277 research outputs found
Classification of the line-soliton solutions of KPII
In the previous papers (notably, Y. Kodama, J. Phys. A 37, 11169-11190
(2004), and G. Biondini and S. Chakravarty, J. Math. Phys. 47 033514 (2006)),
we found a large variety of line-soliton solutions of the
Kadomtsev-Petviashvili II (KPII) equation. The line-soliton solutions are
solitary waves which decay exponentially in -plane except along certain
rays. In this paper, we show that those solutions are classified by asymptotic
information of the solution as . Our study then unravels some
interesting relations between the line-soliton classification scheme and
classical results in the theory of permutations.Comment: 30 page
Semiempirical Hartree-Fock calculations for KNbO3
In applying the semiempirical intermediate neglect of differential overlap
(INDO) method based on the Hartree-Fock formalism to a cubic perovskite-based
ferroelectric material KNbO3, it was demonstrated that the accuracy of the
method is sufficient for adequately describing the small energy differences
related to the ferroelectric instability. The choice of INDO parameters has
been done for a system containing Nb. Based on the parametrization proposed,
the electronic structure, equilibrium ground state structure of the
orthorhombic and rhombohedral phases, and Gamma-TO phonon frequencies in cubic
and rhombohedral phases of KNbO3 were calculated and found to be in good
agreement with the experimental data and with the first-principles calculations
available.Comment: 7 pages, 2 Postscript figures, uses psfig.tex. To be published in
Phys.Rev.B 54, No.4 (1996
Congestion management with aggregated delivery of flexibility using distributed energy resources
Increasing penetrations of small scale electricity generation and storage technologies are making an important contribution to the decentralisation and decarbonisation of power system control and operation. Although not currently realised, coordination of local distributed energy resources (DERs) and a greater degree of demand flexibility through digital aggregation, offer the potential to lower the cost of energy at source and to enable remuneration for consumer participation, addressing the rising costs of energy supply, which impacts strongly on all consumers. Methods are required to manage potential distribution network constraints caused by flexible DERs, as well as for determining the risk to delivery of flexibility from these DERs for aggregators. A heuristic network flexibility dispatch methodology is proposed, which can be used to calculate the probability of constraints, and any required adjustments of flexible agent positions to resolve them, at half hourly resolution. The aggregator can use this methodology to manage their portfolio risk, while a distribution system operator can estimate required flexibility to manage constraints down to low voltage level
KP solitons in shallow water
The main purpose of the paper is to provide a survey of our recent studies on
soliton solutions of the Kadomtsev-Petviashvili (KP) equation. The
classification is based on the far-field patterns of the solutions which
consist of a finite number of line-solitons. Each soliton solution is then
defined by a point of the totally non-negative Grassmann variety which can be
parametrized by a unique derangement of the symmetric group of permutations.
Our study also includes certain numerical stability problems of those soliton
solutions. Numerical simulations of the initial value problems indicate that
certain class of initial waves asymptotically approach to these exact solutions
of the KP equation. We then discuss an application of our theory to the Mach
reflection problem in shallow water. This problem describes the resonant
interaction of solitary waves appearing in the reflection of an obliquely
incident wave onto a vertical wall, and it predicts an extra-ordinary four-fold
amplification of the wave at the wall. There are several numerical studies
confirming the prediction, but all indicate disagreements with the KP theory.
Contrary to those previous numerical studies, we find that the KP theory
actually provides an excellent model to describe the Mach reflection phenomena
when the higher order corrections are included to the quasi-two dimensional
approximation. We also present laboratory experiments of the Mach reflection
recently carried out by Yeh and his colleagues, and show how precisely the KP
theory predicts this wave behavior.Comment: 50 pages, 25 figure
Electronic structure of Co_xTiSe_2 and Cr_xTiSe_2
The results of investigations of intercalated compounds Cr_xTiSe_2 and
Co_xTiSe_2 by X-ray photoelectron spectroscopy (XPS) and X-ray emission
spectroscopy (XES) are presented. The data obtained are compared with
theoretical results of spin-polarized band structure calculations. A good
agreement between theoretical and experimental data for the electronic
structure of the investigated materials has been observed. The interplay
between the M3d--Ti3d hybridization (M=Cr, Co) and the magnetic moment at the M
site is discussed. A 0.9 eV large splitting of the core Cr2p{3/2} level was
observed, which reveals a strong exchange magnetic interaction of 3d-2p
electrons of Cr. In the case of a strong localization of the Cr3d electrons
(for x<0.25), the broadening of the CrL spectra into the region of the states
above the nominal Fermi level was observed and attributed to X-ray re-emission.
