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At least 343 records · Page 19

The 2019 Edition of the ICSBEP Handbook

Over the past several decades, innumerable experiments have been performed worldwide to support criticality safety. These experiments represent significant investment in infrastructure, expertise, and cost, and are valuable resources of data for present and future research. These valuable assets provide the basis for recording, development, and validation of methods and nuclear data [1]. If the experimental data are lost, the high cost to repeat many of these measurements would likely be prohibitive. The International Criticality Safety Benchmark Evaluation Project (ICSBEP) was established to: 1. Identify a comprehensive set of critical benchmark data and, to the extent possible, verify the data; 2. Evaluate the data and quantify overall uncertainties through various types of sensitivity analyses; 3. Compile the data into a standardized format; 4. Perform calculations of each experiment with standard criticality safety codes; and 5. Formally document the work into a single source of verified benchmark critical data. Annually, contributors from around the world continue to collaborate in the evaluation and review of select benchmark experiments for inclusion in the International Handbook of Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook) [2]. Further information regarding the ICSBEP, including highlighted criticality safety benchmark evaluations, can be found in the September and October 2003 editions of Nuclear Science and Engineering [3]. New and recently revised evaluations have been prepared for inclusion in the 2019 edition of the ICSBEP Handbook.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Formation and Detriments of Residual Alkaline Compounds on High-Nickel Layered Oxide Cathodes

High-nickel layered oxides LiNi x M 1-x O 2 (x ≥ 0.9) have emerged as promising cathode materials for automotive batteries due to their high energy density and lower cost. However, the formation and accumulation of surface alkaline compounds during storage hinder their mass production and commercialization. Here, in this study, a validated chemical method is employed to deconvolute and quantify the evolution of each residual lithium compound in four representative cathodes during ambient-air storage, viz., LiNiO 2 (LNO), LiNi 0.95 Co 0.05 O 2 (NC), LiNi 0.95 Mn 0.05 O 2 (NM), and LiNi 0.95 Al 0.05 O 2 (NA). Furthermore, the activation energy of the reaction between water and the cathode is determined by measuring the leached LiOH concentration at various temperatures. While residual lithium and time-of-flight secondary-ion mass spectrometry measurements collectively reveal that the air stability overall follows the trend of NM > NA ≈ NC > LNO, the aged NM exhibits the highest charge-transfer resistance and the worst electrochemical performance among the cathodes. In situ, X-ray diffraction and scanning transmission electron microscopy unveil that the aged NM is plagued by a large area of resistive spinel-like M 3–x Li x O 4 phases, leading to aggravated particle reaction heterogeneity. Finally, a one-step recalcination method is demonstrated effective in fully restoring the degraded cathodes. This work provides insights into overcoming air sensitivity issues of high-Ni cathodes.

(S)TEM↗

Design and Realization of Ohmic and Schottky Interfaces for Oxide Electronics

Understanding band alignment and charge transfer at complex oxide interfaces is critical to tailoring and utilizing their diverse functionality. Toward this goal, both Ohmic- and Schottky-like charge transfers at oxide/oxide semiconductor/metal interfaces are designed and experimentally validated. A method for predicting band alignment and charge transfer in ABO 3 perovskites is utilized, where previously established rules for simple semiconductors fail. The prototypical systems chosen are the rare class of oxide metals, SrBO 3 with B = V–Ta, when interfaced with the multifaceted semiconducting oxide, SrTiO 3 . For B = Nb and Ta, it is confirmed that a large accumulation of charge occurs in SrTiO 3 due to the higher energy Nb and Ta states relative to Ti. Furthermore, this gives rise to a high mobility metallic interface, which is an ideal epitaxial oxide/oxide Ohmic contact. On the contrary, for B = V, there is no charge transfer into the SrTiO 3 interface, which serves as a highly conductive epitaxial gate metal. Going beyond these specific cases, this work opens the door to integrating the vast phenomena of ABO 3 perovskites into a wide range of practical devices.

