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Towards a Heterogeneous, Polystore-like Data Architecture for the US Department of Veteran Affairs (VA) Enterprise Analytics

The Polystore architecture revisits the federated approach to access and querying of the standalone, independent databases in the uniform and optimized fashion, but this time in the context of heterogeneous data and specialized analyses. In the light of this architectural philosophy, and in the light of the major data architecture development efforts at the US Department of Veterans Administration (VA), we discuss the need for the heterogeneous data store consisting of the large relational data warehouse, an image and text datastore, and a peta-scale genomic repository. The VA's heterogeneous datastore would, to a larger or smaller degree, follow the architectural blueprint proposed by the polystore architecture. To this end, we discuss the current state of the data architecture at VA, architectural alternatives for development of the heterogeneous datastore, the anticipated challenges, and the drawbacks and benefits of adopting the polystore architecture.

Federated Databases↗

A low-luminosity core-collapse supernova very similar to SN 2005cs

ABSTRACT We present observations and analysis of PSN J17292918+7542390, a low-luminosity Type II-P supernova (LL SN IIP). The observed sample of such events is still low, and their nature is still under debate. Such SNe are similar to SN 2005cs, a well-observed LL Type II-P event, having low expansion velocities, and small ejected 56Ni mass. We have developed a robust and relatively fast Monte Carlo code that fits semi-analytic models to light curves of core-collapse SNe. This allows the estimation of the most important physical parameters, like the radius of the progenitor star, the mass of the ejected envelope, the mass of the radioactive nickel synthesized during the explosion, among others. PSN J17292918+7542390 has $R_0 = 91_{-70}^{+119} \times 10^{11} \, \text{cm}$, $M_\text{ej} = 9.89_{-1.00}^{+2.10} \, \mathrm{ M}_{\odot }$, $E_{\mbox{kin}} = 0.65_{-0.18}^{+0.19} \, \text{foe}$, and $v_{\mbox{exp}} = 3332_{-347}^{+216}$ km s−1, for its progenitor radius, ejecta mass, kinetic energy, and expansion velocity, respectively. The initial nickel mass of the PSN J17292918+7542390 turned out to be $1.55_{-0.70}^{+0.75} \times 10^{-3} \, \mathrm{M}_{\odot }$. The measured photospheric velocity at the earliest observed phase is 7000 km s−1. As far as we can tell based on the small population of observed LL SNe IIP, the determined values are typical for these events.

Jäger, Jr, Zoltán↗

The expressivity of classical and quantum neural networks on entanglement entropy

Abstract Analytically continuing the von Neumann entropy from Rényi entropies is a challenging task in quantum field theory. While then-th Rényi entropy can be computed using the replica method in the path integral representation of quantum field theory, the analytic continuation can only be achieved for some simple systems on a case-by-case basis. In this work, we propose a general framework to tackle this problem using classical and quantum neural networks with supervised learning. We begin by studying several examples with known von Neumann entropy, where the input data is generated by representing$${\text {Tr}}\rho _A^n$$ Tr ρ A n with a generating function. We adopt KerasTuner to determine the optimal network architecture and hyperparameters with limited data. In addition, we frame a similar problem in terms of quantum machine learning models, where the expressivity of the quantum models for the entanglement entropy as a partial Fourier series is established. Our proposed methods can accurately predict the von Neumann and Rényi entropies numerically, highlighting the potential of deep learning techniques for solving problems in quantum information theory.

