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81.
Empirical potential structure refinements have been made to recent high-energy x-ray diffraction data, providing molecular models of deeply supercooled water. The average O-O coordination number is found to drop from 5.13 at 293?K to 4.85 at 244?K, within 3.5?Å. Triplet O-O-O bond angle distributions reveal a broad peak centred at 96.4° at 293?K which shifts to 100.0° at 244?K, indicative of the local geometry becoming increasingly tetrahedral with decreasing temperature. However, although the number of non-bonded interstitial molecules between the first and second shells is depleted upon cooling, the number of interstitial molecules forming triplets that are embedded within the hydrogen bonded tetrahedral network at θOOO?=?53°, remains constant. This is consistent with previous observations of an invariant O-O coordination number with temperature (4.24 out to 3.3?Å) and corresponds to non-bonded molecules positioned at close to half the ideal tetrahedral angle. Both -O-O-O- and hydrogen-bonded -O-H-O- ring length distributions show increases in 6 and 7-membered rings upon supercooling. This is concomitant with a shift and increase in intensity of peaks at r4 ~8.7?Å and r5 ~10.8?Å in the oxygen-oxygen pair distribution function, which in the models correspond to correlations between adjacent and next-nearest-neighbour hydrogen-bonded rings. 相似文献
82.
M. I. Romero Rodríguez P. Zhevandrov 《Mathematical Methods in the Applied Sciences》2019,42(15):4999-5007
Exact solutions of the linear water‐wave problem describing oblique water waves trapped by a submerged horizontal cylinder of small (but otherwise fairly arbitrary) cross‐section in a two‐layer fluid are constructed in the form of convergent series in powers of the small parameter characterising the “thinness” of the cylinder. The terms of this series are expressed through the solutions of the exterior Neumann problem for the Laplace equation describing the flow of unbounded fluid past the cylinder. 相似文献
83.
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85.
Benjamin Arras Ehsan Azmoodeh Guillaume Poly Yvik Swan 《Stochastic Processes and their Applications》2019,129(7):2341-2375
We provide a bound on a distance between finitely supported elements and general elements of the unit sphere of . We use this bound to estimate the Wasserstein-2 distance between random variables represented by linear combinations of independent random variables. Our results are expressed in terms of a discrepancy measure related to Nourdin–Peccati’s Malliavin–Stein method. The main application is towards the computation of quantitative rates of convergence to elements of the second Wiener chaos. In particular, we explicit these rates for non-central asymptotic of sequences of quadratic forms and the behavior of the generalized Rosenblatt process at extreme critical exponent. 相似文献
86.
J. Chevallier A. Duarte E. Löcherbach G. Ost 《Stochastic Processes and their Applications》2019,129(1):1-27
We consider spatially extended systems of interacting nonlinear Hawkes processes modeling large systems of neurons placed in and study the associated mean field limits. As the total number of neurons tends to infinity, we prove that the evolution of a typical neuron, attached to a given spatial position, can be described by a nonlinear limit differential equation driven by a Poisson random measure. The limit process is described by a neural field equation. As a consequence, we provide a rigorous derivation of the neural field equation based on a thorough mean field analysis. 相似文献
87.
A milestone in probability theory is the law of the iterated logarithm (LIL), proved by Khinchin and independently by Kolmogorov in the 1920s, which asserts that for iid random variables with mean 0 and variance 1 In this paper we prove that LIL holds for various functionals of random graphs and hypergraphs models. We first prove LIL for the number of copies of a fixed subgraph H. Two harder results concern the number of global objects: perfect matchings and Hamiltonian cycles. The main new ingredient in these results is a large deviation bound, which may be of independent interest. For random k‐uniform hypergraphs, we obtain the Central Limit Theorem and LIL for the number of Hamilton cycles. 相似文献
88.
89.
Víctor Leiva 《商业与工业应用随机模型》2019,35(1):133-137
Sam C. Saunders, the son of Elizabeth Cundiff and Winston E. Saunders, was born in Richland, OR, on February 24, 1931. The family moved to La Grande, OR, in 1944, where Sam completed high school and two years at Eastern Oregon College. He then received the BSc degree in Mathematics from the University of Oregon, Eugene, OR, in 1952, and he attended the University of Washington, Seattle, WA, receiving a PhD degree under Z. W. Birnbaum. After graduating, he accepted employment at the Boeing Company in its Mathematical Services Unit and, in 1972, a position as a Full Professor at Washington State University, Pullman, WA, from which he retired in 1996. 相似文献
90.
Dr. Christoph Ludwig Teske Dr. Anna-Lena Hansen Prof. Dr. Richard Weihrich Prof. Dr. Lorenz Kienle Marius Kamp Kasper Pieter van der Zwan Prof. Dr. Jürgen Senker Dr. Carsten Dosche Prof. Dr. Gunther Wittstock Prof. Dr. Wolfgang Bensch 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(27):6763-6772
A new preparation route is developed for the synthesis of needle-like crystals of [Au(S2CNH2)2]SCN, which avoids disproportionation of the AuI salt used as a starting material. In the crystal structure, the two crystallographically independent AuIII centers are in a square-planar environment of two S2CNH2 ligands. The Hirshfeld surface analysis reveals the presence of noncovalent intermolecular S⋅⋅⋅S interactions, which are essential for the spatial arrangement of the molecules. Density functional theory (DFT) calculations including dispersion and damping corrections result in a unit cell volume very close to the value determined experimentally. Thermal decomposition in an inert atmosphere generates black needles with lengths of up to 500 μm. X-ray powder diffraction and pair distribution function analyses demonstrate that the needles are composed of nanosized crystals with a volume-weighted average domain size of 20(1) nm. According to results of X-ray photoemission experiments, the black needles are covered by a nitrogen-rich carbon nitride with composition near (CN)2N. 13C solid-state NMR investigations indicate that two different carbon species are present, with signals corresponding well to heptazine units as in melon and triazine units as in poly(triazin imide) type compounds. Scanning transmission electron microscopy tomography evidences that the needles are composed of slightly elongated nanoparticles. 相似文献