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At least 451 records · Page 25

Use of Covariance Matrices in a Consistent (Multiscale) Data Assimilation for Improvement of Basic Nuclear Parameters in Nuclear Reactor Applications: from Meters to Femtometers

A new approach is proposed, the consistent data assimilation, that allows to link the integral data experiment results to basic nuclear parameters employed by evaluators to generate ENDF/B point energy files in order to improve them. A practical example is provided where the sodium neutron propagation experiments, EURACOS and JANUS-8, are used to improve via modifications of {sup 23}Na nuclear parameters (like scattering radius, resonance parameters, Optical model parameters, Statistical Hauser-Feshbach model parameters, and Preequilibrium Exciton model parameters) the agreement of calculation versus experiments for a series of measured reaction rate detectors slopes. Future work involves comparison of results against a more traditional multigroup adjustments, and extension to other isotope of interest in the reactor community as {sup 56}Fe, actinides, and fission products.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Least-Squares Data Adjustment with Rank-Deficient Data Covariance Matrices

A derivation of the linear least-squares adjustment formulae is required that avoids the assumption that the covariance matrix of prior parameters can be inverted. Possible proofs are of several kinds, including: (i) extension of standard results for the linear regression formulae, and (ii) minimization by differentiation of a quadratic form of the deviations in parameters and responses. In this paper, the least-squares adjustment equations are derived in both these ways, while explicitly assuming that the covariance matrix of prior parameters is singular. It will be proved that the solutions are unique and that, contrary to statements that have appeared in the literature, the least-squares adjustment problem is not ill-posed. No modification is required to the adjustment formulae that have been used in the past in the case of a singular covariance matrix for the priors. In conclusion: The linear least-squares adjustment formula that has been used in the past is valid in the case of a singular covariance matrix for the covariance matrix of prior parameters. Furthermore, it provides a unique solution. Statements in the literature, to the effect that the problem is ill-posed are wrong. No regularization of the problem is required. This has been proved in the present paper by two methods, while explicitly assuming that the covariance matrix of prior parameters is singular: i) extension of standard results for the linear regression formulae, and (ii) minimization by differentiation of a quadratic form of the deviations in parameters and responses. No modification is needed to the adjustment formulae that have been used in the past. (author)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Synthesis and Characterization of Non-Aqueous [Tc X M-PW11O39] n – with M = O, N: Comparing Tc V and Tc VI in Metal Oxide Matrices

Technetium-99, a prevalent by-product of the nuclear fuel cycle, is a transition metal with 9 accessible oxidation states and a half-life of 2.1 × 10 5 years. 99 Tc VII has been found in the environment surrounding National Lab sites and fuel reprocessing centers, and its separation and long-term storage is complicated by its extensive redox chemistry. In our prior work we have reported the synthesis and reduction of Tc V O to Tc IV O in α 1- and α 2 -Wells–Dawson P 2 W 17 O 61 10- polyoxometalates and reported on the polyoxometalate features that promote reduction and stabilization. In this work we report on the oxidation state stabilization of Tc V O, Tc VI O and Tc VI N within the α-Keggin PW 11 O 39 7- polyoxometalate. Both Density Functional Theory and experimental results show that Tc in TBA 4 [Tc VI N-PW 11 O 39 ] can be reduced to TcV, but any subsequent electrons reduce the tungsten framework of the polyoxometalate. TBA 4 [Tc V O-PW 11 O 39 ] however, can be theoretically reduced down to Tc(I) before reduction of the polyoxometalate occurs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Boron nitride nanotubes and nanoplatelets as reinforcing agents of polymeric matrices for bone tissue engineering

Abstract This study investigates the mechanical properties and in vitro cytotoxicity of one‐ and two‐dimensional boron nitride nanomaterials‐reinforced biodegradable polymeric nanocomposites. Poly(propylene fumarate) (PPF) nanocomposites were fabricated using crosslinking agent N ‐vinyl pyrrolidone and inorganic nanomaterials: boron nitride nanotubes (BNNTs) and boron nitride nanoplatelets (BNNPs) dispersed at 0.2 wt % in the polymeric matrix. The incorporation of BNNPs and BNNTs resulted in a ∼38 and ∼15% increase in compressive (Young's) modulus, and ∼31 and ∼6% increase in compressive yield strength compared to PPF control, respectively. The nanocomposites showed a time‐dependent increased protein adsorption for collagen I protein. The cytotoxicity evaluation of aqueous BNNT and BNNP dispersions (at 1–100 μg/mL concentrations) using murine MC3T3 preosteoblast cells showed ∼73–99% viability. The cytotoxicity evaluation of media extracts of nanocomposites before crosslinking, after crosslinking, and upon degradation (using 1×–100× dilutions) showed dose‐dependent cytotoxicity responses. Crosslinked nanocomposites showed excellent (∼79–100%) cell viability, cellular attachment (∼57–67%), and spreading similar to cells grown on the surface of tissue culture polystyrene control. The media extracts of degradation products showed a dose‐dependent cytotoxicity. The favorable cytocompatibility results in combination with improved mechanical properties of BNNT and BNNP nanocomposites opens new avenues for further in vitro and in vivo safety and efficacy studies towards bone tissue engineering applications. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 406–419, 2017.

