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Sorption testing and generalized composite surface complexation models for determining uranium sorption parameters at a proposed in-situ recovery site

Solid-phase iron concentrations and generalized composite surface complexation models were used to evaluate procedures in determining uranium sorption on oxidized aquifer material at a proposed U in situ recovery (ISR) site. At the proposed Dewey Burdock ISR site in South Dakota, USA, oxidized aquifer material occurs downgradient of the U ore zones. Solid-phase Fe concentrations did not explain our batch sorption test results,though total extracted Fe appeared to be positively correlated with overall measured U sorption. Batch sorption test results were used to develop generalized composite surface complexation models that incorporated the full genericsorption potential of each sample, without detailed mineralogiccharacterization. The resultant models provide U sorption parameters (site densities and equilibrium constants) for reactive transport modeling. The generalized composite surface complexation sorption models were calibrated to batch sorption data from three oxidized core samples using inverse modeling, and gave larger sorption parameters than just U sorption on the measured solidphase Fe. These larger sorption parameters can significantly influence reactive transport modeling, potentially increasing U attenuation. Because of the limited number of calibration points, inverse modeling required the reduction of estimated parameters by fixing two parameters. The best-fit models used fixed values for equilibrium constants, with the sorption site densities being estimated by the inversion process. While these inverse routines did provide best-fit sorption parameters, local minima and correlated parameters might require further evaluation. Despite our limited number of proxy samples, the procedures presented provide a valuable methodology to consider for sites where metal sorption parameters are required. Furthermore, these sorption parameters can be used in reactive transport modeling to assess downgradient metal attenuation, especially when no other calibration data are available, such as at proposed U ISR sites.

54 ENVIRONMENTAL SCIENCES↗

Evaluation of Pre- and Post- Redevelopment Groundwater Chemical Analyses from LM Monitoring Wells

This report documents the efforts and analyses conducted for the Applied Studies and Technology (AS&T) Ancillary Work Plan (AWP) project titled Evaluation of Pre- and Post- Redevelopment Groundwater Sample Laboratory Analyses from Selected LM Groundwater Monitoring Wells. This effort entailed compiling an inventory of nearly 500 previous well redevelopment events at 16 U.S. Department of Energy Office of Legacy Management (LM) sites, searching the literature for impacts of well redevelopment on groundwater sample quality, and—the focus of this report—evaluating the impacts of well redevelopment on field measurements and sample analytical results. Study Catalyst Monitoring well redevelopment, the surging or high-volume pumping of a well to loosen and remove accumulated sediment and biological build-up from a well, is considered an element of monitoring well maintenance that is implemented periodically during the lifetime of the well to mitigate its gradual deterioration. Well redevelopment has been conducted fairly routinely at a few LM sites in the western United States (e.g., the Grand Junction office site and the Gunnison processing site in Colorado), but at most other sites in this region it is not a routine practice. Also, until recently (2014–2015), there had been no specific criteria for implementing well redevelopment, and documentation of redevelopment events has been inconsistent. A catalyst for this evaluation was the self-identification of these inconsistencies by the Legacy Management Support contractor. As a result, in early 2015 Environmental Monitoring Operations (EMO) staff began collecting and documenting additional field measurements during well redevelopment events. In late 2015, AS&T staff undertook an independent internal evaluation of EMO's well redevelopment records and corresponding pre- and post-well-redevelopment groundwater analytical results. Study Findings Although literature discussions parallel the prevailing industry-wide assumption that well redevelopment is necessary to increase production or to extend the life of a well, no data in the literature indicate that redevelopment affects chemical signatures in monitoring wells. The comprehensive evaluation undertaken for this study also yielded no evidence that redevelopment has any quantifiable or predictable effect on groundwater sample quality. Both short-term and long-term changes in groundwater chemistry were assessed relative to preceding and subsequent well redevelopment events. Although short-term changes in specific conductance or contaminant concentrations likely attributable to well redevelopment were found at some sites, these cases were limited to a small subset of wells in which chemical stratification had been observed. Redevelopment causes mixing of the well water, resulting in short-term impacts, but not in a consistent direction. Long-term groundwater concentration trends of uranium, the primary contaminant of concern at most LM Uranium Mill Tailings Radiation Control Act (UMTRCA) sites, were evaluated for all 16 sites addressed in this study. Based on the data evaluated, there are no apparent impacts of well redevelopment on uranium trends. In most cases where deviations in trends were found, these could be attributed to water level fluctuations or other factors. A few exceptions were found where spikes or marked decreases in uranium concentrations could potentially be related to the preceding well redevelopment, but apparent impacts were neither predictable nor quantifiable. Summary and Recommendations A catalyst for this project was a concern that there was a need for strict criteria for a program-wide approach to well redevelopment at LM sites. There was also an implicit question as to whether well redevelopment was a necessary practice that was being overlooked at some sites. The primary objective of this study was to determine if there are significant differences in laboratory analytical results between pre- and post-redevelopment groundwater samples. Results of this evaluation indicate that this is not the case—groundwater concentrations of uranium, the primary contaminant of concern at most LM UMTRCA sites, generally remained unchanged pre- and post-well-redevelopment. The literature supports redevelopment of monitoring and municipal wells if signs of reduced productivity, biofouling, sediment buildup, or other conditions potentially affecting long-term well integrity are observed. In these cases, use of a downhole camera to examine the condition of the well screen and casing may be useful. However, based on the data sets examined for this study, there is no evidence that well redevelopment is needed in order to obtain samples that have the same chemical concentrations as those in the groundwater. To conclusively demonstrate that point—that is, to define chemical effects—the underlying mechanisms have to be understood. For example, if biofouling is observed in a well and is considered a potential cause of spurious or invalid chemical data, appropriate hypothesis-testing ethodology should be used to test the validity of this claim. Until late 2014, the onset of this project, there was no standard procedure for documenting well redevelopment events; some (perhaps many) had not been captured in the historical record. EMO has made notable progress in this regard since 2015, having established a format for documenting well redevelopment events and associated field measurements, as well as a data repository for capturing those records. This policy should be continued to ensure that all well redevelopment events and associated field observations are recorded and easily tracked.

