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1.
P.A. Ramachandran 《Numerical Methods for Partial Differential Equations》2006,22(4):831-846
Time‐dependent differential equations can be solved using the concept of method of lines (MOL) together with the boundary element (BE) representation for the spatial linear part of the equation. The BE method alleviates the need for spatial discretization and casts the problem in an integral format. Hence errors associated with the numerical approximation of the spatial derivatives are totally eliminated. An element level local cubic approximation is used for the variable at each time step to facilitate the time marching and the nonlinear terms are represented in a semi‐implicit manner by a local linearization at each time step. The accuracy of the method has been illustrated on a number of test problems of engineering significance. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 2006 相似文献
2.
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4.
We present all-atom molecular dynamics simulations ofn-hexane on the basal plane of graphite at monolayer and multilayer coverages. In keeping with experimental data, we find the
presence of ordered adsorbed layers both at single monolayer coverage and when the adsorbed layer coexists with excess liquid
adsorbate. Using a simulation method that does not impose any particular periodicity on the adsorbed layer, we quantitatively
compare our results to the results of neutron diffraction experiments and find a structural transition from a uniaxially incommensurate
lattice to a fully commensurate structure on increasing the coverage from a monolayer to a multilayer. The zig-zag backbone
planes of all the alkane molecules lie parallel to the graphite surface at the multilayer coverage, while a few molecules
are observed to attain the perpendicular orientation at monolayer coverage.
Dedicated to Professor C N R Rao on his 70th birthday 相似文献
5.
S.V.N Bhaskara Rao T.K. Balasubramanian 《Journal of Quantitative Spectroscopy & Radiative Transfer》2004,87(2):203-210
Fresh computations of rovibrational matrix elements of the polarizability α[=(α||+2α⊥)/3] and the polarizability anisotropy γ(=α||−α⊥) of the heteronuclear isotopomers, HD, HT, and DT, of the hydrogen molecule are presented. The computations combine the most accurate polarizability functions α(R) and γ(R) (R being the bond distance) on the one hand and the most accurate adiabatic potential on the other. The calculations are extended to the product operators xα and xγ where x is the centre of mass to centre of charge separation in the heteronuclear species. The latter matrix elements are needed, additionally, for elucidating the absorption intensities of some of the zero-phonon rovibrational transitions peculiar to the heteronuclear species in the crystalline phase. 相似文献
6.
A new approach to identify the independent amplitudes along with their partial wave multipole expansions, for photo-and electro-production
is suggested, which is generally applicable to mesons with arbitrary spin-parity. These amplitudes facilitate direct identification
of different resonance contributions.
相似文献
7.
Vijay Balasubramanian Donald Marolf Moshe Rozali 《General Relativity and Gravitation》2006,38(11):1529-1536
We argue that if black hole entropy arises from a finite number of underlying quantum states, then any particular such state
can be identified from infinity. The finite density of states implies a discrete energy spectrum, and, in general, such spectra
are non-degenerate except as determined by symmetries. Therefore, knowledge of the precise energy, and of other commuting
conserved charges, determines the quantum state. In a gravitating theory, all conserved charges including the energy are given
by boundary terms that can be measured at infinity. Thus, within any theory of quantum gravity, no information can be lost
in black holes with a finite number of states. However, identifying the state of a black hole from infinity requires measurements
with Planck scale precision. Hence observers with insufficient resolution will experience information loss.
First Award in the 2006 Essay Competition of the Gravity Research Foundation. 相似文献
8.
The Ni(II) ion catalyzed thermal decomposition of peroxomonosulfate (PMS) was studied in the pH range 3.42–5.89. The rate is first order in [PMS] and Ni(II) ion concentrations. At pH greater than or equal to 5.23, the reaction becomes zero order in [PMS] and this changeover in the order of the reaction occurs at a higher concentration of nickel ions. The first‐order kinetics in PMS can be explained as a rate‐limiting step and is the transformation of nickel peroxomonosulfate into nickel peroxide. This peroxide intermediate reacts rapidly with another PMS to give oxygen and Ni(II). The formation of nickel peroxide is associated with a small negative or nearly zero entropy of activation. The zero‐order kinetics in [PMS] can be explained by the fact that the hydrolysis of aquated nickel(II) ions into hydroxocompounds is the rate‐limiting step. The turnover number is 2 at pH 3.42 and increases with pH. © 2007 Wiley Periodicals, Inc. Int J Chem Kinet 39: 320–237, 2007 相似文献
9.
IR and Raman spectra of (NH4)3ZnCl5 have been recorded. The observed spectra have been analysed on the basis of the vibrations of ZnCl
4
2−
and NH
4
+
ions. The appearance of multiple Raman bands indicates the presence of two different types of ammonium ions. The effect of
anisotropic crystalline field over the ZnCl4 and NH4 tetrahedra is also discussed. The assignment of internal modes has been verified by the potential energy distribution calculations. 相似文献
10.
We have carried out some photon interaction measurements using 59.54 keV γ-rays from a 241Am source. These include γ attenuation studies as well as photoelectric absorption studies in various samples. The attenuation
studies have been made using leaf and wood samples, samples like sand, sugar etc., which contain particles of varying sizes
as well as pellets and aqueous solutions of rare earth compounds. In the case of the leaf and wood samples, we have used the
γ-ray attenuation technique for the determination of the water content in fresh and dried samples. The variation of the attenuation
coefficient with particle size has been investigated for sand and sugar samples. The attenuation studies as well as the photoelectric
studies in the case of rare earth elements have been carried out on samples containing such elements whose K-absorption edge
energies lie below and close to the γ-energy used. Suitable compounds of the rare earth elements have been chosen as mixture
absorbers in these investigations. A narrow beam good geometry set-up was used for the attenuation measurements. A well-shielded
scattering geometry was used for the photoelectric measurements. The mixture rule was invoked to extract the values of the
mass attenuation coefficients for the elements from those of the corresponding compounds. The results are consistent with
theoretical values derived from the XCOM package. 相似文献