Farshid, Behzad↗

Calabi-Yau CFTs and random matrices

Using numerical methods for finding Ricci-flat metrics, we explore the spectrum of local operators in two-dimensional conformal field theories defined by sigma models on Calabi-Yau targets at large volume. Focusing on the examples of K3 and the quintic, we show that the spectrum, averaged over a region in complex structure moduli space, possesses the same statistical properties as the Gaussian orthogonal ensemble of random matrix theory.

superstring vacua↗

Chaos and random matrices in supersymmetric SYK

We use random matrix theory to explore late-time chaos in supersymmetric quantum mechanical systems. Motivated by the recent study of supersymmetric SYK models and their random matrix classification, we consider the Wishart-Laguerre unitary ensemble and compute the spectral form factors and frame potentials to quantify chaos and randomness. Compared to the Gaussian ensembles, we observe the absence of a dip regime in the form factor and a slower approach to Haar-random dynamics. Here we find agreement between our random matrix analysis and predictions from the supersymmetric SYK model, and discuss the implications for supersymmetric chaotic systems.

2D Gravity↗

Operator bases, S-matrices, and their partition functions

Relativistic quantum systems that admit scattering experiments are quantitatively described by effective field theories, where S-matrix kinematics and symmetry considerations are encoded in the operator spectrum of the EFT. Here in this paper we use the S-matrix to derive the structure of the EFT operator basis, providing complementary descriptions in (i) position space utilizing the conformal algebra and cohomology and (ii) momentum space via an algebraic formulation in terms of a ring of momenta with kinematics implemented as an ideal. These frameworks systematically handle redundancies associated with equations of motion (on-shell) and integration by parts (momentum conservation). We introduce a partition function, termed the Hilbert series, to enumerate the operator basis — correspondingly, the S-matrix — and derive a matrix integral expression to compute the Hilbert series. The expression is general, easily applied in any spacetime dimension, with arbitrary field content and (linearly realized) symmetries. In addition to counting, we discuss construction of the basis. Simple algorithms follow from the algebraic formulation in momentum space. We explicitly compute the basis for operators involving up to n = 5 scalar fields. This construction universally applies to fields with spin, since the operator basis for scalars encodes the momentum dependence of n-point amplitudes. We discuss in detail the operator basis for non-linearly realized symmetries. In the presence of massless particles, there is freedom to impose additional structure on the S- matrix in the form of soft limits. The most naÏve implementation for massless scalars leads to the operator basis for pions, which we confirm using the standard CCWZ formulation for non-linear realizations. Finally, although primarily discussed in the language of EFT, some of our results — conceptual and quantitative — may be of broader use in studying conformal field theories as well as the AdS/CFT correspondence.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Chaos, complexity, and random matrices

Chaos and complexity entail an entropic and computational obstruction to describing a system, and thus are intrinsically difficult to characterize. In this paper, we consider time evolution by Gaussian Unitary Ensemble (GUE) Hamiltonians and analytically compute out-of-time-ordered correlation functions (OTOCs) and frame potentials to quantify scrambling, Haar-randomness, and circuit complexity. While our random matrix analysis gives a qualitatively correct prediction of the late-time behavior of chaotic systems, we find unphysical behavior at early times including an O(1) scrambling time and the apparent breakdown of spatial and temporal locality. The salient feature of GUE Hamiltonians which gives us computational traction is the Haar-invariance of the ensemble, meaning that the ensemble-averaged dynamics look the same in any basis. Motivated by this property of the GUE, we introduce k-invariance as a precise definition of what it means for the dynamics of a quantum system to be described by random matrix theory. Here,we envision that the dynamical onset of approximate k-invariance will be a useful tool for capturing the transition from early-time chaos, as seen by OTOCs, to late-time chaos, as seen by random matrix theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Landau diagrams in AdS and S-matrices from conformal correlators