54 ENVIRONMENTAL SCIENCES↗

Visualization of the High-Burnup Spent Fuel Rod Phase 1 Test Plan: Technical Memo - Spent Fuel and Waste Disposition (Technical Memo)

Twenty-five high-burnup fuel rods were extracted from seven different fuel assemblies used for power production at the North Anna nuclear power plant and shipped to Oak Ridge National Laboratory (ORNL) in 2016 for detailed non-destructive examination (NDE) and destructive examination (DE). The spent fuel rods were from 17×17 lattices and consist of four cladding types—Zirlo ® , M5 ® , Zircaloy-4, and low tin Zircaloy-4 (Zirc-4). These spent fuel rods are being tested to provide: (a) baseline characterization and mechanical property data that can be used as a comparison to fuel that was loaded into a modified TN-32B cask in November 2017, as part of the high-burnup confirmatory data project and (b) data applicable to high-burnup fuel rods (>45 GWd/MTU) currently stored and to be stored in the dry-cask fleet. The TN-32B cask is referred to as the “Demo” cask and is currently expected to be transported to a separate location and the internal contents inspected in approximately ten years. ORNL has completed the NDE of the twenty-five fuel rods. The purpose of this technical memorandum is to present a simplified summary of the first phase of destructive examinations and test conditions that will be used for communicating with various stakeholders. The destructive examinations will leverage the expertise and capabilities from multiple national laboratories for performing independent measurements of relevant data. Close coordination is required to ensure that all examinations follow well documented procedures and are performed so that measured data and characteristics can be readily compared. Pacific Northwest National Laboratory (PNNL) has published a detailed overview of the test program. ORNL and PNNL developed detailed draft test plans for testing to be performed at their facilities. ORNL and PNNL are in the process of refining these test plans to apply specifically to the testing described in this memorandum. Argonne National Laboratory (ANL) contributed to the ORNL test plan by describing tests to be conducted at ANL. Testing will be based on continuous learning. If a test produces results that are inconsistent with expectations or current trends, further testing will be paused until a path forward is established to understand the results and to identify follow-on testing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

