Perturbation analysis and optimization of queueing networks

A new time-domain-based approach is developed in this paper for the perturbation analysis of queueing networks. We show that, by observing a single sample path realization of the network trajectory, we can derive sensitivity information of the throughput of the system with respect to various parameters. This information can then be used for the optimization of queueing networks. Numerous experiments as well as analytical results demonstrating the validity of this new approach are given and discussed.     

Complex-scaling treatment for high-lying doubly excited resonances for screened Coulomb helium atom

This work presents an investigation on the doubly excited ¹S ^e autoionizing states of screened helium atom lying below the n = 4 threshold of the He⁺ ion. The potential generated in this system is represented by a Yukawa type potential. We have employed complex-coordinate rotation method, as it is a powerful scheme to study high lying resonances. Hylleraas type wave function is used to consider the correlation effect between all the charged particles. Our resonance parameters for the resonances lying below the He⁺ (n = 2) threshold agree well with those of the existing calculations by using the stabilization method. Resonances associated with higher thresholds are new calculations. All the present results are well converged with basis length N = 444.     

NMR and inelastic incoherent neutron scattering (IINS) studies of monohydroxy-17 and -21-substituted derivatives of progesterone

Internal dynamics of 17- and 21-substituted progesterone derivatives was studied by the methods NMR, inelastic incoherent neutron scattering (IINS) and quantum chemical calculations. Comparison of the computer simulation of the phonon density of states (PDS) spectrum performed by the density functional theory (DFT) method with the spectrum obtained after a transformation of the experimental results permits an interpretation of subsequent modes. Only for 17OH prg the second moment of NMR line decreases to 10 G2 near room temperature, most probably because of the oscillations about direction of inter-molecular hydrogen bond. Significant mobility of protons in this compound is also confirmed by a low intensity of the elastic peak in INS and broadening of this spectrum.     

Oscillator strengths and polarizabilities of the hot-dense plasma-embedded helium atom

The effect of weakly coupled hot plasma environment on the oscillator strengths of the ultraviolet and visible series and the polarizabilities of helium has been investigated using variational highly correlated wave functions within the non-relativistic framework. The Debye shielding approach that admits a variety of plasma conditions is used to simulate the plasma effects. For each shielding parameter, dipole oscillator strengths are calculated for the 1 ¹S-n¹P (n=2, 3), 2 ¹S-2 ¹P, 2 ³S-n³P (n=2, 3) and 2 ^1,3P-n^1,3D (n=3, 4) transitions. The dipole and quadrupole polarizabilities for the ground He (1s²¹S) state are also reported for each screening parameter. Results obtained are useful in plasma diagnostic purposes besides several other applications.     

Vapoluminescent Behavior and the Single-Crystal-to-Single-Crystal Transformations of Chloroform Solvates of [Au2(μ-1,2-bis(diphenylarsino)ethane)2](AsF6)2

The mono- and di-chloroform solvates of [Au₂(μ-1,2-bis(diphenylarsino)ethane)₂](AsF₆)₂ undergo single-crystal-to-single-crystal transformations that result in gain (over 12 hours) or slow loss (over five years) of only one chloroform molecule. The change in solvation results in changes in the structure and luminescence of the digold cation. The cation consists of a pair of slightly bent As-Au-As units that are connected through the two bridging dpae ligands and by aurophilic interactions with Au⋅⋅⋅Au contacts of 3.05152(15) Å in the disolvate or 2.9570(5) Å in the monosolvate.     

Stoichiometry-Controlled Synthesis of Nanoparticulate Mixed-Metal Oxyhydroxide Oxygen Evolving Catalysts by Electrochemistry in Aqueous Nanodroplets

Mixed-metal oxyhydroxides—especially those of Ni and Fe—are one of the most active classes of materials known for catalyzing the oxygen evolution reaction (OER). Here, nanoparticulate mixed metal oxyhydroxides (of Ni, Fe, and Co) were prepared on an electrode surface by electrochemical reaction of a precursor solution encapsulated in aqueous nanodroplets (AnDs), with each of the droplets containing 10 s of attoliters of fluid. Electrode reactions and synthesis can be monitored in situ by electrochemistry as single AnD stochastically lands and interacts with the working electrode. Resultant metal oxyhydroxide nanoparticles can be size and composition controlled precisely by modulating the precursor solution stored in the AnD. Nanoparticulate metal oxyhydroxides were implemented as catalysts for the OER and exhibited superior catalysis compared to their thin-film counterparts, demonstrating a hundred-thousand-fold enhancement in atom efficiency at comparable turnover rates.     

Support vector machine via nonlinear rescaling method

In this paper we construct the linear support vector machine (SVM) based on the nonlinear rescaling (NR) methodology (see [Polyak in Math Program 54:177–222, 1992; Polyak in Math Program Ser A 92:197–235, 2002; Polyak and Teboulle in Math Program 76:265–284, 1997] and references therein). The formulation of the linear SVM based on the NR method leads to an algorithm which reduces the number of support vectors without compromising the classification performance compared to the linear soft-margin SVM formulation. The NR algorithm computes both the primal and the dual approximation at each step. The dual variables associated with the given data-set provide important information about each data point and play the key role in selecting the set of support vectors. Experimental results on ten benchmark classification problems show that the NR formulation is feasible. The quality of discrimination, in most instances, is comparable to the linear soft-margin SVM while the number of support vectors in several instances were substantially reduced.     

Doubly Excited <Superscript>1,3</Superscript><Emphasis Type="Italic">P</Emphasis><Superscript>e</Superscript> Resonance States of the Positronium Negative Ion with Coulomb and Screened Coulomb Potentials

We have investigated the doubly excited ^1,3 P ^e resonance states of positronium negative ion with Coulomb and screened Coulomb potentials using highly accurate correlated exponential wavefunctions. For Coulomb interaction, the stabilization and the complex-rotation methods are employed to extract resonance parameters (resonance positions and widths). We have obtained two ¹ P ^e resonances and three ³ P ^e resonances below the n = 3 Ps threshold. In addition to Feshbach resonances lying below n = 3 Ps threshold, we have calculated one ³ P ^e shape resonances lying above the Ps (n = 2) threshold. For screened Coulomb (Yukawa) interaction, we employ the stabilization method to extract resonance parameters as functions screening parameter. The resonance energies and widths for ^1,3 P ^e resonance states of Ps⁻ below the n = 3 Ps threshold for different screening parameters ranging from infinity (Coulomb case) to small values are reported, along with the Ps(3S) and Ps(3P) threshold energies. The screened Coulomb results for the ^1,3 P ^e resonance states are reported for the first time in the literature.     

Differentiation between tracks and damages in SSNTD under the atomic force microscope

We have observed three-dimensional sponge-like structures as well as strips of connecting pits on the surface of the LR 115 detector after etching, which can be confused with the small tracks formed after short etching time. We have employed an atomic force microscope (AFM) to study these “damages” as well as genuine alpha tracks for short etching time. It was found that while the track and damage openings could be similar in size and shape, the depths for the damages were consistently smaller. Therefore, the depth of the pits will serve as a clear criterion to differentiate between tracks and other damages. The ability to discriminate between genuine tracks from other damages is most important for etching for short time intervals.