Physics↗

Remediation Guidance for Major Airports after a Bioterrorist Attack

This document provides general guidelines for airport managers, local officials, and other stakeholders for developing a response and recovery plan for a major airport following the release of a biological warfare agent, with specific guidance for remediation. San Francisco International Airport was selected as the example airport during development of the guidance to illustrate specific details. The spore-forming bacterium Bacillus anthracis was selected as the biological agent of primary concern because it is the most difficult of known bioterrorism agents to inactivate and is considered to be one of the agents most likely to be used as a biological weapon. The focus of the guidance is on cleanup and disposal activities associated with the Characterization, Decontamination, and Clearance Phases that are defined herein. Activities associated with the Notification and First-Response Phases are brieÀy discussed in Appendixes A and B, respectively. In addition to the main text of this Remediation Guidance document and associated appendixes, a data supplement was developed specifically for San Francisco International Airport. Requests for the data supplement must be made directly to the Emergency Planning Operations Division of San Francisco International Airport. This document does not describe public health responses to release of a biological warfare agent. If laboratory analytical results confirm the presence of a biological agent, the responsible public health agency involved in the response will commence appropriate public health actions, such as treatment (CDC 2004) and decontamination of potentially contaminated individuals, distribution of prophylaxis, and medical examinations. See the Centers for Disease Control and Prevention web site for more information on emergency public health responses (http://www.bt.cdc.gov/). Effective communication with the media and the public is an essential component of airport remediation and recovery. Whereas such communication is beyond the scope of this document, many helpful resources are available. (See Section 1.1 for more information.) The concept of operations described in this document for cleanup of a Bacillus anthracis release at a major airport conforms to the National Response Framework (NRF) (DHS 2008) and implementation of the National Incident Management System (NIMS 2004). In most cases, a Unified Command would be formed to direct the cleanup process jointly and to take ultimate responsibility for all cleanup decisions. The Unified Command would likely include the Airport Manager or Airport Emergency Operations Manager, representatives from state and local public health and emergency management agencies, and Federal agencies, such as the U.S. Environmental Protection Agency. The Unified Command and Incident Command Staff would ideally be co-located in an Incident Command Post in an uncontaminated area of the airport. If a release is large or complex, co-location of all key players may not be possible. If a major incident is declared, a Principal Federal Official may be appointed by the Department of Homeland Security to facilitate Federal support to the Unified Command. In some facilities and jurisdictions, additional response plans or procedures (such as BioWatch or other emergency response plans, procedures, or protocols) may govern notification and first response. Facility personnel, responders, and emergency management coordinators should be aware of all applicable plans and procedures and how to implement them. Cleanups following the anthrax attacks of 2001 in the U.S. pre-dated the NRF and NIMS and did not make use of a NIMS Incident Command System as we know it today. Most Incident Commanders for the larger of those cleanups chose to convene a Technical Working Group (TWG) of multi-agency, multi-disciplinary, outside experts to advise in developing sampling and decontamination plans. Most of the Incident Commanders also convened a separate Environmental Clearance Committee (ECC) to independently review pre- and post decontamination sampling data as well as data on decontamination parameters, to evaluate whether the decontamination was effective, and to add credibility regarding a decision that decontaminated areas may be reoccupied. Use of such specialized technical expertise is strongly recommended, although it would now operate within the construct of the NIMS Incident Command System. The TWG, if convened, would act in an advisory capacity to the Environmental Unit within the Planning Section. Likewise, the ECC, if convened, would provide independent peer review of products and recommendations by the Environmental Unit. For maximum impartiality, the ECC could also provide recommendations directly to the Unified Command. Cleanup activities commence with site characterization. The principal goal of characterization is to define the extent of contamination and to gather information needed to design the decontamination approach. Initial sampling data collected by first responders are assessed to approximate the location(s) of contamination. Confirmation of the agent type and viability is obtained from a Laboratory Response Network laboratory. Additional characterization data are collected to determine the extent of contamination and where decontamination actions are needed. Areas suspected of being contaminated are contained and isolated to the degree possible to prevent further movement of an agent to uncontaminated areas or the environment, and to reduce the potential for future exposure from the agent or fumigant, if fumigation is needed. Agent air monitoring in areas adjacent to the contained contamination zones is done to ensure the protection of remediation personnel and to monitor any release from the contained zones. Various sampling approaches are considered. For example, wipe samples can be used to sample hard, nonporous surfaces. Swab