VERA 3.6 Release

CASL has developed a formalized process to release the Virtual Environment for Reactor Applications (VERA) to non-CASL users through the Radiation Shielding Information Computational Center (RSICC). This milestone represents a major release of VERA with updates that significantly reduce computational resources required and introduce new capabilities related to fuel performance integration. This release will also be used by CASL Test Stands and training activities. VERA 3.6 represents an incremental release, with improvements to core component capabilities, significant performance improvements, and updated documentation. This release followed a significantly revised release process, with formal documentation, testing, readiness reviews, and release authorization. The major tasks that were completed as part of this milestone were: 1) Revision of the VERA RSICC Release Process and Procedures; 2) Identification of the VERA release components; 3) Creation of a Release Candidate; 4) Independent evaluation of the Release Candidate by the Advanced Modeling Applications (AMA) Focus Area; 5) A Release Candidate Readiness Review; 6) Development and execution of a System Test Plan; 7) Updates of manuals and other required documentation; 8) Export Control reviews; 9) A Release Readiness Review; and 10) Delivery of the release package to RSICC. Synopses of the work done to complete each of these major tasks are summarized in Section 2 below. Supporting details are provided in the PHI Kanban ticket #4424 Support VERA 3.6 Release Activities and its child tickets.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Irradiation of electronic components and circuits at the Portuguese Research Reactor: Lessons learned

The behavior of electronic components and circuits under radiation is a concern shared by the nuclear industry, the space community and the high-energy physics community. Standard commercial components are used as much as possible instead of radiation hard components, since they are easier to obtain and allow a significant reduction of costs. However, these standard components need to be tested in order to determine their radiation tolerance. The Portuguese Research Reactor (RPI) is a 1 MW pool-type reactor, operating since 1961. The irradiation of electronic components and circuits is one area where a 1 MW reactor can be competitive, since the fast neutron fluences required for testing are in most cases well below 10{sup 16} n/cm{sup 2}. A program was started in 1999 to test electronics components and circuits for the LHC facility at CERN, initially using a dedicated in-pool irradiation device and later a beam line with tailored neutron and gamma filters. Neutron filters are essential to reduce the intensity of the thermal neutron flux, which does not produce significant defects in electronic components but produces unwanted radiation from activation of contacts and packages of integrated circuits and also of the printed circuit boards. In irradiations performed within the line-of-sight of the core of a fission reactor there is simultaneous gamma radiation which complicates testing in some cases. Filters can be used to reduce its importance and separate testing with a pure gamma radiation source can contribute to clarify some irradiation results. Practice has shown the need to introduce several improvements to the procedures and facilities over the years. We will review improvements done in the following areas: - Optimization of neutron and gamma filters; - Dosimetry procedures in mixed neutron / gamma fields; - Determination of hardness parameter and 1 MeV-equivalent neutron fluence; - Temperature measurement and control during irradiation; - Follow-up of reactor power operational fluctuations; - Study of gamma radiation effects only. The fission neutron spectrum can be limitative for some of the tests, as most neutrons are in the 1-2 MeV energy range. Significant progress has been made lately in compact neutron generators using D-D and D-T fusion reactions, achieving higher neutron fluxes and longer lifetime than previously available. The advantages of using compact neutron generators for testing of electronic components and circuits will be also discussed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Commonly used FRET fluorophores promote collapse of an otherwise disordered protein

The dimensions that unfolded proteins, including intrinsically disordered proteins (IDPs), adopt in the absence of denaturant remain controversial. We developed an analysis procedure for small-angle X-ray scattering (SAXS) profiles and used it to demonstrate that even relatively hydrophobic IDPs remain nearly as expanded in water as they are in high denaturant concentrations. In contrast, as demonstrated here, most fluorescence resonance energy transfer (FRET) measurements have indicated that relatively hydrophobic IDPs contract significantly in the absence of denaturant. Here, we use two independent approaches to further explore this controversy. First, using SAXS we show that fluorophores employed in FRET can contribute to the observed discrepancy. Specifically, we find that addition of Alexa-488 to a normally expanded IDP causes contraction by an additional 15%, a value in reasonable accord with the contraction reported in FRET-based studies. Second, using our simulations and analysis procedure to accurately extract both the radius of gyration (R g ) and end-to-end distance (R ee ) from SAXS profiles, we tested the recent suggestion that FRET and SAXS results can be reconciled if the R g and R ee are “uncoupled” (i.e., no longer simply proportional), in contrast to the case for random walk homopolymers. We find, however, that even for unfolded proteins, these two measures of unfolded state dimensions remain proportional. Together, these results suggest that improved analysis procedures and a correction for significant, fluorophore-driven interactions are sufficient to reconcile prior SAXS and FRET studies, thus providing a unified picture of the nature of unfolded polypeptide chains in the absence of denaturant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Final Report: Modeling coupled ice sheet-ocean interactions in the Model for Prediction Across Scales (MPAS) and in DOE Earth System Models

