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At least 1,045 records · Page 58

Uncertainty propagation in pore water chemical composition calculation using surrogate models

Performance assessment in deep geological nuclear waste repository systems necessitates an extended knowledge of the pore water chemical conditions prevailing in host-rock formations. In the last two decades, important progress has been made in the experimental characterization and thermodynamic modeling of pore water speciation, but the influence of experimental artifacts and uncertainties of thermodynamic input parameters are seldom evaluated. In this respect, we conducted an uncertainty propagation study in a reference geochemical model describing the pore water chemistry of the Callovian-Oxfordian clay formation. Nineteen model input parameters were perturbed, including those associated to experimental characterization (leached anions, exchanged cations, cation exchange selectivity coefficients) and those associated to generic thermodynamic databases (solubilities). A set of 13 quantities of interest were studied by the use of polynomial chaos expansions built non-intrusively with a least-squares forward stepwise regression approach. Training and validation sets of simulations were carried out using the geochemical speciation code PHREEQC. The statistical results explored the marginal distribution of each quantity of interest, their bivariate correlations as well as their global sensitivity indices. The influence of the assumed distributions for input parameters uncertainties was evaluated by considering two parametric domain sizes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cold Hybrid Star Properties

Properties of neutron stars with quark core are investigated. The equation of state of hadronic matter is calculated using Myers and Swiatecki two nucleon interaction within Thomas-Fermi semiclassical approximation (TF). For quark matter we employ The MIT bag model with constant and density dependent bag parameter. With use of the obtained equation of states we have calculated mass-radius relation of such hybrid stars.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Results on Charmonium(-like) and Bottomonium(-like) States from Belle and BaBar

Spectroscopy results for Belle and BaBar are reported. A particular focus is put on new results of the X(3872) state with its radiative decays to J/{psi}{gamma} and {psi}'{gamma} its decay into J/{psi}3{pi} and the search for production in radiative Upsilon decays. Another focus is L = 2 mesons, in particlar a possible D-wave assignment to the X(3872) and the confirmation of an Upsilon D-wave state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Valence quark contributions for the {gamma}N{yields}P{sub 11}(1440) transition

A covariant spectator quark model is applied to estimate the valence quark contributions to the F{sub 1}{sup *}(Q{sup 2}) and F{sub 2}{sup *}(Q{sup 2}) transition form factors for the {gamma}N{yields}P{sub 11}(1440) reaction. The Roper resonance, P{sub 11}(1440), is assumed to be the first radial excitation of the nucleon. The model requires no extra parameters except for those already fixed by the previous studies for the nucleon. The results are consistent with the experimental data in the high Q{sup 2} region, and those from the lattice QCD. Finally the model is also applied to estimate the meson cloud contributions from the CLAS and MAID analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Light and heavy at the end of the funnel

We show that, by taking a bare mass spectrum with constant spacings for the quark-antiquark propagators, which is subject to considerable mass shifts from meson loops, one adequately describes a large variety of mesonic resonances, from the light scalars to the bb-bar states. All our results indicate that a harmonic-oscilator spectrum with universal frequency, in combination with coupled-channel effects, does a much better job than the qq-bar spectrum of the funnel potential.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

QCD Phase Diagram at Finite Baryon and Isospin Chemical Potentials

The phase structure of two-flavor QCD is explored for finite temperature T and finite baryon- and isospin-chemical potentials, {mu}{sub B} and {mu}{sub I}, by using the Polyakov-loop extended Nambu-Jona-Lasinio (PNJL) model. The PNJL model with the scalar-type eight-quark interaction can reproduce lattice QCD data in the {mu}{sub I}-T plane at {mu}{sub B} = 0. In the {mu}{sub I}-{mu}{sub B}-T space, the critical endpoint of the chiral phase transition in the {mu}{sub B}-T plane at {mu}{sub I} = 0 moves to the tricritical point of the pion-superfluidity phase transition in the {mu}{sub I}-T plane at {mu}{sub B} = 0 as {mu}{sub I} increases.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Entanglement between the Deconfinement and the Chiral Symmetry Restoration

We extend the Polyakov-loop extended Nambu-Jona-Lasinio (PNJL) model by introducing an effective four-quark vertex depending on the Polyakov loop. The effective vertex generates entanglement interactions between the Polyakov loop and the chiral condensate. The new model is consistent with lattice QCD data at imaginary quark-number chemical potential and real and imaginary isospin chemical potentials. We investigate the influence of the entanglement interactions on the location of the critical endpoint at real quark-number chemical potential.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Constraints on Majorana dark matter from a fourth lepton family

We study the possibility of dark matter in the form of heavy neutrinos from a fourth lepton family with helicity suppressed couplings such that dark matter is produced thermally via annihilations in the early Universe. We present all possible constraints for this scenario coming from LHC and collider physics, underground direct detectors, neutrino telescopes, and indirect astrophysical searches. Although we embed the WIMP candidate within a model of composite dynamics, the majority of our results are model independent and applicable to all models where heavy neutrinos with suppressed couplings account for the dark matter abundance.