The measured kinetic properties are in good accordance with spectral
investigations and band calculation results.Comment: 14 pages, 11 figures, submitted to Phys.Rev.
Applications of the generalized gradient approximation to ferroelectric perovskites
The Perdew-Burke-Ernzerhof generalized gradient approximation to the density
functional theory is tested with respect to sensitivity to the choice of the
value of the parameter , which is associated to the degree of
localization of the exchange-correlation hole. A study of structural and
dynamical properties of four selected ferroelectric perovskites is presented.
The originally proposed value of =0.804 %(best suited for atoms and
molecules) works well for some solids, whereas for the ABO perovskites it
must be decreased in order to predict equilibrium lattice parameters in good
agreement with experiments. The effects on the structural instabilities and
zone center phonon modes are examined. The need of varying from one
system to another reflects the fact that the localization of the
exchange-correlation hole is system dependent, and the sensitivity of the
structural properties to its actual value illustrates the necessity of finding
a universal function for .Comment: 15 pages, 2 figures, PRB in pres
Shear Viscosity of the outer crust of Neutron stars: Ion Contribution
The shear viscosity of the crust might have a damping effect on the amplitude
of r-modes of rotating neutron stars. This damping has implications for the
emission of gravitational waves. We calculate the contribution to the shear
viscosity coming from the ions using both semi-analytical methods, that
consider binary collisions, and Molecular Dynamics simulations. We compare
these results with the contribution coming from electrons. We study how the
shear viscosity depends on density for conditions of interest in neutron star
envelopes and outer crusts. In the low density limit, we find good agreement
between results of our molecular dynamics simulations and classical
semi-analytic calculations.Comment: 13 pages, 14 figures, Subsection adde
Application of a 2D Molybdenum Telluride in SERS Detection of Biorelevant Molecules
Two-dimensional (2D) transition-metal dichalcogenides have become promising candidates for surface-enhanced Raman spectroscopy (SERS), but currently very few examples of detection of relevant molecules are available. Herein, we show the detection of the lipophilic disease marker beta-sitosterol on few-layered MoTe2 films. The chemical vapor deposition (CVD)-grown films are capable of nanomolar detection, exceeding the performance of alternative noble-metal surfaces. We confirm that the enhancement occurs through the chemical enhancement (CE) mechanism via formation of a surface-analyte complex, which leads to an enhancement factor of approximate to 10(4), as confirmed by Fourier transform infrared (FTIR), UV-vis, and cyclic voltammetry (CV) analyses and density functional theory (DFT) calculations. Low values of signal deviation over a seven-layered MoTe2 film confirms the homogeneity and reproducibility of the results in comparison to noble-metal substrate analogues. Furthermore, beta-sitosterol detection within cell culture media, a minimal loss of signal over 50 days, and the opportunity for sensor regeneration suggest that MoTe2 can become a promising new SERS platform for biosensing.Peer reviewe
Preparation and X-ray structure of 2-iodoxybenzenesulfonic acid (IBS) - a powerful hypervalent iodine(V) oxidant
The selective preparation of 2-iodoxybenzenesulfonic acid (IBS, as potassium or sodium salts) by oxidation of sodium 2-iodobenzenesulfonate with Oxone or sodium periodate in water is reported. The single crystal X-ray diffraction analysis reveals a complex polymeric structure consisting of three units of IBS as potassium salt and one unit of 2-iodoxybenzenesulfonic acid linked together by relatively strong I=O···I intermolecular interactions. Furthermore, a new method for the preparation of the reduced form of IBS, 2-iodosylbenzenesulfonic acid, by using periodic acid as an oxidant, has been developed. It has been demonstrated that the oxidation of free 2-iodobenzenesulfonic acid under acidic conditions affords an iodine(III) heterocycle (2-iodosylbenzenesulfonic acid), while the oxidation of sodium 2-iodobenzenesulfonate in neutral aqueous solution gives the iodine(V) products
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