Ice sheet-ocean interactions are involved in a potential climate tipping point in the climate system. Weakening of dynamical ocean barriers that currently hold warmer waters off the Antarctic continental shelf could lead to warming under Antarctica’s largest ice shelves, causing as much as a hundredfold increase in sub-ice-shelf melting. Increased ice-sheet melting could trigger dynamical instabilities in the ice sheet itself if sufficient buttressing from ice shelves is lost. This project developed and tested several modeling capabilities needed to investigate these phenomena. In collaboration with a number of international groups, notably the climate modeling group at Los Alamos National Laboratory (LANL), the following capabilities were added to the Energy Exascale Earth System Model (E3SM) and its ocean component (the Model for Prediction Across Scales Ocean, MPAS-Ocean): 1) a new vertical coordinate appropriate for ice-shelf cavities; 2) an initialization procedure appropriate for damping waves from imbalances in ocean pressure and that of the overlying ice shelf; 3) A suite of idealized test cases related to ice shelf-ocean interactions; 4) A set of diagnostics for tracking freshwater fluxes and heat budgets from ice-shelf melting; 5) infrastructure for computing ice sheet-ocean fluxes in the E3SM coupler; and 6) A set of analysis and visualization tools for E3SM ocean and sea-ice validation with a particular focus on Antarctic and Southern Ocean climate. Additionally, the project included participation and leadership in a number of international model intercomparison projects (MIPs). Most notably, the PI was a co-chair of the Marine Ice Sheet-Ocean Model Intercomparison Project (MISOMIP), designing the experiment, coordinating participation in the MIP and performing the bulk of the analysis. Although the project was cut short when the PI accepted a staff scientist position at LANL, the project played a role in seven publications and has segued smoothly into ongoing Department of Energy projects in the “ecosystem” surrounding E3SM.

54 ENVIRONMENTAL SCIENCES↗

A Computed Tomography Automation Architecture Developed from a Comprehensive Literature Review

This paper presents a literature review on techniques related to the computed tomography procedure that incorporate automation elements in their research investigations or industrial applications. Computed tomography (CT) is a non-destructive testing (NDT) technique in that the imaging and inspection are performed without damaging the sample, allowing for additional or repeated analysis if necessary. The reviewed literature is organized based on the steps associated with a general NDT task in order to define an end-to-end computed tomography automation architecture. The process steps include activities prior to image collection, during the scan, and after the data are collected. It further reviews efforts related to repeating this process based on a previous scan result. By analyzing the multiple existing but disparate efforts found in the literature, we present a framework for fully automating NDT procedures and discuss the remaining technical gaps in the developed framework.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Photon-counting hexagonal pixel array CdTe detector: Spatial resolution characteristics for image-guided interventional applications

Purpose: High-resolution, photon-counting, energy-resolved detector with fast-framing capability can facilitate simultaneous acquisition of precontrast and postcontrast images for subtraction angiography without pixel registration artifacts and can facilitate high-resolution real-time imaging during image-guided interventions. Hence, this study was conducted to determine the spatial resolution characteristics of a hexagonal pixel array photon-counting cadmium telluride (CdTe) detector. Methods: A 650 μm thick CdTe Schottky photon-counting detector capable of concurrently acquiring up to two energy-windowed images was operated in a single energy-window mode to include photons of 10 keV or higher. The detector had hexagonal pixels with apothem of 30 μm resulting in pixel pitch of 60 and 51.96 μm along the two orthogonal directions. The detector was characterized at IEC-RQA5 spectral conditions. Linear response of the detector was determined over the air kerma rate relevant to image-guided interventional procedures ranging from 1.3 nGy/frame to 91.4 μGy/frame. Presampled modulation transfer was determined using a tungsten edge test device. The edge-spread function and the finely sampled line spread function accounted for hexagonal sampling, from which the presampled modulation transfer function (MTF) was determined. Since detectors with hexagonal pixels require resampling to square pixels for distortion-free display, the optimal square pixel size was determined by minimizing the root-mean-squared-error of the aperture functions for the square and hexagonal pixels up to the Nyquist limit. Results: At Nyquist frequencies of 8.33 and 9.62 cycles/mm along the apothem and orthogonal to the apothem directions, the modulation factors were 0.397 and 0.228, respectively. For the corresponding axis, the limiting resolution defined as 10% MTF occurred at 13.3 and 12 cycles/mm, respectively. Evaluation of the aperture functions yielded an optimal square pixel size of 54 μm. After resampling to 54 μm square pixels using trilinear interpolation, the presampled MTF at Nyquist frequency of 9.26 cycles/mm was 0.29 and 0.24 along the orthogonal directions and the limiting resolution (10% MTF) occurred at approximately 12 cycles/mm. Visual analysis of a bar pattern image showed the ability to resolve close to 12 line-pairs/mm and qualitative evaluation of a neurovascular nitinol-stent showed the ability to visualize its struts at clinically relevant conditions. Conclusions: Hexagonal pixel array photon-counting CdTe detector provides high spatial resolution in single-photon counting mode. After resampling to optimal square pixel size for distortion-free display, the spatial resolution is preserved. The dual-energy capabilities of the detector could allow for artifact-free subtraction angiography and basis material decomposition. The proposed high-resolution photon-counting detector with energy-resolving capability can be of importance for several image-guided interventional procedures as well as for pediatric applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

