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At least 415 records · Page 23

Modeling the effectiveness of remediation efforts in contaminated urban areas: An EMRAS II Urban Areas Working Group exercise - 15631

The Urban Areas Working Group was part of the IAEA's EMRAS II (Environmental Modelling for Radiation Safety) Programme during 2009-2011. The Working Group's goal was to test and improve the capabilities of models used in assessment of radioactive contamination in urban settings. The 'contaminant transport and countermeasures' exercise was focused on modeling the effectiveness of potential countermeasures or remediation efforts with respect to reduction of human exposures and doses. The exercise was based on a hypothetical situation involving an initial concentration of Co-60 or Pu-239 in air in a specified urban area. Participants were given detailed input information, including descriptions of test locations in two types of urban areas, (1) a business area with buildings and asphalt, and (2) a park area near an apartment town. Several kinds of initial weather conditions (dry, light rain, and heavy rain) were explored. Modeling endpoints included contamination densities, dose rates (from each contributing surface and total), annual and cumulative doses (internal and external) for specified reference individuals, and effectiveness of countermeasures and remediation efforts in terms of dose rate reduction and dose reduction. External doses were emphasized for Co-60 and internal doses for Pu-239. Approaches and model predictions from five models are compared, and explanations for similarities and differences among model predictions are offered. Understanding the effects of different approaches, assumptions, and parameter values is essential to a comparison of results from different models and to understanding both the usefulness and the limitations of any given model. (authors)

54 ENVIRONMENTAL SCIENCES↗

On the effect of scalar flux weighing of linearly anisotropic scattering matrices in few-group transport calculations

The majority of the codes available for homogenized group constant generation for deterministic transport calculations apply the approximation of scalar flux weighting during energy group condensation of higher-order anisotropic scattering matrices. In this paper, we discuss the effect of scalar flux weighting of the linearly anisotropic scattering matrices in the frame of S P{sub 3} and S{sub 12} calculations performed for a two-dimensional VVER-440 reactor benchmark. To compare group constants generated for two neutron energy groups, an infinite pin cell was homogenized with Serpent 2 and ERANOS ECCO. Serpent 2 applies scalar flux, while ERANOS ECCO performs current weighting of the linearly anisotropic scattering matrices during energy group condensation. For analyzing the effect of the various weighting options, three simple reactor models were built assuming different core sizes using standard rectangular assemblies with 15*15 fuel pins. Diffusion, SP{sub 3} and S{sub 12} calculations were performed for the 3 models using group constants generated with Serpent 2 and ERANOS ECCO. The effect of scalar flux weighting of linearly anisotropic scattering matrices is shown by comparing the decrease in reactivity due to the decreased reactor size, as well as the assembly power distribution to reference results obtained with Serpent 2 Monte Carlo calculations. Neglecting higher than linearly anisotropic scattering and indirect application of diffusion coefficients in higher-order transport calculations is advised if angular flux-moment spectra weighted higher-order scattering matrices cannot be generated. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Central and Eastern North America Ground-Motion Characterization (NGA-East)

This document is the final project report of the Next Generation Attenuation for Central and Eastern North America (CENA) project (NGA-East). The NGA-East objective was to develop a new ground-motion characterization (GMC) model for the CENA region. The GMC model consists of a set of new ground-motion models (GMMs) for median and standard deviation of ground motions and their associated weights to be used with logic-trees in probabilistic seismic hazard analyses (PSHA). NGA-East is a large multidisciplinary project coordinated by the Pacific Earthquake Engineering Research Center (PEER), at the University of California. The project has two components: (1) a set of scientific research tasks, and (2) a model-building component following the framework of the “Seismic Senior Hazard Analysis Committee (SSHAC) Level 3” (Budnitz et al. 1997; NRC 2012). Component (2) is built on the scientific results of component (1) of the NGA-East project. This report documents the tasks under component (2) of the project. Under component (1) of NGA-East, several scientific issues were addressed, including: (a) development of a new database of ground motion data recorded in CENA; (b) development of a regionalized ground-motion map for CENA, (c) definition of the reference site condition; (d) simulations of ground motions based on different methodologies; and (e) development of numerous GMMs for CENA. The scientific tasks of NGA-East were all documented as a series of PEER reports. The scope of component (2) of NGA-East was to develop the complete GMC. This component was designed as a SSHAC Level 3 study with the goal of capturing the ground motions’ center, body, and range of the technically defensible interpretations in light of the available data and models. The SSHAC process involves four key tasks: evaluation, integration, formal review by the Participatory Peer Review Panel (PPRP), and documentation (this report). Key tasks documented in this report include review and evaluation of the empirical groundmotion database, the regionalization of ground motions, and screening sets of candidate GMMs. These are followed by the development of new median and standard deviation GMMs, the development of new analyses tools for quantifying the epistemic uncertainty in ground motions, and the documentation of implementation guidelines of the complete GMC for PSHA computations. Appendices include further documentation of the relevant SSHAC process and additional supporting technical documentation of numerous sensitivity analyses results. The PEER reports documenting component (1) of NGA-East are also considered “attachments” to the current report and are all available online on the PEER website (https://peer.berkeley.edu/). The final NGA-East GMC model includes a set of 17 GMMs defined for 24 ground-motion intensity measures, applicable to CENA in the moment magnitude range of 4.0 to 8.2 and covering distances up to 1500 km. Standard deviation models are also provided for site-specific analysis (single-station standard deviation) and for general PSHA applications (ergodic standard deviation). Adjustment factors are provided for consideration of source-depth effects and hanging-wall effects, as well as for hazard computations at sites in the Gulf Coast region.

