CO in the small and large cages. The cross-polarization magic angle spinning¹³C NMR spectra indicate identical chemical shifts for CO in the small and large cages, in contrast to other hydrates. The static spectra show that the CO molecules undergo anisotropic reorientation in the large cages and that there is still considerable mobility at 77 K. One possible model for the anisotropic motion has the CO rapidly moving among sites over each of the 14 faces of the cage with the CO axis orientated towards the cage centre. The cage occupancy ratio at 220 K, _s/ _L = 1.11, indicates slightly greater preference of CO for the small cage.Dedicated to Dr D. W. Davidson in honor of his great contributions to the sciences of inclusion phenomena.     

Random walk in an inhomogeneous medium with local impurities

In spite of Sinai's result that the decay of the velocity autocorrelation function for a random walk on ^d (d=2) can drastically change if local impurities are present, it is shown that local impurities can not abolish weak convergence to the Brownian motion if d2.     

基于联合变换相关器的像移测量仿真分析

对基于联合变换相关器的像移测量数学原理进行了说明,介绍了面阵CCD的安装位置以及输入图像的获取方法,分析了低信噪比输入图像、相对转动位移对测量精度的影响。应用MATLAB对输入图像进行傅里叶变换得到联合功率谱,对二值化处理的功率谱进行傅里叶变换得到相关输出,用质量中心算法计算出像移量。分析得出,输入图像信噪比大于5dB,测量均方误差小于0.05像素;输入图像相对转动位移在0.1°的范围内,转动位移对测量精度和峰噪比的影响可以忽略不计。综合分析表明像移测量均方误差小于0.05像素。     

The indenter tip radius effect in micro- and nanoindentation hardness experiments.

Nix and Gao established an important relation between the microindentation hardness and indentation depth. Such a relation has been verified by many microindentation experiments (indentation depths in the micrometer range), but it does not always hold in nanoindentation experiments (indentation depths approaching the nanometer range). Indenter tip radius effect has been proposed by Qu et al. and others as possibly the main factor that causes the deviation from Nix and Gao's relationship. We have developed an indentation model for micro- and nanoindentation, which accounts for two indenter shapes, a sharp, conical indenter and a conical indenter with a spherical tip. The analysis is based on the conventional theory of mechanism-based strain gradient plasticity established from the Taylor dislocation model to account for the effect of geometrically necessary dislocations. The comparison between numerical result and Feng and Nix's experimental data shows that the indenter tip radius effect indeed causes the deviation from Nix-Gao relation, but it seems not be the main factor. The project supported by the National Natural Science Foundation of China (10121202) and the Ministry of Education of China (20020003023)     

扁球面网壳的混沌运动研究

在圆形三向网架非线性动力学基本方程的基础上,用拟壳法给出了圆底扁球面三向网壳的非线性动力学基本方程．在固定边界条件下,引入了异于等厚度壳的无量纲量,对基本方程和边界条件进行无量纲化,通过Galerkin作用得到了一个含二次、三次的非线性动力学方程．为求Melnikov函数,对一类非线性动力系统的自由振动方程进行了求解,得到了此类问题的准确解．在无激励情况下,讨论了稳定性问题．在外激励情况下,通过求Melnikov函数,给出了可能发生混沌运动的条件．通过数字仿真绘出了平面相图,证实了混沌运动的存在．