samples can be used to sample nooks, crannies, joints, and seams. Appendix I is a template for preparing an incident-specific, operational characterization plan. Upon completion of the characterization plan, an internal review is initiated. Upon approval of the plan by the Unified Command, characterization commences. The Site Safety Officer develops a Health and Safety Plan to ensure that coordinated health and safety measures are in place for all responding personnel. This plan describes physical, chemical, and biological hazards at the site, personal protective equipment, personal decontamination procedures, and emergency procedures to be used by sampling and remediation personnel. An incident-specific Remediation Action Plan is developed, which describes the decontamination methods to be used and other details, including waste disposal. Under NIMS, this overall plan, as well as other plans described below, are implemented through a series of standardized, shorter-term Incident Action Plans, which describe specific activities that will take place during a shift or a day. The template in Appendix J is designed to facilitate preparation of the Remediation Action Plan. If fumigation will be done, a Sampling and Analysis Plan will be needed, as well as an Ambient Air Monitoring Plan, which can be a component of the Remediation Action Plan. These three plans are needed to obtain a crisis exemption from the U.S. Environmental Protection Agency for authorized use of an unregistered sterilant or pesticide during cleanup. If pesticide products become registered for inactivation of B. anthracis in the future, the three plans will likely be required by the product’s labeling, but the plans would no longer be submitted to the U.S. Environmental Protection Agency for approval; rather, the Incident Commander would approve them. If fumigation is used, an Emergency Response Plan is also recommended, although such a plan is not required for a crisis exemption. For some nonpersistent biological warfare agents, natural attenuation may be an adequate decontamination option. In cases where contamination is not extensive or an agent is not persistent, application of surface decontaminants or other methods of medical infection control may be effective. For extensive contamination by persistent agents, such as Bacillus anthracis, fumigation may be necessary. In those cases, the Decontamination Phase commences with source reduction, such as pre-cleaning surfaces to reduce the contaminant load. To expedite cleanup and prevent costs from escalating unnecessarily, a cost–benefit analysis should be incorporated in the decision process related to retention versus disposal of facility items and materials. Certain materials and structural components can be decontaminated for reuse, but it may not be feasible or cost-effective to decontaminate other items. Those items must be pre-treated, packaged (with the package decontaminated externally), and removed for disposal as waste. Site preparation includes sealing openings to prevent leaks and setting up equipment. Decontamination reagents and delivery systems are selected, and pre-testing all systems is done before carrying out chemical treatment(s). The important choice of decontamination technologies depends on characteristics of the agent, the nature and extent of contamination, and other site parameters identified during characterization. Decontamination-related decisions can have a major impact on waste-disposal costs, and it is necessary to develop a disposal plan that identifies a means of disposal, necessary approvals, transportation, and other details. A clearance strategy is developed to ensure that after decontamination, the risk of exposure to residual contamination is negligible. A clearance sampling plan is developed, which sets clearance criteria, specifies how to determine whether the criteria have been met, and describes how and where to collect clearance samples after decontamination. In most cases, clearance sampling includes both surface and aggressive air samples. Appendix K is a clearance plan template that identifies the types of required information. To determine whether the decontaminated area may be reoccupied, the Environmental Unit (and the ECC separately, if one is convened) evaluates the results of clearance samples. For the anthrax incidents to date, and given methods that have been used, cleanup was considered successful only when there was no growth of B. anthracis cultured from any environmental samples taken after decontamination. Other factors that will be considered include the decontamination process parameters (e.g., temperature, relative humidity, decontaminant concentration, and contact time) and the results from post-decontamination culture of biological indicators that may have been used during fumigation or sterilization processes. From such an evaluation the Environmental Unit or ECC, or both, recommend whether the area may be reoccupied, or whether further decontamination is necessary. The UC makes the final decision that a facility is appropriately decontaminated for reoccupancy. The facility owner or responsible public health agency makes the final decision to reopen a decontaminated facility. A theme that is emphasized throughout this document is that many activities can greatly reduce the time required to restore airport operations if those activities are conducted prior to an actual release of biological warfare agent. A summary of specific resources (such as Federal, state, and local agency contacts; contractors; prospective team members; subject-matter experts; laboratory facilities; and other entities) that should be identified in advance by airport officials is provided in each pertinent section of this document, and summary contact lists of such resources are provided in Appendix L. A summary of overall pre-planning actions that should be completed by airport officials is presented at the end of this document.