RNA-seq latent featurizer using center loss cost function

Predictive modeling of patient tumor growth response to drug treatment is severely limited by a lack of experimental data for training. Combining experimental data from several studies is an attractive approach, but presents two problems: batch effects and limited data for individual drugs and cell lines. Batch effects are caused by systematic procedural differences among studies, which causes systematic experimental outcome differences. Directly using these experimental results as features for machine learning commonly causes problems when training on one study and testing on another. This severely limits a model's ability to perform well on new experiments. Even after combining studies, predicting outcomes on new patient tumors remains an open challenge. We propose a semi-supervised, autoencoder-based, machine learning procedure, which learns a smaller set of gene expression features that are robust to batch effects using background information on a cell line or tissue's tumor type. We implemented this reduced feature representation and show that the new feature space clusters strongly according to tumor type. This experiment is carried out across multiple studies: CCLE, CTRP, gCSI, GDSC, NCI60, and patient derived tumors. We hypothesize that using a batch effect resistant feature set across studies will improve prediction performance. Genome Data Commons (GDC) gene expression profiles for publicly available human tissues and cell lines from NCI60 and CCLE were processed using the semi-supervised learning procedure. Our autoencoder repurposes the 'center loss' (CL) cost function of Wen et. al. to learn a more generalized set of features using the cell line or tissue's tumor type.

He, Stewart↗

Accuracy of Length of Virtual Stents in Treatment of Intracranial Wide-Necked Aneurysms

Background and Purpose: Precise stent deployment is important for successful treatment of intracranial aneurysms by stent-assisted coiling (SAC). We evaluated the accuracy of virtual stents generated using commercial stent planning software by comparing the length of virtual and actually deployed intracranial laser cut stents on three-dimensional digital subtraction angiography (3D-DSA) images. Methods: We retrospectively analyzed the data of 75 consecutive cases of intracranial wide-necked aneurysms treated with the SAC technique using laser cut stents. Based on 3D-DSA images acquired by C-arm CT, stent sizing and placement were intraoperatively simulated by a commercial software application. The difference in length of the stents was estimated by measuring proximal discrepancies between the end points of the virtual and actually deployed stents on fused pre-procedural and post-procedural 3D-DSA images. Discrepancies between distal stent end points were manually minimized. The Kruskal–Wallis test was applied to test whether stent location, type, and length had an effect on difference in length between virtual and real stent. Results: The median difference in length between virtual and real stents was 1.58 mm with interquartile range 1.12–2.12 mm. There was no evidence for an effect of stent location (p = 0.23), stent type (p = 0.33), or stent length (p = 0.53) on difference in length between virtual and real stents. Conclusions: Stent planning software allows 3D simulation of laser cut stents overlain on 3D-DSA images of vessels and may thus be useful for stent selection and deployment of laser cut stents during stent-assisted coiling of intracranial aneurysms.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Numerical simulations of yield-based sooting tendencies of aromatic fuels using ReaxFF molecular dynamics