58 GEOSCIENCES↗

Phase Field Dislocation Dynamics (PFDD) version 2.x

This disclosure is for version 2.x of a mesoscale model called Phase Field Dislocation Dynamics (PFDD). PFDD is used for investigating deformation in nanoscale (grain sizes of ~300 nm and less) materials, such as metals and alloys. This approach models the motion and interaction of individual defects, namely dislocations, in the material using scalar-valued phase field variables, also called order parameters. The system is evolved through energy minimization thus the model calculates the total energy density in terms of the phase field variables. The energy minimization is completed using the Ginzburg-Landau equation, and is implemented with explicit time integration. The total system energy can be comprised of several terms, including the strain energy (which describes dislocation-dislocation interactions), the energy due to an applied stress (dislocation interactions with the applied stress), and a core/lattice (perfect dislocations) or generalized stacking fault (partial dislocations) energy (described the dislocation core structure). The latter term in particular may vary based on the crystal structure being modeled and is typically informed using lower length scale (e.g., atomistic) approaches, although no such (atomistic) calculations are completed within the PFDD algorithm. This basic formulation was previously reviewed by Los Alamos National Laboratory and released under license number C17113. This previously reviewed version we will henceforth refer to as PFDD v1.0. PFDD v1.0 consisted of 2 codes (one parallel and one serial) plus input files, all written in the C language. This new disclosure is addressing the next versions of the PFDD, versions 2.x. There have been several enhancements of PFDD v1.0, which are described here and included in the attached code, which we will refer to as PFDD v2.0. There are also several new features described here that are either planned or already in process and are expected to be subsequent releases, i.e., v2.1, v2.2, ...v2.x.

Hunter, Abigail↗

Direct Measurement of Cl − Activity in Metal Chloride Molten Salts using a Cl 2 /Cl − Electrode

Molten metal chloride salts are promising candidates for advanced heat transfer fluids in generation IV nuclear reactors and beyond. The activity of the chloride ion in the salt has a large influence on the redox characteristics of the corresponding molten salt. There exists a knowledge gap for the direct measurement of chlorobasicity (Lewis basicity) in molten-salt mixtures. Here, the focus of this work was to develop a Cl 2 /Cl − electrode for the direct measurement of chloride activity in molten metal-chloride salt mixtures. The LiCl–KCl eutectic system was utilized as the reference melt to determine the change in chloride ion activity as increasing concentrations of MgCl 2 are added to the LiCl–KCl eutectic working electrode. The results of the measurements indicated a reduction in chloride ion activity as the concentration of magnesium chloride increased, consistent with the complexation of free chlorides by Lewis acidic magnesium cationic species. The Temkin model was used to estimate the thermodynamic properties of MgCl 4 2− complex.