59 BASIC BIOLOGICAL SCIENCES↗

Rotational Modulation of à 2 A State Photodissociation of HCO via Renner-Teller Nonadiabatic Transitions

By examining the product-state distribution of a prototypical non- adiabatic predissociation system, HCO($Ã^2A''–\tilde X^2A'$), we demonstrate here that the dissociation dynamics is strongly modulated by parent rotational quantum numbers. The predissociation of the nominal ($ν_{\text{C–H}} = 0, ν_{\text{bend}}, ν_{\text{C–O}} = 1$) vibronic levels of the $AÃ^2A''$ state surprisingly gives rise to both vibrational ground and excited states of the CO product, despite the assumed spectator nature of the CO moiety. This anomaly is attributed to the dependence of the lifetime of the vibronic resonance facilitated by the Renner–Teller interaction on the parent rotational angular momentum quantum numbers coupled with transient intensity borrowing from nearby vibronic resonances with $ν_{\text{C–O}} = 0$. This unique phenomenon is a purely quantum mechanical behavior that has no classical analogue.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MO-F-16A-02: Simulation of a Medical Linear Accelerator for Teaching Purposes

Purpose: Detailed functioning of linear accelerator physics is well known. Less well developed is the basic understanding of how the adjustment of the linear accelerator's electrical components affects the resulting radiation beam. Other than the text by Karzmark, there is very little literature devoted to the practical understanding of linear accelerator functionality targeted at the radiotherapy clinic level. The purpose of this work is to describe a simulation environment for medical linear accelerators with the purpose of teaching linear accelerator physics. Methods: Varian type lineacs were simulated. Klystron saturation and peak output were modelled analytically. The energy gain of an electron beam was modelled using load line expressions. The bending magnet was assumed to be a perfect solenoid whose pass through energy varied linearly with solenoid current. The dose rate calculated at depth in water was assumed to be a simple function of the target's beam current. The flattening filter was modelled as an attenuator with conical shape, and the time-averaged dose rate at a depth in water was determined by calculating kerma. Results: Fifteen analytical models were combined into a single model called SIMAC. Performance was verified systematically by adjusting typical linac control parameters. Increasing klystron pulse voltage increased dose rate to a peak, which then decreased as the beam energy was further increased due to the fixed pass through energy of the bending magnet. Increasing accelerator beam current leads to a higher dose per pulse. However, the energy of the electron beam decreases due to beam loading and so the dose rate eventually maximizes and the decreases as beam current was further increased. Conclusion: SIMAC can realistically simulate the functionality of a linear accelerator. It is expected to have value as a teaching tool for both medical physicists and linear accelerator service personnel.

43 PARTICLE ACCELERATORS↗

Gradient-based optimization of 3D MHD equilibria

Using recently developed adjoint methods for computing the shape derivatives of functions that depend on magnetohydrodynamic (MHD) equilibria (Antonsen et al. , J. Plasma Phys. , vol. 85, issue 2, 2019; Paul et al. , J. Plasma Phys. , vol. 86, issue 1, 2020), we present the first example of analytic gradient-based optimization of fixed-boundary stellarator equilibria. We take advantage of gradient information to optimize figures of merit of relevance for stellarator design, including the rotational transform, magnetic well and quasi-symmetry near the axis. With the application of the adjoint method, we reduce the number of equilibrium evaluations by the dimension of the optimization space ( ${\sim }50\text {--}500$ ) in comparison with a finite-difference gradient-based method. We discuss regularization objectives of relevance for fixed-boundary optimization, including a novel method that prevents self-intersection of the plasma boundary. We present several optimized equilibria, including a vacuum field with very low magnetic shear throughout the volume.

