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91.
In this work, the melting-point depression and molecular dynamics of hexamethyldisilane confined within five controlled pore
glasses, with mean diameters ranging from 7.9 to 23.9 nm, are studied by high-field (9.4 T) nuclear magnetic resonance (NMR),
and the results are discussed with reference to the bulk substance. The melting-point depression in pores with radiusR follows the simplified Gibbs-Thompson equation ΔT=k
p/(R−s) with ak
p value of 74 K · nm and ans value of 1 nm. To our knowledge, this is the first time thek
p value of hexamethyldisilane is reported. Proton spin-lattice relaxation times (T
1), spin-spin relaxation times (T
2), and diffusivities (D) are reported as a function of temperature. The confinement in the pores gives rise to substantial changes in the molecular
dynamics and the phase behavior. The line-shape measurements reveal a two-phase system assigned to a relatively mobile component
at the pore walls and a crystalline solid at the center of the pores. However, theT
2 measurements show that the mobile phase also embraces a minor component attributed to nonfrozen liquid in pockets or micropores.
The diffusivity of the major narrow-line component is approximately three orders of magnitude larger than that in the plastic
bulk phase, reflecting fast diffusion of mobile molecules. Below the melting region,T
1 of the narrow line is significantly shorter thanT
1 of the broad line, suggesting that the molecular reorientation is more hindered close to the surface than at the center of
the pore. 相似文献
92.
We introduce here some Itô calculus for non-continuous Dirichlet processes. Such calculus extends what was known for continuous Dirichlet processes or for semimartingales. In particular we prove that non-continuous Dirichlet processes are stable under C
1 transformation. 相似文献
93.
Electrohydrodynamic instability in homeotropically oriented nematic samples of 4'-n-octyl-4-cyano-biphenyl and 4'n-alkyloxy-4-cyanobiphenyl, (n = 8.9) have been studied in an a.c. electric field. The domain patterns during the instability in these compounds in a very low frequency a.c. field are very similar to those in a d.c. field. The domain patterns observed at higher frequencies have been identified as 'maltese crosses' or 'crossed isogyres'. The electro-convective 'isotropic' flows near the electrode play an important role in the observed instability. 相似文献
94.
Erich Miersemann Hans D. Mittelmann W. Trnig 《Mathematical Methods in the Applied Sciences》1989,11(1):95-104
In this paper we generalize recent theoretical results on the local continuation of parameter-dependent non-linear variational inequalities. The variational inequalities are rather general and describe, for example, the buckling of beams, plates or shells subject to obstacles. Under a technical hypothesis that is satisfied by the simply supported beam, we obtain the existence of a continuation of both the solution and the eigenvalue with respect to a local parameter. A numerical continuation method is presented that easily overcomes turning points. Numerical results are presented for the non-linear beam. 相似文献
95.
Régine Barthelmé 《Comptes Rendus Mathematique》2005,341(11):689-694
This Note introduces a new integral form of the charge and current deposition scheme given in 1992 by Villasenor and Buneman, which permits the conservation of charge in PIC codes. This integral form extends directly to higher order spline shape factors, whose use produces less numerical noise. We thus get a discrete charge conserving method for high order shape factors. This method extends easily to nonuniform Cartesian grids for first order shape factors. To cite this article: R. Barthelmé, C. R. Acad. Sci. Paris, Ser. I 341 (2005). 相似文献
96.
97.
Quasi-wavelets (QWs) are a representation of turbulence consisting of self-similar, eddy-like structures with random orientations and positions in space. They are used in this paper to calculate the scattering, due to turbulent velocity fluctuations, of sound behind noise barriers as a function of the size and spatial location of the eddies. The sound scattering cross-section for QWs of an individual size class (eddy size) is derived and shown to reproduce results for the von Kármán spectrum when the scattered energies from a continuous distribution of QW sizes are combined. A Bragg resonance condition is derived for the eddy size that scatters most strongly for a given acoustic wavenumber and scattering angle. Results for scattering over barriers show that, for typical barrier conditions, most of the scattered energy originates from eddies in the size range of approximately one-half to twice the size of the eddies responsible for maximum scattering. The results also suggest that scattering over the barrier due to eddies with a line of sight to both the source and receiver is generally significant only for frequencies above several kilohertz, for sources and receivers no more than a few meters below the top of the barrier, and for very turbulent atmospheric conditions. 相似文献
98.
C Guéret N Jussien O Lhomme C Pavageau C Prins 《The Journal of the Operational Research Society》2003,54(5):458-465
In this paper, we describe an aircraft loading problem submitted by the French military agency (DGA) as part of a more general military airlift planning problem. It can be viewed as a kind of bi-dimensional bin-packing problem, with heterogeneous bins and several additional constraints. We introduce two-phase methods for solving this NP-hard problem. The first phase consists in building good initial solutions, thanks to two fast algorithms: a list-based heuristic and a loading pattern generation method. Both algorithms call a constraint-based subroutine, able to determine quickly if the items already loaded can be reshuffled to accommodate a new object. The second phase improves these preliminary solutions using local search techniques. Results obtained on real data sets are presented. 相似文献
99.
F. Grunewald B. Kunyavskii D. Nikolova E. Plotkin 《Journal of Mathematical Sciences》2003,116(1):2972-2981
We study two-variable Engel-like relations and identities characterizing finite-dimensional solvable Lie algebras and, conjecturally, finite solvable groups and introduce some invariants of finite groups associated with such relations. Bibliography: 29 titles. 相似文献
100.
F. Trani G. Cantele D. Ninno G. Iadonisi 《Physica E: Low-dimensional Systems and Nanostructures》2004,22(4):808-814
In this paper we report on tight-binding calculations of lowest unoccupied molecular orbitals states for silicon ellipsoidal nanocrystals. The electronic structure has been calculated for different nanocrystal shapes either keeping constant or varying the number of silicon atoms. We have found that changing the ellipsoid aspect ratio a non-obvious energy level structure is obtained. The implications for the infrared optical transitions and their relationship with the polarization of the radiation involved are discussed. 相似文献