Chloride↗

Validation of finite-element models using full-field experimental data: Levelling finite-element analysis data through a digital image correlation engine

Full-field data from digital image correlation (DIC) provide rich information for finite-element analysis (FEA) validation. However, there are several inherent inconsistencies between FEA and DIC data that must be rectified before meaningful, quantitative comparisons can be made, including strain formulations, coordinate systems, data locations, strain calculation algorithms, spatial resolutions and data filtering. As such, in this paper, we investigate two full-field validation approaches: (1) the direct interpolation approach, which addresses the first three inconsistencies by interpolating the quantity of interest from one mesh to the other, and (2) the proposed DIC-levelling approach, which addresses all six inconsistencies simultaneously by processing the FEA data through a stereo-DIC simulator to ‘level’ the FEA data to the DIC data in a regularisation sense. Synthetic ‘experimental’ DIC data were generated based on a reference FEA of an exemplar test specimen. The direct interpolation approach was applied, and significant strain errorswere computed, even though therewas no model form error, because the filtering effect of theDIC enginewas neglected. In contrast, the levelling approach provided accurate validation results, with no strain error when no model form error was present. Next, model form error was purposefully introduced via a mismatch of boundary conditions. With the direct interpolation approach, the mismatch in boundary conditions was completely obfuscated, while with the levelling approach, it was clearly observed. Finally, the ‘experimental’ DIC datawere purposefully misaligned slightly fromthe FEA data. Both validation techniques suffered from the misalignment, thus motivating continued efforts to develop a robust alignment process. In conclusion, direct interpolation is insufficient, and the proposed levelling approach is required to ensure that the FEA and the DIC data have the same spatial resolution and data filtering. Only after the FEA data have been ‘levelled’ to the DIC data can meaningful, quantitative error maps be computed.

42 ENGINEERING↗

Metal Phosphide Nanoparticles Generated via a Molecular Precursor Route for Hydrotreatment of Methyl Laurate

Transition metal phosphide nanoparticles supported on silica were used as catalysts to investigate the hydrodeoxygenation of methyl laurate (used as a model compound for vegetable oils). Ni 2 P, Ni 1 Mo 1 P, and Ni 1.6 Mo 0.4 P were synthesized using a molecular precursor route. The nanoparticles were added to the silica support without any changes in their structure or particle size. As a reference and for comparison, MoP/SiO 2 was also prepared by the phosphite method. The prepared catalysts were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy, and chemical analysis. A higher conversion is reached with the MoP/SiO 2 monometallic catalyst, close to that with Ni 1 Mo 1 P/SiO 2 . However, this observation is misleading because the differences in dispersion obscure the result that the intrinsic activity (turnover frequency) of the bimetallic catalyst, prepared by a molecular precursor route, is significantly higher than that of the monometallic catalyst, prepared by the phosphite route, revealing a synergistic effect on the catalytic activity due to the formation of the bimetallic phosphide.

09 BIOMASS FUELS↗

Simulations of Seismic Wave Propagation on Mars

In this paper, we present global and regional synthetic seismograms computed for 1D and 3D Mars models based on the spectral-element method. For global simulations, we implemented a radially-symmetric Mars model with a 110 km thick crust. For this 1D model, we successfully benchmarked the 3D seismic wave propagation solver SPECFEM3D_GLOBE against the 2D axisymmetric wave propagation solver AxiSEM at periods down to 10 s. We also present higher-resolution body-wave simulations with AxiSEM down to 1 s in a model with a more complex 1D crust, revealing wave propagation effects that would have been difficult to interpret based on ray theory. For 3D global simulations based on SPECFEM3D_GLOBE, we superimposed 3D crustal thickness variations capturing the distinct crustal dichotomy between Mars’ northern and southern hemispheres, as well as topography, ellipticity, gravity, and rotation. The global simulations clearly indicate that the 3D crust speeds up body waves compared to the reference 1D model, whereas it significantly changes surface waveforms and their dispersive character depending on its thickness. We also perform regional simulations with the solver SES3D based on 3D crustal models derived from surface composition, thereby addressing the effects of various distinct crustal features down to 2 s. The regional simulations confirm the strong effects of crustal variations on waveforms. Finally, we conclude that the numerical tools are ready for examining more scenarios, including various other seismic models and sources.