Physics↗

Estimation of Melting-Layer Cooling Rate from Dual-Polarization Radar: Spectral Bin Model Simulations

Diabatic cooling from hydrometeor phase changes in the stratiform melting layer is of great interest to both operational forecasters and modelers for its societal and dynamical consequences. Attempts to estimate the melting-layer cooling rate typically rely on either the budgeting of hydrometeor content estimated from reflectivity Z or model-generated lookup tables scaled by the magnitude of Z in the bright band. Recent advances have been made in developing methods to observe the unique polarimetric characteristics of melting snow and the additional microphysical information they may contain. However, to date no work has looked at the thermodynamic information available from the polarimetric radar brightband signature. In this study, a one-dimensional spectral bin model of melting snow and a coupled polarimetric operator are used to study the relation between the polarimetric radar bright band and the melting-layer cooling rate. Simulations using a fixed particle size distribution (PSD) and variable environmental conditions show that the height and thickness of the bright band and the maximum brightband Z and specific differential phase shift [Formula: see text] are all sensitive to the ambient environment, while the differential reflectivity [Formula: see text] is relatively insensitive. Additional simulations of 2700 PSDs based on in situ observations above the melting layer indicate that the maximum Z, [Formula: see text], and [Formula: see text] within the melting layer are poorly correlated with the maximum cooling rate while [Formula: see text] is strongly correlated. Finally, model simulations suggest that, in addition to riming, concurrent changes in aggregation and precipitation intensity and the associated cooling may plausibly cause observed sagging brightband signatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Force-Modulated Selectivity of the Rhodium-Catalyzed Hydroformylation of 1-Alkenes

Here we quantify the regio- chemo-, and enantioselectivity of the hydroformylation of 1-alkenes catalyzed by Rh(I) complexes containing chiral macrocyclic biaryl bis(phosphine) ligands as a function of mechanical force applied to the biaryl backbone of these ligands. Extension forces increase the regioselectivity of the hydroformylation of 1-octene from l:b = 1.2 to 1.9 and decrease the chemoselectivity for C 9 aldehyde relative to 2-octene from 96% to 20% across a ~230 pN change in applied force. Extension forces decrease the enantioselectivity of the hydroformylation of styrene from 28% to 18% ee across a similar force range. Variable temperature 1 H and 31 P NMR analysis of five-coordinate rhodium complexes of the form (P–P)Rh(CO) 2 H established structures in which the bisphosphine ligand occupies one equatorial and one apical position in the trigonal bipyramid with rapid interconversion of the equatorial and apical phosphorus atoms ($ΔG^‡_{223 \text{K}}$ = 9.6–9.9 kcal/mol). Neither the isomeric composition nor fluxional behavior of these complexes was detectably perturbed across a ~300 pN change in applied force.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Complete collision data set for electrons scattering on molecular hydrogen and its isotopologues: I. Fully vibrationally-resolved electronic excitation of H 2 $X^1Σ^+_g)$

Here, we present a comprehensive set of vibrationally-resolved cross sections for electron-impact electronic excitation of molecular hydrogen suitable for implementation in collisional-radiative models. The adiabatic-nuclei molecular convergent close-coupling method is used to calculate cross sections for excitation of all bound vibrational levels and dissociative excitation of the B 1 Σ u + , C 1 Π u , E F 1 Σ g + , B ′ 1 Σ u + , G K 1 Σ g + , I 1 Π g , J 1 Δ g , D 1 Π u , H 1 Σ g + , b 3 Σ u + , c 3 Π u , a 3 Σ g + , e 3 Σ u + , d 3 Π u , h 3 Σ g + , g 3 Σ g + , i 3 Π g , and j 3 Δ g electronic states from all –14 bound vibrational levels of the ground electronic ($\text{X}$ $^1&#x3A3^+_g$) state. The data set consists of cross sections from threshold to 500 eV for over 5000 transitions, representing all possible electronic and vibrational transitions between the state and the –3 singlet and triplet states (where refers to the united-atoms-limit principle quantum number). The cross sections are presented in graphical form and provided as both numerical values and analytic fit functions in supplementary data files.

74 ATOMIC AND MOLECULAR PHYSICS↗

Enabling the democratization of the genomics revolution with a fully integrated web-based bioinformatics platform, Version 1.5 and 1.x.