79 ASTRONOMY AND ASTROPHYSICS↗

DGEBF epoxy blends for use in the resin impregnation of extremely large composite parts

Large superconducting electromagnets used in fusion reactors utilize a large amount of glass/epoxy composite for electrical insulation and mechanical and thermal strengths. Moreover, the manufacture of these magnets involves wrapping each superconducting cable bundle with dry glass cloth followed by the vacuum-assisted resin transfer molding of the entire magnet. Due to their enormous size (more than 100 tons), it requires more than 40 h for resin impregnation and the subsequent pressure cycles to ensure complete impregnation and removal of any trapped air pockets. Diglycidyl ether of bisphenol F epoxy resin cross-linked with methyltetrahydrophthalic anhydride with an accelerator has been shown to be a good candidate for use in composite parts requiring long impregnation cycles. Viscosity, gel time, and glass transition temperature of four resin-blends of diglycidyl ether of bisphenol F resin system were monitored as a function of time and temperature with an objective to find the blend that provides a working window longer than 40h at low viscosity without lowering its glass transition temperature. A resin-blend in the weight ratios of resin:hardener:accelerator=100:82:0.125 is shown to provide more than 60h at low resin viscosity while maintaining the same glass transition temperature as obtained with previously used resin-blends, based on the results.

36 MATERIALS SCIENCE↗

Catalytic and Transport Behaviors of Model and Porous and Composite Nanostructures

As stressed in the Basic Energy Sciences Advisory Committee (BESAC) Report “New Science for a Secure and Sustainable Energy Future” (December 2008), solving our Nation’s energy challenges will entail more than incremental changes in present materials-related technologies; new, advanced routes to nanostructured materials with transformational properties will be required. Herein we describe the design and fabrication of a hybrid biotic/abiotic membrane reactor that, mimicking natural systems, employs the metalloenzyme, carbonic anhydrase, to separate CO 2 from N 2 with unprecedented purity and rate. The membrane design, synthesis, and operation are based on multiple biomimetic and nanoscale fabrication strategies, nanoscale dimensional features, and nanoscale physical phenomena, for example: 1) Bottom-up self-assembly of a membrane comprising a periodic, aligned, cylindrical nanopore array with 8 nm diameter pores designed to accommodate carbonic anhydrase (CA) enzymes 2) Top-down Atomic Layer Deposition (ALD) and plasma processing of the nanopore array to create 18nm deep (by 8nm in diameter) superhydrophilic pores bounded by hydrophobic/superhydrophobic interfaces 3) Formation of a continuous, defect free, ultra-thin (~18-nm thick) but strong water membrane by capillary condensation within the uniformly-sized, superhydrophilic nanopore array 4) Accommodation of CA within the water filled nanopore array (~2 CAs per hydrophilic pore channel) to achieve an effective CA concentration within the 18-nm thick water membrane over 10X greater than achievable in solution Exposed to a mixture of CO 2 and N 2 this biomimetic membrane rapidly and selectively dissolves CO 2 within the CA filled water nano-channels on the ‘upstream side’ and regenerates CO 2 at the superhydrophobic interface on the ‘downstream’ side. In combination, the high CA concentration and exceptionally short diffusion distances enable rapid and highly selective CO 2 separation from N 2 and H 2 . Our membrane has a combined CO 2 flux and selectivity that exceed by orders of magnitude all existing CO 2 membranes and for the first time meet the US Department of Energy guidelines for CO 2 sequestration technologies. (The performance of our membrane was recognized by an R&D100 Award and the first R&D100 Green Technology Award in 2015 and an issued US Patent in 2017). We believe this membrane could be employed in combination with sequestration to help reduce greenhouse gas emissions and provide a viable, economically feasible pathway to achieve the goals of the 2016 Paris Accord, which aims to maintain a global temperature rise this century less than 2°C above pre-industrial levels. Further this membrane concept could be adapted to other enzymes to accomplish other separations of interest, e.g. H 2 . We also have established processing-structure-property relationships of ultrathin membrane-like monolayer materials that are intrinsically catalytic. Establishing processing-structure-property relationships for monolayer materials is crucial for a vast range of applications spanning optics, catalysis, electronics, and energy. Presently, for MoS 2 , a promising catalyst for artificial photosynthesis, considerable debate surrounds the structure/property relationships of its various allotropes. Using high-resolution transmission electron microscopy supported by density functional theory, we unambiguously solved the structure of MoS 2 monolayers and showed lithium intercalation to direct a preferential transformation of the basal plane from 2H (trigonal prismatic) to 1T’ (clustered Mo). These changes alter the energetics of MoS 2 interactions with hydrogen ((GH), and, with respect to catalysis, the 1T’ transformation renders the normally inert basal plane amenable towards hydrogen adsorption and H 2 evolution achieving Hydrogen Evolution Reaction (HER) catalytic activity comparable to 2H MoS 2 edges on Au(111), one of the most active HER catalysts known.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Thermal conductivity of comets

The thermal conductivity of two comet models is calculated. Both models assume the comets to be heterogeneous in composition. One model considers the comet to have a nucleus of water-ice mixed with basaltic and meteoritic material in the form of dust and agglomerated particles surrounded by a layer of water-frost. The second model assumes the frost and water-ice layers have sublimated, leaving a porous structure to some depth composed of solid basaltic and meteoritic material with residual gases. K values are calculated as a function of depth, density, temperature and porosity.

Kumar, G. N.↗