Pseudo-epitaxial C60 films prepared by a hot-wall method

We have used both reflection-geometry and grazing-incidence-geometry X-ray scattering to study thin films of C₆₀ evaporated onto mica substrates via a hot-wall technique. The growth mode yields close-packed C₆₀ planes, which are parallel to the substrate surface and which exhibit out-of-plane correlation lengths of 850 Å. In the film plane the C₆₀ is at best pseudo-epitaxial, with a 0.9° distribution of crystallite orientations, a 450 Å in-plane correlation length, and a 3.7% lattice mismatch, better than obtained by other thin film techniques but far from the accepted definition of single crystal thin film epitaxy.     

The complexity of cutting complexes

This paper investigates the combinatorial and computational aspects of certain extremal geometric problems in two and three dimensions. Specifically, we examine the problem of intersecting a convex subdivision with a line in order to maximize the number of intersections. A similar problem is to maximize the number of intersected facets in a cross-section of a three-dimensional convex polytope. Related problems concern maximum chains in certain families of posets defined over the regions of a convex subdivision. In most cases we are able to prove sharp bounds on the asymptotic behavior of the corresponding extremal functions. We also describe polynomial algorithms for all the problems discussed.Bernard Chazelle wishes to acknowledge the National Science Foundation for supporting this research in part under Grant No. MCS83-03925. Herbert Edelsbrunner is pleased to acknowledge the support of Amoco Fnd. Fac. Dev. Comput. Sci. 1-6-44862.     

The “corset effect” of spin-lattice relaxation in polymer melts confined in nanoporous media

Linear polyethylene oxides with molecular weightsM _w of 1665 and 10170 confined in pores with variable diameters in a solid methacrylate matrix were studied by proton field-cycling nuclear magnetic resonance relaxometry. The pore diameter was varied in the range of 9–57 nm. In all cases, the spin-lattice relaxation time shows a frequency dependence close toT ₁∞ v^3/4 in the range ofv=3·10^?1-2·10¹ MHz as predicted by the tube-reptation model. This protonT ₁ dispersion essentially reproduces that found in a previous deuteron study (R. Kimmich, R.-O. Seitter, U. Beginn, M. Möller, N. Fatkullin: Chem. Phys. Lett. 307, 147, 1999). As a feature particularly characteristic for reptation, this finding suggests that reptation is the dominating chain dynamics mechanism under pore confinement in the corresponding time range. The absolute values of the spin-lattice relaxation times indicate that the diameter of the effective tubes in which reptation occurs is much smaller than the pore diameters on the time scale of spin-lattice relaxation experimens. An estimation leads to a valued ^*～0.5 nm. The impenetrability of the solid pore walls, the uncrossability of polymer chains (“excluded volume”) and the low value of the compressibility in polymer melts create the “corset effect” which reduces the lateral motions of polymer chains to a microscopic scale of only a few tenths of a nanometer.     

Rotating Charge Coupled to the Maxwell Field: Scattering Theory and Adiabatic Limit

We consider a spinning charge coupled to the Maxwell field. Through the appropriate symmetry in the initial conditions the charge remains at rest. We establish that any time-dependent finite energy solution converges to a sum of a soliton wave and an outgoing free wave. The convergence holds in global energy norm. Under a small constant external magnetic field the soliton manifold is stable in local energy seminorms and the evolution of the angular velocity is guided by an effective finite-dimensional dynamics. The proof uses a non-autonomous integral inequality method.     

Direct SCF structure optimization of large molecules on networks of workstations

A program to optimize the structure of large molecules at the Hartree–Fock level of theory running concurrently on a network of workstations is presented. Problems encountered in obtaining nearly optimal speedup and their solutions are discussed. A simple scheduling algorithm is presented that enables up to 99.5% of the code to run in parallel. © 1993 John Wiley & Sons, Inc.