In this work, we present the first ReaxFF Molecular Dynamics (MD) simulations to quantitatively predict the sooting tendencies of various fuels. The specific sooting tendency metric used in this work is the Yield Sooting Index (YSI), which quantifies the effects of fuel molecular structure on soot yield. YSI has been experimentally measured and numerically simulated using computational fluid dynamics for a large range of fuels, but there is no existing reactive MD framework for YSI simulations. To adopt the experimental YSI concept, a multi-stage simulation procedure is designed using ReaxFF. As a proof-of-concept, toluene and phenol are selected as test fuels, since both have relatively well-understood reaction pathways. The ReaxFF YSI simulations are shown to capture key reaction events for both fuels selected that are consistent with existing chemical kinetic understanding. Toluene is shown to mostly retain its original aromatic ring structure and directly grow to larger aromatic compounds with multiple rings. On the other hand, the aromatic growth process from phenol is accompanied by carbon-loss reactions with CO release. In addition, a quantitative YSI formulation is also derived in ReaxFF and the ReaxFF-predicted YSI values are compared with measurement data and reasonably good agreement is achieved. The results reported in this work demonstrates that the ReaxFF-based framework can potentially be used to quantitatively predict the relative sooting tendencies, especially for fuels with unknown or poorly-known chemistry, to understand their sooting properties and in search for soot relevant reaction pathways from these fuels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploring electrolyte preference of vanadium nitride supercapacitor electrodes

Highlights: • Hierarchical VN nanostructures were prepared on graphite foam. • Electrolyte preference of VN supercapacitor electrodes was explored. • VN showed better capacitive property in organic and alkaline electrolytes than LiCl. - Abstract: Vanadium nitride hierarchical nanostructures were prepared through an ammonia annealing procedure utilizing vanadium pentoxide nanostructures grown on graphite foam. The electrochemical properties of hierarchical vanadium nitride was tested in aqueous and organic electrolytes. As a result, the vanadium nitride showed better capacitive energy storage property in organic and alkaline electrolytes. This work provides insight into the charge storage process of vanadium nitride and our findings can shed light on other transition metal nitride-based electrochemical energy storage systems.

36 MATERIALS SCIENCE↗

Multi-pitch nano-accuracy surface profiler for strongly curved X-ray mirror metrology

We present our recent research and development effort on the Multi-Pitch Nano-accuracy Surface Profiler (MPNSP). This metrology instrument is developed to characterize strongly curved X-ray mirrors proposed to achieve diffraction-limited soft X-ray focusing for scientific applications at the synchrotron beamlines. The measurement process consists of forward-and-backward scans on the test mirror surface along its tangential direction at multiple pitch angles. Our research and development in this work aim to take the challenge of measuring strongly curved X-ray mirrors with a typical total slope range ≳10 mrad, while maintaining the Root Mean Square (RMS) value of measurement repeatability and self-consistency at 50 nrad RMS level. We first introduce the mechanical design, followed by a brief review of the mathematical model and the optimization algorithm for the MPNSP technique. By detecting the rotation axis of the mirror pitch with a machine vision approach, we can determine and then reduce the vertical distance between the pitch rotation axis and the test mirror surface to a sub-mm level. In addition, we describe a practical data acquisition procedure for strongly curved X-ray mirrors with a total slope range larger than the slope measuring range of the autocollimator used in the instrument. As a result, the proposed MPNSP measurements with different mirror orientations achieve remarkable self-consistency and reproducibility of < 50 nrad RMS in slope and < 0.5 nm RMS in height.

42 ENGINEERING↗

The LSST DESC data challenge 1: generation and analysis of synthetic images for next-generation surveys

Data Challenge 1 (DC1) is the first synthetic data set produced by the Rubin Observatory Legacy Survey of Space and Time (LSST) Dark Energy Science Collaboration (DESC). DC1 is designed to develop and validate data reduction and analysis and to study the impact of systematic effects that will affect the LSST data set. DC1 is comprised of r -band observations of 40 deg 2 to 10 yr LSST depth. In this paper, we present each stage of the simulation and analysis process: (a) generation, by synthesizing sources from cosmological N -body simulations in individual sensor-visit images with different observing conditions; (b) reduction using a development version of the LSST Science Pipelines; and (c) matching to the input cosmological catalogue for validation and testing. We verify that testable LSST requirements pass within the fidelity of DC1. We establish a selection procedure that produces a sufficiently clean extragalactic sample for clustering analyses and we discuss residual sample contamination, including contributions from inefficiency in star–galaxy separation and imperfect deblending. We compute the galaxy power spectrum on the simulated field and conclude that: (i) survey properties have an impact of 50 per cent of the statistical uncertainty for the scales and models used in DC1; (ii) a selection to eliminate artefacts in the catalogues is necessary to avoid biases in the measured clustering; and (iii) the presence of bright objects has a significant impact (2σ–6σ) in the estimated power spectra at small scales (ℓ > 1200), highlighting the impact of blending in studies at small angular scales in LSST.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