58 GEOSCIENCES↗

{sup 18}F-Choline Positron Emission Tomography/Computed Tomography and Multiparametric Magnetic Resonance Imaging for the Detection of Early Local Recurrence of Prostate Cancer Initially Treated by Radiation Therapy: Comparison With Systematic 3-Dimensional Transperineal Mapping Biopsy

Purpose: To compare the diagnostic performance of {sup 18}F-fluorocholine positron emission tomography/computed tomography (FCH-PET/CT), multiparametric prostate magnetic resonance imaging (mpMRI), and a combination of both techniques for the detection of local recurrence of prostate cancer initially treated by radiation therapy. Methods and Materials: This was a retrospective, single-institution study of 32 patients with suspected prostate cancer recurrence who underwent both FCH-PET/CT and 3T mpMRI within 3 months of one another for the detection of recurrence. All included patients had to be cleared for metastatic recurrence. The reference procedure was systematic 3-dimensional (3D)-transperineal prostate biopsy for the final assessment of local recurrence. Both imaging modalities were analyzed by 2 experienced readers blinded to clinical data. The analysis was made per-patient and per-segment using a 4-segment model. Results: The median prostate-specific antigen value at the time of imaging was 2.92 ng/mL. The mean prostate-specific antigen doubling time was 14 months. Of the 32 patients, 31 had a positive 3D-transperineal mapping biopsy for a local relapse. On a patient-based analysis, the detection rate was 71% (22 of 31) for mpMRI and 74% (23 of 31) for FCH-PET/CT. On a segment-based analysis, the sensitivity and specificity were, respectively, 32% and 87% for mpMRI, 34% and 87% for FCH-PET/CT, and 43% and 83% for the combined analysis of both techniques. Accuracy was 64%, 65%, and 66%, respectively. The interobserver agreement was κ = 0.92 for FCH-PET/CT and κ = 0.74 for mpMRI. Conclusions: Both mpMRI and FCH-PET/CT show limited sensitivity but good specificity for the detection of local cancer recurrence after radiation therapy, when compared with 3D-transperineal mapping biopsy. Prostate biopsy still seems to be mandatory to diagnose local relapse and select patients who could benefit from local salvage therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Atomistic force field for alumina fit to density functional theory

We present a force field for bulk alumina (Al{sub 2}O{sub 3}), which has been parametrized by fitting the energies, forces, and stresses of a large database of reference configurations to those calculated with density functional theory (DFT). We use a functional form that is simpler and computationally more efficient than some existing models of alumina parametrized by a similar technique. Nevertheless, we demonstrate an accuracy of our potential that is comparable to those existing models and to DFT. We present calculations of crystal structures and energies, elastic constants, phonon spectra, thermal expansion, and point defect formation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A unified thermionic and thermionic-field emission (TE–TFE) model for ideal Schottky reverse-bias leakage current

We present a unified thermionic emission (TE) and thermionic-field emission (TFE) model for the ideal reverse-bias leakage current in Schottky junctions. The unified TE–TFE analytical model advances upon previous analytical TFE models by Murphy–Good and Padovani–Stratton, which are the two most widely adopted models by the community, in two major aspects: (i) the applicability of the TFE expression therein is extended to near-zero surface electric fields by an error-function correction, allowing for the calculation of the total current by a nontrivial sum of TE (over-the-barrier current) and TFE (below-the-barrier current) contributions; therefore, an accurate description of the TE-to-TFE transition region is captured analytically for the first time; (ii) image-force lowering is considered with much-simpler correction terms. Comparisons with the reference numerical model show that the unified TE–TFE model has excellent accuracy, as well as a 10 000× reduction in computation time. The unified model is further tested against experimental data from Schottky barrier diodes based on Si, 4H-SiC, GaN, and β-Ga 2 O 3 , revealing accurate extractions of barrier heights and correct descriptions of the ideal reverse leakage characteristics. With the extended applicable range, improved accuracy, and computational efficiency, the unified TE–TFE model is highly valuable for the design and analysis of devices based on Schottky junctions, as well as for potential integration in technology computer-aided design (TCAD) tools.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Field-Array Benchmark of Commercial Bifacial PV Technologies with Publicly Available Data

We present results for a 75-kW field array deployed with rows of 5 different commercially available bifacial technologies. Four PERC (multi and mono) and 1 Silicon Heterojunction manufacturers are represented. Reference strings of equivalent monofacial PV modules are also installed in the 10-row field. High accuracy string-level DC monitoring and module-level measurements have been recorded for six months. Analysis indicates performance within expectation, with a cumulative model mean error within +/- 2% for both bifacial and monofacial models and cumulative bifacial energy gain between 6-9%. A custom-module to measure shading loss from the torque-tube was installed. One month data shows up to 6% irradiance non-uniformity. A fixed-tilt test-site with 3 years of bifacial data is also presented, with a bifacial gain of 3%.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Technical Note: Motion-perturbation method applied to dosimetry of dynamic MLC target tracking—A proof-of-concept