36 MATERIALS SCIENCE↗

Charge Carrier Lifetime Determination in Graded Absorber Solar Cells Using Time‐Resolved Photoluminescence Simulations and Measurements

Thin‐film photovoltaic device efficiencies are limited by carrier recombination, thus understanding recombination mechanisms is critical for performance improvements. Bulk minority carrier lifetime ( τ bulk ) is a critical parameter for solar cells but is difficult to determine in P–N junction devices, especially for high doping. As doping ≥10 16 cm −3 is required for efficient drift‐charge‐carrier‐collection devices, a method for τ bulk determination in doped P–N junction devices is necessary. This work utilizes time‐resolved photoluminescence (TRPL) simulations to quantify bulk and interface recombination properties in highly doped, graded absorber CdSeTe structures. The two methods developed here for τ bulk determination include utilization of an instantaneous lifetime representation to guide TRPL fitting and direct comparison between measured and simulated decays. Simulations verified that both methods are valid for state‐of‐the‐art device architectures which include graded bandgap absorbers, graded doping, and graded lifetimes. Shifts in the dominant recombination mechanism are identified for sufficiently long τ bulk , where front and back interface quality plays a more prominent role. Evaluation of surface recombination velocities and conduction band offset illustrate electro‐optical advantages of a positive conduction band offset and highlight the necessity of improved interfaces as bulk quality in photovoltaic devices improves.

14 SOLAR ENERGY↗

Estimating Rotor Suspension Parameters from Runout Data

Determining the dynamic characteristics of rotor suspensions is needed to make accurate predictions of rotor behavior. If direct measurements are unavailable, a method for estimating them is needed. This paper describes a method for estimating suspension characteristics from rotor runout data measured by proximity probes in a rotor test stand. Comparison of measured critical speeds with values predicted using the estimated rotor suspension parameters for a test rotor show good agreement, indicating that the method is valid.

Damiano, Brian↗

Search for CP violation in the phase space of D 0 → π⁻π⁺π 0 decays with the energy test

A search for CP violation in D 0 → π - π + π 0 decays is reported, using pp collision data collected by the LHCb experiment from 2015 to 2018 corresponding to an integrated luminosity of 6 fb - 1 . An unbinned model-independent approach provides sensitivity to local CP violation within the two-dimensional phase space of the decay. The method is validated using the Cabibbo-favoured channel D 0 → K - π + π 0 and background regions of the signal mode. The results are consistent with CP symmetry in this decay.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Inclusive search for highly boosted Higgs bosons decaying to bottom quark-antiquark pairs in proton-proton collisions at $\sqrt{s} =$ 13 TeV

A search for standard model Higgs bosons (H) produced with transverse momentum (p$_{T}$) greater than 450 GeV and decaying to bottom quark-antiquark pairs ($ \mathrm{b}\overline{\mathrm{b}} $) is performed using proton-proton collision data collected by the CMS experiment at the LHC at $ \sqrt{s} $ = 13 TeV. The data sample corresponds to an integrated luminosity of 137 fb$^{−1}$. The search is inclusive in the Higgs boson production mode. Highly Lorentz-boosted Higgs bosons decaying to $ \mathrm{b}\overline{\mathrm{b}} $ are reconstructed as single large-radius jets, and are identified using jet substructure and a dedicated b tagging technique based on a deep neural network. The method is validated with Z →$ \mathrm{b}\overline{\mathrm{b}} $ decays. For a Higgs boson mass of 125 GeV, an excess of events above the background assuming no Higgs boson production is observed with a local significance of 2.5 standard deviations (σ), while the expectation is 0.7. The corresponding signal strength and local significance with respect to the standard model expectation are μ$_{H}$ = 3.7 ± 1.2(stat)$ {}_{-0.7}^{+0.8} $(syst)$ {}_{-0.5}^{+0.8} $(theo) and 1.9 σ. Additionally, an unfolded differential cross section as a function of Higgs boson p$_{T}$ for the gluon fusion production mode is presented, assuming the other production modes occur at the expected rates.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Solid Phase Extraction of Cadmium and Lead from Water by Amberlyst 15 and Determination by Flame Atomic Absorption Spectrometry

Preconcentration of Cd(II) and Pb(II) was carried out by using column solid phase extraction method. Amberlyst 15 was used as solid phase for these analytes. The optimum extraction conditions such as pH (4), type and volume of eluent (5 mL of 2 mol L{sup −1} HNO{sub 3}) sample flow rate (1 mL min{sup −1}) and sample volume (100 mL for Cd(II) and 750 mL for Pb(II)) were determined. The recoveries were found for Cd(II) and Pb(II) as 104% ± 1% and 102 % ± 2%, respectively. The limit of detections were found as 0.23 µg L{sup −1} for Cd(II) and 0.13 µg L{sup −1} for Pb(II). The effects of foreign ions were also studied. The method was validated by analyzing standard reference material and spiked water samples. Percent relative error and relative standard deviation were below 3% and 4%, respectively.