COMPASO : A new halo finder for competitive assignment to spherical overdensities

We describe a new method (compaso) for identifying groups of particles in cosmological N-body simulations. compaso builds upon existing spherical overdensity (SO) algorithms by taking into consideration the tidal radius around a smaller halo before competitively assigning halo membership to the particles. In this way, the compaso finder allows for more effective deblending of haloes in close proximity as well as the formation of new haloes on the outskirts of larger ones. This halo-finding algorithm is used in the abacussummit suite of N-body simulations, designed to meet the cosmological simulation requirements of the Dark Energy Spectroscopic Instrument (DESI) survey. compaso is developed as a highly efficient on-the-fly group finder, which is crucial for enabling good load-balancing between the GPU and CPU and the creation of high-resolution merger trees. In this paper, we describe the halo-finding procedure and its particular implementation in abacus, accompanying it with a qualitative analysis of the finder. We test the robustness of the compaso catalogues before and after applying the cleaning method described in an accompanying paper and demonstrate its effectiveness by comparing it with other validation techniques. We then visualize the haloes and their density profiles, finding that they are well fit by the NFW formalism. Finally, we compare other properties such as radius–mass relationships and two-point correlation functions with that of another widely used halo finder, rockstar.

79 ASTRONOMY AND ASTROPHYSICS↗

A Fast Solver for Implicit Integration of the Vlasov--Poisson System in the Eulerian Framework

In this paper, we present a domain decomposition algorithm to accelerate the solution of Eulerian-type discretizations of the linear, steady-state Vlasov equation. The steady-state solver then forms a key component in the implementation of fully implicit or nearly fully implicit temporal integrators for the nonlinear Vlasov--Poisson system. The solver relies on a particular decomposition of phase space that enables the use of sweeping techniques commonly used in radiation transport applications. The original linear system for the phase space unknowns is then replaced by a smaller linear system involving only unknowns on the boundary between subdomains, which can then be solved efficiently with Krylov methods such as GMRES. Steady-state solves are combined to form an implicit Runge--Kutta time integrator, and the Vlasov equation is coupled self-consistently to the Poisson equation via a linearized procedure or a nonlinear fixed-point method for the electric field. Finally, numerical results for standard test problems demonstrate the efficiency of the domain decomposition approach when compared to the direct application of an iterative solver to the original linear system.

97 MATHEMATICS AND COMPUTING↗

SSHAC Level 1 Probabilistic Seismic Hazard Analysis for the Idaho National Laboratory

A Probabilistic Seismic Hazard Analysis (PSHA) was completed for the Materials and Fuels Complex (MFC), Naval Reactors Facility (NRF), and the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) (Figure 1-1). The PSHA followed the approaches and procedures appropriate for a Study Level 1 provided in the guidance advanced by the Senior Seismic Hazard Analysis Committee (SSHAC) in U.S. Nuclear Regulatory Commission (NRC) NUREG/CR-6372 and NUREG-2117 (NRC, 1997; 2012a). The SSHAC Level 1 PSHAs for MFC and ATR were conducted as part of the Seismic Risk Assessment (SRA) project (INL Project number 31287) to develop and apply a new-risk informed methodology, respectively. The SSHAC Level 1 PSHA was conducted for NRF to provide guidance on the potential use of a design margin above rock hazard levels. The SRA project is developing a new risk-informed methodology that will provide a systematic approach for evaluating the need for an update of an existing PSHA. The new methodology proposes criteria to be employed at specific analysis, decision, or comparison points in its evaluation process. The first four of seven criteria address changes in inputs and results of the PSHA and are given in U.S. Department of Energy (DOE) Standard, DOE-STD-1020-2012 (DOE, 2012a) and American National Standards Institute/American Nuclear Society (ANSI/ANS) 2.29 (ANS, 2008a). The last three criteria address evaluation of quantitative hazard and risk-focused information of an existing nuclear facility. The seven criteria and decision points are applied to Seismic Design Category (SDC) 3, 4, and 5, which are defined in American Society of Civil Engineers/Structural Engineers Institute (ASCE/SEI) 43-05 (ASCE, 2005). The application of the criteria and decision points could lead to an update or could determine that such update is not necessary.

58 GEOSCIENCES↗