Purpose: Previous studies show that dose to a moving target can be estimated using 4D measurement-guided dose reconstruction based on a process called virtual motion simulation, or VMS. A potential extension of VMS is to estimate dose during dynamic multileaf collimator (MLC)-tracking treatments. The authors introduce a modified VMS method and quantify its performance as proof-of-concept for tracking applications. Methods: Direct measurements with a moving biplanar diode array were used to verify accuracy of the VMS dose estimates. A tracking environment for variably sized circular MLC apertures was simulated by sending preprogrammed control points to the MLC while simultaneously moving the accelerator treatment table. Sensitivity of the method to simulated tracking latency (0–700 ms) was also studied. Potential applicability of VMS to fast changing beam apertures was evaluated by modeling, based on the demonstrated dependence of the cumulative dose on the temporal dose gradient. Results: When physical and virtual latencies were matched, the agreement rates (2% global/2 mm gamma) between the VMS and the biplanar dosimeter were above 96%. When compared to their own reference dose (0 induced latency), the agreement rates for VMS and biplanar array track closely up to 200 ms of induced latency with 10% low-dose cutoff threshold and 300 ms with 50% cutoff. Time-resolved measurements suggest that even in the modulated beams, the error in the cumulative dose introduced by the 200 ms VMS time resolution is not likely to exceed 0.5%. Conclusions: Based on current results and prior benchmarks of VMS accuracy, the authors postulate that this approach should be applicable to any MLC-tracking treatments where leaf speeds do not exceed those of the current Varian accelerators.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A DISTANT MIRROR: SOLAR OSCILLATIONS OBSERVED ON NEPTUNE BY THE KEPLER K 2 MISSION

Starting in 2014 December, Kepler K 2 observed Neptune continuously for 49 days at a 1 minute cadence. The goals consisted of studying its atmospheric dynamics, detecting its global acoustic oscillations, and those of the Sun, which we report on here. We present the first indirect detection of solar oscillations in intensity measurements. Beyond the remarkable technical performance, it indicates how Kepler would see a star like the Sun. The result from the global asteroseismic approach, which consists of measuring the oscillation frequency at maximum amplitude ν {sub max} and the mean frequency separation between mode overtones Δ ν , is surprising as the ν {sub max} measured from Neptune photometry is larger than the accepted value. Compared to the usual reference ν {sub max,⊙} = 3100 μ Hz, the asteroseismic scaling relations therefore make the solar mass and radius appear larger by 13.8 ± 5.8% and 4.3 ± 1.9%, respectively. The higher ν {sub max} is caused by a combination of the value of ν {sub max,⊙}, being larger at the time of observations than the usual reference from SOHO /VIRGO/SPM data (3160 ± 10 μ Hz), and the noise level of the K 2 time series, being 10 times larger than VIRGO’s. The peak-bagging method provides more consistent results: despite a low signal-to-noise ratio (S/N), we model 10 overtones for degrees ℓ = 0, 1, 2. We compare the K 2 data with simultaneous SOHO /VIRGO/SPM photometry and BiSON velocity measurements. The individual frequencies, widths, and amplitudes mostly match those from VIRGO and BiSON within 1 σ, except for the few peaks with the lowest S/N.

79 ASTRONOMY AND ASTROPHYSICS↗

Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlation

Approximate full configuration interaction (FCI) calculations have recently become tractable for systems of unforeseen size, thanks to stochastic and adaptive approximations to the exponentially scaling FCI problem. The result of an FCI calculation is a weighted set of electronic configurations, which can also be expressed in terms of excitations from a reference configuration. The excitation amplitudes contain information on the complexity of the electronic wave function, but this information is contaminated by contributions from disconnected excitations, i.e., those excitations that are just products of independent lower-level excitations. The unwanted contributions can be removed via a cluster decomposition procedure, making it possible to examine the importance of connected excitations in complicated multireference molecules which are outside the reach of conventional algorithms. We present an implementation of the cluster decomposition analysis and apply it to both true FCI wave functions, as well as wave functions generated from the adaptive sampling CI algorithm. Furthermore, the cluster decomposition is useful for interpreting calculations in chemical studies, as a diagnostic for the convergence of various excitation manifolds, as well as as a guidepost for polynomially scaling electronic structure models. Applications are presented for (i) the double dissociation of water, (ii) the carbon dimer, (iii) the π space of polyacenes, and (iv) the chromium dimer. While the cluster amplitudes exhibit rapid decay with an increasing rank for the first three systems, even connected octuple excitations still appear important in Cr 2 , suggesting that spin-restricted single-reference coupled-cluster approaches may not be tractable for some problems in transition metal chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High Temperature Erosion Modeling in Particle Based CSP Systems