54 ENVIRONMENTAL SCIENCES↗

A posteriori error estimation and adaptivity in hp virtual elements

An explicit and computable error estimator for the hp version of the virtual element method (VEM), together with lower and upper bounds with respect to the exact energy error, is presented. Such error estimator is employed to provide, following the approach of Melenk and Wohlmuth (Adv Comput Math 15(1–4):311–331, 2001), hp adaptive mesh refinements for very general polygonal meshes. In addition, a novel VEM hp Clément quasi-interpolant, instrumental for the a posteriori error analysis, is introduced. The performances of the adaptive method are validated by a number of numerical experiments.

97 MATHEMATICS AND COMPUTING↗

A Non-perturbative Approach to Computing Seismic Normal Modes in Rotating Planets

In this work, a continuous Galerkin method based approach is presented to compute the seismic normal modes of rotating planets. Special care is taken to separate out the essential spectrum in the presence of a fluid outer core using a polynomial filtering eigensolver. The relevant elastic-gravitational system of equations, including the Coriolis force, is subjected to a mixed finite-element method, while self-gravitation is accounted for with the fast multipole method. Our discretization utilizes fully unstructured tetrahedral meshes for both solid and fluid regions. The relevant eigenvalue problem is solved by a combination of several highly parallel and computationally efficient methods. We validate our three-dimensional results in the non-rotating case using analytical results for constant elastic balls, as well as numerical results for an isotropic Earth model from standard “radial” algorithms. We also validate the computations in the rotating case, but only in the slowly-rotating regime where perturbation theory applies, because no other independent algorithms are available in the general case. The algorithm and code are used to compute the point spectra of eigenfrequencies in several Earth and Mars models studying the effects of heterogeneity on a large range of scales.

58 GEOSCIENCES↗

Measurement of partial vapor pressures of salt mixtures via combined horizontal transpiration and thermogravimetric analysis

A method combining thermogravimetric analysis (TGA) and horizontal transpiration with elemental analysis via inductively coupled plasma mass spectrometry or ion chromatography enabled calculation of partial pressures of individual salts in molten mixtures. TGA quantified total mass loss, while transpiration identified vapor-phase composition. Furthermore, two chloride (NaCl-MgCl 2 , NaCl-MgCl 2 + UCl 3 ) salts and one mixed halide (LiCl-LiF + Li 2 O) salt were analyzed at 750 °C and 550 °C, respectively. NaCl and MgCl 2 vapor pressures were 2.19–2.61 × 10 -4 atm and 2.47–2.48 × 10 -5 atm (dependent upon the identity of the invesitgated mixture); UCl 3 was 1.42 × 10 -7 atm. LiCl and LiF vapor pressures at 550 °C were 1.53 × 10 -6 and 6.32 × 10 -6 atm, respectively. Additionally, the TGA method was validated against values from the literature for unary LiCl and LiF.

36 MATERIALS SCIENCE↗

Energy efficient photonic millimeter-wave generation using cascaded polarization modulators

A filter-less millimeter-wave generation scheme consisting of four polarization modulators in series, each followed by a polarizer is proposed to achieve optoelectronic frequency octupling. The cascade of polarization modulator and polarizer provides an intensity modulator whose biasing condition can be set by the polarizer angle and polarization state of the input light to each polarization modulator. A theoretical analysis of the architecture is performed using a transfer function method and validated by industry-standard software simulation tools. The circuit shows high potential in achieving desired performance with lower input RF power when compared to the another configuration based on a generalized Mach–Zehnder interferometer structure. Although the operating range in terms of applied RF drive becomes narrow, low RF input operation can be achieved by this circuit. The effect of imbalances in the key circuit parameters is also investigated in terms of electrical side harmonic suppression ratio.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computationally Efficient Multiscale Neural Networks Applied to Fluid Flow in Complex 3D Porous Media