EDGE bioinformatics was developed to help biologists process Next Generation Sequencing data (in the form of raw FASTQ files), even if they have little to no bioinformatics expertise. EDGE is a highly integrated and interactive web-based platform that is capable of running many of the standard analyses that biologists require for viral, bacterial/archaeal, and metagenomic samples. EDGE provides the following analytical workflows: quality trimming and host removal, assembly and annotation, comparisons against known references, taxonomy classification of reads and contigs, whole genome SNP-based phylogenetic analysis, and PCR analysis. EDGE provides an intuitive web-based interface for user input, allows users to visualize and interact with selected results (e.g. JBrowse genome browser), and generates a final detailed PDF report. Results in the form of tables, text files, graphic files, and PDFs can be downloaded. A user management system allows tracking of an individual’s EDGE runs, along with the ability to share, post publicly, delete, or archive their results.

Chain, Patrick↗

Stochastic Neutronics Primer (Volume I)

The purpose of this document is to introduce the elementary concepts and to build a concrete understanding of the stochastic theory of neutron transport to the motivated undergraduate student, the Ph.D. engineer/physicist/mathematician, and the staff scientist or professor learning yet another new skill. The authors understand that there are many learning types- from visual to analytical to repetitive to word-based to analogy-based (and combinations thereof)- and so we have tasked ourselves with providing as many representations as possible within to ensure every reader a fruitful endeavor. This document is written as a set of chapters that continually build upon the previous chapter. In this chapter, we provide the discussion, motivation, and background topics for the remainder of the text.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Enabling the democratization of the genomics revolution with a fully integrated web-based bioinformatics platform, Version 1.5 and 1.x.

EDGE bioinformatics was developed to help biologists process Next Generation Sequencing data (in the form of raw FASTQ files), even if they have little to no bioinformatics expertise. EDGE is a highly integrated and interactive web-based platform that is capable of running many of the standard analyses that biologists require for viral, bacterial/archaeal, and metagenomic samples. EDGE provides the following analytical workflows: quality trimming and host removal, assembly and annotation, comparisons against known references, taxonomy classification of reads and contigs, whole genome SNP-based phylogenetic analysis, and PCR analysis. EDGE provides an intuitive web-based interface for user input, allows users to visualize and interact with selected results (e.g. JBrowse genome browser), and generates a final detailed PDF report. Results in the form of tables, text files, graphic files, and PDFs can be downloaded. A user management system allows tracking of an individual’s EDGE runs, along with the ability to share, post publicly, delete, or archive their results.

Chain, Patrick↗

Natural Language Processing for Text Based Event Extraction: Identifying Events of Interest Related to Worldwide State-Sponsored Civil Nuclear Power

Beginning in FY20, SRNL was funded by the National Nuclear Security Administration’s Office of Defense Nuclear Non-Proliferation Research and Development to develop a prototype natural language processing/natural language understating machine learning-based modeling and analysis pipeline to extract and forecast events of interest from massive open data sources. The working hypothesis within the approach is that contextual shifts in key words and phrases act as indicators of events of interest over time. Therefore, by identifying points in time where contextual shifts occur, events of interest can be extracted along with explicit and implicit connections of entities and activities. The development of the preliminary prototype pipeline proved successful, meriting further testing of the pipeline on more broad topical domains and in a worldwide data environment. Therefore, SRNL, in collaboration with the Sanghani Center for Artificial Intelligence and Data Analytics at Virginia Tech, have continued development with a test case of identifying events of interest related to worldwide state-sponsored civil nuclear power in open data sources. In the first year of this follow-on effort, the team has curated domain-specific data corpuses using an automated scheme and applied the modeling and analysis pipeline. This robust, focused, and efficient approach consists of an ensemble of analyses applied to time dependent word embedding models that are trained on the data corpuses. In this report, the team has demonstrated the capability of the existing pipeline (as development has continued in parallel) by exploring several specific case-studies centered around Rosatom’s international activities regarding the planning, construction, operation, and/or shutdown of nuclear reactors. A basic timeline events has been generated by manually cataloging known “milestone” events that have occurred at reactors in Turkey, Finland, Hungary, and Egypt and compared with the output of the modeling pipeline. In this approach, the team has characterized the lead time using the prototype pipeline, as well as the ability to capture relevant information, which proved 100% successful. A deep dive example of the Akkuyu reactor (Turkey) is presented that shows the breadth of information that can be captured using the approach. In this case study, events were extracted pertaining to the planning/construction of Akkuyu including protests from the population, information campaigns in response to the protests, forged regulatory documents and lawsuits, budgetary/shareholder information, geopolitical tensions, and the various construction milestones. This has demonstrated the pipeline’s utility as a research aid or real-time event extraction tool, where summary-level information and detailed text extractions from millions of articles or Tweets across long time periods can be generated with significantly less effort than current techniques.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Gamma-ray Exportable Adjustable Spectrum Evolution