1. Introduction. Wear and erosion damage of materials from solid particle and surface interactions is a major issue in various industries. Although more common in mining and oil and gas production, erosion is becoming a critical issue in renewable technologies as well such as particle based concentrated solar thermal power (CSP) systems. In particle based CSP systems, solid particles are used to absorb solar energy and as thermal storage. However, these particles may cause significant amount of wear to system components while through the system at high temperatures. This damage can be costly, and therefore, requires a greater understanding of solid particle erosion in CSP systems. Throughout the years, models and tools have been developed to predict and control erosion in industries such as oil and gas production. However, these erosion models and erosion prediction tools have been mainly developed based on erosion data for much higher velocities and lower temperatures, i.e. the operating conditions for which the existing models have been built are not pertinent to those expected in CSP system. It is known that erosion depends on many factors such as material properties, erodent particle properties, and particle impact speed and angle. However, the effect of temperature on erosion is not vastly investigated. In this work, a temperature-based correlation is introduced that will be used to modify the existing erosion models to predict erosion rates at velocities and temperatures relevant to Gen3 CSP systems. The existing models are first validated against erosion experiments run at low temperatures and low velocities. Subsequently, a temperature correction term is developed that can extend the existing models to high temperatures, based on the available experimental data showing the effect of temperature on impact erosion. 2. Erosion Models. Continuing sequence of impacts from solid particles on surfaces would result in loss of material due to mechanical interaction between solid surface and particles. Erosion equations have been developed to predict erosion under different conditions and erosion mechanism, including cutting and deformation erosion. These models are mainly either mechanistic, empirical, and semi-mechanistic models, when the latter combine the theory of the erosion mechanism and particle motion with the available experimental data. One of the first empirical correlation was introduced by American Petroleum Institute (API) Recommended Practice (RP) 14E [1]. This correlation was very conservative, and several improved empirical and semi-mechanistic equations were developed in the years following. More recently, the models introduced by Erosion/Corrosion Research Center (E/CRC) at the University of Tulsa and Arabnejad. et al. [2] are frequently used in the literature and industry, as they account for many parameters affecting erosion including particle impact speed and angle, material density and hardness, and particle size and shape. However, both these models were developed based on data at relatively high velocities and also do not take into account any mechanical changes in material associated with thermal cycling at high temperatures. 3. Erosion Prediction at High Temperatures. In this work, the accuracy of Arabnejad et al. model and E/CRC model is investigated to predict impact erosion at conditions relevant to Gen3 CSP systems. Two significant deviations expected in Gen3 systems compared to operating conditions used to build these models are particle impact velocities and system temperature. As a first step, the performance of these models was validated at low velocities and temperatures. Impact erosion experiments were conducted on SS316 coupons using HSP 40/70 ceramic particles. Assuming particle rate of 1 kg/s/m, 0.0254 m of particle curtain thickness, and particle velocity of 1.5 m/s in the system, an overall erosion of 0.59 mm/year was calculated. The experimental results were subsequently compared to those from computational simulations and erosion of 0.47 mm/year was obtained using the Arabnejad et al. model. The results indicated that the models work well at low velocities and low temperature conditions. To account for temperature effect, a mathematical correlation was developed using data published by DUCOM [3] for Inconel 600 eroded by alumina particles at high velocities. The correlation was applied to both Arabnejad et. al model and the E/CRC model. The prediction results from these modified models were within 20% of this experimental data. Predictions of of erosion by the modified E/CRC model at three different temperatures are made. Similar to the calculation at low temperature, a typical CSP system with 1 kg/s/m of particle flow rate per unit length of the particle curtain and a curtain thickness of 0.0254 m is assumed. The annual thickness loss calculations were run for different particle impact velocities, assuming a uniform particle impact area equal to the cross-sectional area of the curtain (particle-particle interactions and dispersion of particles are not considered in obtaining the results). It is observed that erosion increases exponentially as temperature increases. Furthermore, it is also noted that, erosion changes non-linearly with impact velocity. Currently, experiments are also being conducted to measure erosion of SS316 at 800 ºC with HSP 40/70 particles at low impact velocities. We expect to use the results from high temperature testing to further improve the temperature correlation function. Similar models are also being developed for abrasion erosion resulting from particle sliding along the surfaces as well as attrition from particle to particle and particle to surface interactions. References. [1] Institute, A. P. (1991). API Recommended Practice for Design and Installation of Offshore Production Platform Piping System, API RP 14E. [2] Arabnejad, H., Mansouri, A., Shirazi, S. A., and McLaury, B. S. (2015a). Development of mechanistic erosion equation for solid particles. Wear, 332–333, 1044–1050. http://doi.org/10.1016/j.wear.2015.01.031. [3] https://ducom.com/high-temperature-erosion-evaluating-sample-wear/