Abstract The permeability of complex porous materials is of interest to many engineering disciplines. This quantity can be obtained via direct flow simulation, which provides the most accurate results, but is very computationally expensive. In particular, the simulation convergence time scales poorly as the simulation domains become less porous or more heterogeneous. Semi-analytical models that rely on averaged structural properties (i.e., porosity and tortuosity) have been proposed, but these features only partly summarize the domain, resulting in limited applicability. On the other hand, data-driven machine learning approaches have shown great promise for building more general models by virtue of accounting for the spatial arrangement of the domains’ solid boundaries. However, prior approaches building on the convolutional neural network (ConvNet) literature concerning 2D image recognition problems do not scale well to the large 3D domains required to obtain a representative elementary volume (REV). As such, most prior work focused on homogeneous samples, where a small REV entails that the global nature of fluid flow could be mostly neglected, and accordingly, the memory bottleneck of addressing 3D domains with ConvNets was side-stepped. Therefore, important geometries such as fractures and vuggy domains could not be modeled properly. In this work, we address this limitation with a general multiscale deep learning model that is able to learn from porous media simulation data. By using a coupled set of neural networks that view the domain on different scales, we enable the evaluation of large ( $$>512^3$$ > 512 3 ) images in approximately one second on a single graphics processing unit. This model architecture opens up the possibility of modeling domain sizes that would not be feasible using traditional direct simulation tools on a desktop computer. We validate our method with a laminar fluid flow case using vuggy samples and fractures. As a result of viewing the entire domain at once, our model is able to perform accurate prediction on domains exhibiting a large degree of heterogeneity. We expect the methodology to be applicable to many other transport problems where complex geometries play a central role.

36 MATERIALS SCIENCE↗

Transforming a Simple Structure Model to Represent a Complex Dynamic System with Unknown Boundary Restraints

Imposing a boundary condition on a structure can significantly alter its dynamic properties. However, sometimes the specifics of the new boundary conditions are not known. When the effects of a boundary condition are uncertain or there is not enough information, engineers need to excite the complex structure to obtain these modified properties. In order to experimentally obtain the new properties, engineers need multiple experiments and many outputs for interpolation in order to sufficiently represent the entire structure. In this study, the researchers attached a stinger to a cantilever beam, acting as a new transverse restraint of unknown properties. This paper presents a conversion expression that predicts the dynamic behavior of any point in the system with the new boundary condition. This expression relies only on one impact hammer experiment with one output and the model of the stinger-free cantilever beam, referred to as the simple structure. Researchers estimated the Transfer Function (TRF) of the beam and compared it with an experimentally measured TRF to validate the method. The mean absolute error of the estimated TRF compared to the experimental TRF is 1.99 dB. This demonstrates the use of the proposed method for estimating unmeasured TRFs in a system with an uncertain boundary condition using a single input, single output (SISO) test and a model of the simple structure.

42 ENGINEERING↗

Removal of inorganic mercury by selective extraction and coprecipitation for determination of methylmercury in mercury-contaminated soils by chemical vapor generation inductively coupled plasma mass spectrometry (CVG-ICP-MS)