Quantum field theories in AdS generate conformal correlation functions on the boundary, and in the limit where AdS is nearly flat one should be able to extract an S-matrix from such correlators. We discuss a particularly simple position-space procedure to do so. It features a direct map from boundary positions to (on-shell) momenta and thereby relates cross ratios to Mandelstam invariants. This recipe succeeds in several examples, includes the momentum-conserving delta functions, and can be shown to imply the two proposals in based on Mellin space and on the OPE data. Interestingly the procedure does not always work: the Landau singularities of a Feynman diagram are shown to be part of larger regions, to be called ‘bad regions’, where the flat-space limit of the Witten diagram diverges. To capture these divergences we introduce the notion of Landau diagrams in AdS. As in flat space, these describe on-shell particles propagating over large distances in a complexified space, with a form of momentum conservation holding at each bulk vertex. As an application we recover the anomalous threshold of the four-point triangle diagram at the boundary of a bad region.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Leaching of Degraded Preservative Matrices, Based on Sodium Aluminophosphate Glasses, for High-Level Wastes

The chemical stability of vitrified high-level nuclear industry wastes in contact with water was studied experimentally in application to underground disposal of the wastes. The experiments were performed on samples of sodium aluminophosphate glass used in industrial solidification of wastes. Stable isotopes of strontium, cesium, uranium, and rare-earth elements as geochemical analogs of actinides were introduced into the glass to simulate radionuclides. It was observed that water vapor affects the degradation of the glass when vitrified wastes are placed in temporary repositories. It is shown that as a result of the degradation the rate of leaching of the glass in water increases significantly. In addition, a substantial portion of radionuclide simulators in colloidal form goes into the water medium.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Compact representations of structured BFGS matrices

For general large-scale optimization problems compact representations exist in which recursive quasi-Newton update formulas are represented as compact matrix factorizations. For problems in which the objective function contains additional structure, recent structured quasi-Newton methods exploit available second-derivative information and approximate unavailable second derivatives. Here, this article develops the compact representations of two structured Broyden-Fletcher-Goldfarb-Shanno update formulas. The compact representations enable efficient limited memory and initialization strategies. Two limited memory line search algorithms are described for which extensive numerical results demonstrate the efficacy of the algorithms, including comparisons to IPOPT on large machine learning problems, and to L-BFGS on a real world large scale ptychographic imaging application.

97 MATHEMATICS AND COMPUTING↗

Preparation and Determination of Antimicrobial Property of Cation-Exchanged Ecuadorian Natural Zeolite to be Used as Filler for Polyethylene and Polypropylene Matrices

Zeolites are crystalline aluminosilicates with nanoporous structure, tasteless and non-toxic materials. In this study, silver ion-exchanged zeolite, which was prepared from the natural Ecuadorian zeolites was used as reinforcement material in low-density polyethylene (LDPE) and polypropylene (PP). Polymers were filled with 1, 2 and 3 wt% concentrations of natural zeolite (Z) and silver ion exchanged zeolite (ZA). Zeolites and composites were characterized by X-ray diffractometry, Fourier transform infrared spectroscopy, scanning electron microscope, thermogravimetric analysis and mechanical analysis techniques. Microbiological analysis of silver ion exchanged zeolite showed effective antibacterial property against Escherichia coli bacteria. PP/ZA composites showed better tensile strengths in all mixes comparing to pure PP. ZAPE2 and ZAPP1 showed the best mechanical properties among all the composites based on polyethylene and PP, respectively. The composites prepared are potential candidates to be used in food packaging, and ZA type zeolites can be used as filler for the preparation of various composites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Semi-Targeted Analysis of Complex Matrices by ESI FT-ICR MS or How an Experimental Bias may be Used as an Analytical Tool

Ammonia is well suited to favor deprotonation process in electrospray ionization mass spectrometry (ESI-MS) to increase the formation of [M – H]{sup –}. Nevertheless, NH{sub 3} may react with carbonyl compounds (aldehyde, ketone) and bias the composition description of the investigated sample. This is of significant importance in the study of complex mixture such as oil or bio-oil. To assess the ability of primary amines to form imines with carbonyl compounds during the ESI-MS process, two aldehydes (vanillin and cinnamaldehyde) and two ketones (butyrophenone and trihydroxyacetophenone) have been infused in an ESI source with ammonia and two different amines (aniline and 3-chloronaniline). The (+) ESI-MS analyses have demonstrated the formation of imine whatever the considered carbonyl compound and the used primary amine, the structure of which was extensively studied by tandem mass spectrometry. Thus, it has been established that the addition of ammonia, in the solution infused in an ESI source, may alter the composition description of a complex mixture and leads to misinterpretations due to the formation of imines. Nevertheless, this experimental bias can be used to identify the carbonyl compounds in a pyrolysis bio-oil. As we demonstrated, infusion of the bio-oil with 3-chloroaniline in ESI source leads to specifically derivatized carbonyl compounds. Thanks to their chlorine isotopic pattern and the high mass measurement accuracy, (+) ESI Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) unambiguously highlighted them from the numerous C{sub x}H{sub y}O{sub z} bio-oil components. These results offer a new perspective into the detailed molecular structure of complex mixtures such as bio-oils. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