High-dimensional model representations generated from low order terms--lp-RS-HDMR

High-dimensional model representation (HDMR) is a general set of quantitative model assessment and analysis tools for improving the efficiency of deducing high dimensional input-output system behavior. RS-HDMR is a particular form of HDMR based on random sampling (RS) of the input variables. The component functions in an HDMR expansion are optimal choices tailored to the n-variate function f(x) being represented over the desired domain of the n-dimensional vector x. The high-order terms (usually larger than second order, or equivalently beyond cooperativity between pairs of variables) in the expansion are often negligible. When it is necessary to go beyond the first and the second order RS-HDMR, this article introduces a modified low-order term product (lp)-RS-HDMR method to approximately represent the high-order RS-HDMR component functions as products of low-order functions. Using this method the high-order truncated RS-HDMR expansions may be constructed without directly computing the original high-order terms. The mathematical foundations of lp-RS-HDMR are presented along with an illustration of its utility in an atmospheric chemical kinetics model.     

On Euler characteristic of equivariant sheaves

Let k be an algebraically closed field of characteristic p>0 and let ? be another prime number. Gabber and Looser proved that for any algebraic torus T over k and any perverse ?-adic sheaf on T the Euler characteristic is non-negative.We conjecture that the same result holds for any perverse sheaf on a reductive group G over k which is equivariant with respect to the adjoint action. We prove the conjecture when is obtained by Goresky-MacPherson extension from the set of regular semi-simple elements in G. From this we deduce that the conjecture holds for G of semi-simple rank 1.     

New phosphonium salts based on 3-(diphenylphosphino)propanoic and ω-haloalkanoic acids

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Deformation Quantization of Algebraic Varieties

The paper is devoted to peculiarities of the deformation quantization in the algebro-geometric context. A direct application of the formality theorem to an algebraic Poisson manifold gives a canonical sheaf of categories deforming coherent sheaves. The global category is very degenerate in general. Thus, we introduce a new notion of a semiformal deformation, a replacement in algebraic geometry of an actual deformation (versus a formal one). Deformed algebras obtained by semiformal deformations are Noetherian and have polynomial growth. We propose constructions of semiformal quantizations of projective and affine algebraic Poisson manifolds satisfying certain natural geometric conditions. Projective symplectic manifolds (e.g. K3 surfaces and Abelian varieties) do not satisfy our conditions, but projective spaces with quadratic Poisson brackets and Poisson–Lie groups can be semiformally quantized.     

ChemInform Abstract: A New n = 4 Layered Ruddlesden—Popper Phase K2.5Bi2.5Ti4O13 Showing Stoichiometric Hydration.

Polycrystalline K_2.5Bi_2.5Ti₄O₁₃ (I) is prepared by solid state reaction of KNO₃, Bi₂O₃, and TiO₂ (Al₂O₃ crucible, 750 °C, 16 h).     

ChemInform Abstract: YCa3(CrO)3(BO3)4: A Cr3+ Kagome Lattice Compound Showing No Magnetic Order Down to 2 K.

Polycrystalline gaudefroyite‐type YCa₃(CrO)₃(BO₃)₄ with Cr³⁺ ions (3d³, S = 3/2) forming an undistorted Kagome lattice is prepared by reaction of a stoichiometric mixture of Y₂O₃, CaCO₃, Cr₂O₃, H₃BO₃ in a KCl flux (Al₂O₃ crucible, 1000 °C, 1 d) followed by re‐grinding and further annealing (1000 °C, 2 d, 95% yield).     

Femtosecond midinfrared study of aggregation behavior in aqueous solutions of amphiphilic molecules

We study the spectral and orientational dynamics of HDO molecules in aqueous solutions of different concentrations of tertiary butyl alcohol (TBA) and trimethylamine-N-oxide (TMAO). The spectral dynamics is investigated with femtosecond two-dimensional infrared spectroscopy of the O-H stretch vibration of HDO:D(2)O, and the orientational dynamics is studied with femtosecond polarization-resolved pump-probe spectroscopy of the O-D stretch vibration of HDO:H(2)O. Both the spectral and orientational dynamics are observed to show bimodal behavior: part of the water molecules shows spectral and orientational dynamics similar to bulk liquid water and part of the water molecules displays a much slower dynamics. For low solute concentrations, the latter fraction of slow water increases linearly as a function of solute molality, indicating that the slow water is contained in the solvation shells of TBA and TMAO. At higher concentrations, the fraction of slow water saturates. The saturation behavior is much stronger for TBA solutions than for TMAO solutions, indicating the aggregation of the TBA molecules.