A procedure is developed for selective extraction of methylmercury (CH 3 Hg + ) from heavily Hg-contaminated soils and sediments for determination by chemical vapor generation inductively coupled plasma mass spectrometry (CVG-ICP-MS). Soils artificially contaminated with 40 μg g –1 inorganic mercury (Hg 2+ ) or methylmercury chloride (CH 3 HgCl) were agitated by shaking or exposing to ultrasounds in dilute hydrochloric acid (HCl) or nitric acid (HNO 3 ) solutions at room temperature. Extractions in HCl (5 or 10% v/v) resulted in substantial leaching of Hg 2+ from soils, whereas 5% (v/v) HNO 3 provided selectivity for quantitative extraction of CH 3 Hg + with minimum Hg 2+ leaching. Agitation with ultrasounds in 5% (v/v) HNO 3 for about 3 min was sufficient for extraction of all CH 3 Hg + from soils. Coprecipitations with Fe(OH) 3 , Bi(OH) 3 and HgS were investigated for removal of residual Hg 2+ in soil extracts. Hydroxide precipitations were not effective. Thiourea or l-cysteine added to soil extracts prior to hydroxide precipitation improved precipitation of Hg 2+ , but also resulted in removal of CH 3 Hg + . HgS precipitation was made with dilute ammonium sulfide solution, (NH 4 ) 2 S. Adding 30 μL of 0.35 mol L –1 (NH 4 ) 2 S to soil extracts in 5% (v/v) HNO 3 resulted in removal of all residual Hg 2+ without impacting CH 3 Hg + levels. Vapor generation was carried out by reacting Hg 2+ -free soil extracts with 1% (m/v) NaBH 4 . No significant interferences were observed from (NH 4 ) 2 S on the vapor generation from CH 3 Hg + . The slopes of the calibration curves for CH 3 HgCl standard solutions in 5% (v/v) HNO 3 with and without (NH 4 ) 2 S were similar. Limits of detection (LOD, 3s method) were around 0.08 μg L –1 for 5% (v/v) HNO 3 blanks (n = 10) and 0.10 μg L –1 for 5% (v/v) HNO 3 + 0.005 mol L –1 (NH 4 ) 2 S blanks (n = 10). Percent relative standard deviation (%RSD) for five replicate measurements varied between 3.1% and 6.4% at 1.0 CH 3 HgCl level. The method is validated by analysis of two certified reference materials (CRM); purely Methylmercury sediment (SQC1238, 10.00 ± 0.291 ng g –1 CH 3 Hg + ) and Hg-contaminated Estuarine sediment (ERM – CC580, 75 ± 4 ng g–1 CH 3 Hg + and 132 ± 3 μg g –1 total Hg). CH 3 Hg + values for SQC1238 were between 13.0 and 13.2 ng g –1 , and 79 and 81 ng g –1 for ERM – CC580. Hg-contaminated soils (57–96 μg g –1 total Hg) collected from the floodplains of Oak Ridge, TN were analyzed for CH 3 Hg + using the procedure by CVG-ICPMS. CH 3 Hg + levels ranged from 30 to 51 ng g –1 and did not correlate with total Hg levels (R 2 = 0.01).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Calcium fluoride as a dominating matrix for quantitative analysis by laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS): A feasibility study

Here, calcium fluoride formed by the reaction between ammonium bifluoride and calcium chloride was investigated as a dominating matrix for quantitative analysis by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). Transformation from a solid sample to the calcium fluoride-based matrix permitted quantitative analysis based on calibration standards made from elemental standards. A low abundance stable calcium isotope, i.e. 44 Ca + , was monitored as the internal standard for quantitative analysis by LA-ICP-MS. Correlation coefficient factors for multiple elements were obtained with values over 0.999. The results for multiple elements in a certified reference material of soil (NIST SRM 2710a) agreed with the certified values in the range of expanded uncertainty, indicating the present method was valid for quantitation of elements in solid samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Hybrid Domain Overlapping Method for Coupling System Thermal Hydraulics and CFD Codes

A hybrid multiscale coupling methodology based on a domain overlapping approach has been developed for coupling System Thermal Hydraulics (STH) and Computational Fluid Dynamics (CFD) codes. The method has been implemented between the modern STH code SAM and the CFD code NekRS, using the coupling tool Cardinal. The coupling aims to extend the STH code's applicability to scenarios where local momentum and energy transfers are important yet difficult for STH codes to capture, such as three-dimensional mixing. Two coupling strategies are implemented and compared: a hybrid domain overlapping method and the conventional domain decomposition method. Here, the strategies are applied to two closed-loop applications, and the present method shows superior stability behavior when compared to the domain decomposition method. Then, the present coupling method is validated against experimental data from a double T-junction experiment. The present STH/CFD coupling shows improved agreement with experimental data when compared to STH standalone simulations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Residual service life of carbonated structures based on site non-destructive tests

Assessing the residual service life of carbonated reinforced concrete structures is typically conducted by measuring cover depths and carbonation of drilled cores, assuming the ''square root law'' for the progress of the carbonation front. Given the large spatial variability of carbonation depths, the required number of cores becomes prohibitive. A model is presented, based on numerous experimental data, by which the carbonation rate can be estimated by means of non-destructive site measurements of the air-permeability kT. A Weibull distribution of the carbonation rate K{sub c} is fitted to the results, which is a function of kT. Hence, for each kT value measured on site coupled with the cover depth x{sub d}, expected, optimistic and pessimistic values of the corrosion initiation time can be obtained without the need of drilling cores. The method is validated on 111 paired results of kT and x{sub d}, obtained on the emblematic Tokyo's Museum of Western Art.

36 MATERIALS SCIENCE↗