14 SOLAR ENERGY↗

LES and RANS Spray Combustion Analysis of OME 3-5 and n-Dodecane

Clean-burning oxygenated and synthetic fuels derived from renewable power, so-called e-fuels, are a promising pathway to decarbonize compression–ignition engines. Polyoxymethylene dimethyl ethers (PODEs or OMEs) are one candidate of such fuels with good prospects. Their lack of carbon-to-carbon bonds and high concentration of chemically bound oxygen effectively negate the emergence of polycyclic aromatic hydrocarbons (PAHs) and even their precursors like acetylene (C 2 H 2 ), enabling soot-free combustion without the soot-NO x trade-off common for diesel engines. The differences in the spray combustion process for OMEs and diesel-like reference fuels like n-dodecane and their potential implications on engine applications include discrepancies in the observed ignition delay, the stabilized flame lift-off location, and significant deviations in high-temperature flame morphology. For CFD simulations, the accurate modeling and prediction of these differences between OMEs and n-dodecane proved challenging. This study investigates the spray combustion process of an OME 3 − 5 mixture and n-dodecane with advanced optical diagnostics, Reynolds-Averaged Navier–Stokes (RANS), and Large-Eddy Simulations (LESs) within a constant-volume vessel. Cool-flame and high-temperature combustion were measured simultaneously via high-speed (50 kHz) imaging with formaldehyde (CH 2 O) planar laser-induced fluorescence (PLIF) representing the former and line-of-sight OH* chemiluminescence the latter. Both RANS and LES simulations accurately describe the cool-flame development process with the formation of CH 2 O. However, CH 2 O consumption and the onset of high-temperature reactions, signaled by the rise of OH* levels, show significant deviations between RANS, LES, and experiments as well as between n-dodecane and OME. A focus is set on the quality of the simulated results compared to the experimentally observed spatial distribution of OH*, especially in OME fuel-rich regions. The influence of the turbulence modeling is investigated for the two distinct ambient temperatures of 900 K and 1200 K within the Engine Combustion Network Spray A setup. The capabilities and limitations of the RANS simulations are demonstrated with the initial cool-flame propagation and periodic oscillations of CH 2 O formation/consumption during the quasi-steady combustion period captured by the LES.

CFD↗

On the Use of Smart Meter Data to Estimate the Voltage Magnitude on the Primary Side of Distribution Service Transformers

This paper develops a novel method to estimate the voltage magnitude on the primary side of distribution service transformers. The proposed method relies exclusively on smart meters, and therefore it is fully data-driven. This is an important feature because electric utilities have detailed models of only the primary network - that is, the network between the distribution substation and the primary side of service transformers that are installed closer to end-customer sites. The network that connects the secondary side of service transformers to end-customer sites, referred to as the secondary network, is simply represented by a lumped load. For each secondary network, the proposed method uses data acquired from only 2 smart meters: the closest and the farthest-in the sense of electrical distance - from the service transformer. As a reference to this feature, the proposed method is named SM2Vp. To our knowledge, this is the first time a method is shown to provide actionable information for realtime operation and control of power distribution grids using only two smart meters per secondary network. This is important because utilities have experienced barriers in managing and using large data sets for real-time operation and control. SM2Vp is primarily intended to provide pseudo-measurements for distribution system state estimation, but it can also be used directly for voltage control schemes. The performance of SM2Vp is demonstrated by numerical simulations carried out on three secondary network synthetic models and by using field data provided by a utility partner serving customers in southwestern California. A maximum relative error of approximately 3.9% or less is observed for the primary voltage magnitude estimates in all numerical experiments.

distribution service transformer↗