An initial number of fissions on a fissile/fissionable material, defined by ENDF library availability, is used to produce an initial inventory of fission products (FPs). The FPs are decayed using full, analytical solutions to the Bateman equations to calculate the FP inventory at a user-specified time. The radiation detector, a high-purity germanium (HPGe) detector, has been modeled using every gamma-ray in the ENDF/TENDL libraries individually, and the modeled response can be multiplied by the activity of each fission product to determine a full, energy dependent detector response, including dead time. The detector response can be output as a PeakEasy (.spe) file, or as a text file. Since each radioisotope's inventory is known, the proportion to the total may be shown for each isotope, as well as many radionuclides in a user-specified energy window. Full execution and display of results takes 1-3 seconds, depending on the complexity of the input parameters.

Holschuh, ThomasV [Idaho National Laboratory (INL)↗

Interactive Visualizations for Communicating Compliance and Sustainability Statements in Annual Site Environmental Reports - 20419

The annual reports of organizations are a recurring type of public disclosure that communicates what an organization has done and/or plans to do. Worldwide, organizations use annual reports as powerful instruments for communication that is rich in narrative content and visuals. From the perspective of the leadership of an organization, statutory annual reports are communication devices to stakeholders. By analogy, from the perspective of stakeholders, the annual reports are learning devices that presents stakeholders with contents to generate knowledge about an organization. We have chosen the online accessible U.S. Department of Energy (DOE) Annual Site Environmental Reports (ASERs) as a collection of resources for communicating and learning the environmental management strategies on environmental compliance and environmental sustainability. Environmental Compliance 'consists of regulatory compliance and monitoring programs that implement federal, state, and local requirements, agreements, and permits.' Environmental Sustainability 'promotes and integrates initiatives such as energy and natural resource conservation, waste minimization, green remediation, and the use of sustainable products and services.' Interactive visualizations of textual data designed with visual analytics software can allow stakeholders to interact with statements on the environmental management strategies by performing diverse actions that promote learning. These actions include annotating, comparing, filtering, navigating, selecting and sharing relevant statements. We expect that the possibility of these multiple actions in an interactive manner help stakeholders to learn more effectively about the environmental strategies at U.S. DOE sites. The current case study for the project is a collection of 1,894 annotated (value-added) statements (sentence text) from the eight chapters of the 2017 Savanah River Site (SRS) annual site environmental report. The preliminary interactive visualizations are available online. (authors)

54 ENVIRONMENTAL SCIENCES↗

The Bloch equation for spin dynamics in electron storage rings: Computational and theoretical aspects

In this paper, we describe our work on spin polarization in high-energy electron storage rings which we base on the Full Bloch equation (FBE) for the polarization density and which aims towards the [Formula: see text] option of the proposed Future Circular Collider (FCC-ee) and the proposed Circular Electron Positron Collider (CEPC). The FBE takes into account non spin-flip and spin-flip effects due to synchrotron radiation including the spin-diffusion effects and the Sokolov–Ternov effect with its Baier–Katkov generalization as well as the kinetic-polarization effect. This mathematical model is an alternative to the standard mathematical model based on the Derbenev–Kondratenko formulas. For our numerical and analytical studies of the FBE, we develop an approximation to the latter to obtain an effective FBE. This is accomplished by finding a third mathematical model based on a system of stochastic differential equations (SDEs) underlying the FBE and by approximating that system via the method of averaging from perturbative ODE theory. We also give an overview of our algorithm for numerically integrating the effective FBE. This discretizes the phase space using spectral methods and discretizes time via the additive Runge–Kutta (ARK) method which is a high-order semi-implicit method. We also discuss the relevance of the third mathematical model for spin tracking.

Physics↗