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Progress and plan of KSTAR plasma control system upgrade

The plasma control system (PCS) has been one of essential systems in annual KSTAR plasma campaigns: starting from a single-process version in 2008, extensive upgrades are done through the previous 7 years in order to achieve major goals of KSTAR performance enhancement. Here, major implementations are explained in this paper. In consequences of successive upgrades, the present KSTAR PCS is able to achieve ~48 s of 500 kA plasma pulses with full real-time shaping controls and real-time NB power controls. It has become a huge system capable of dealing with 8 separate categories of algorithms, 26 actuators directly controllable during the shot, and real-time data communication units consisting of +180 analog channels and +600 digital input/outputs through the reflective memory (RFM) network. The next upgrade of the KSTAR PCS is planned in 2015 before the campaign. An overview of the upgrade layout will be given for this paper. The real-time system box is planned to use the CERN MRG-Realtime OS, an ITER-compatible standard operating system. New hardware is developed for faster real-time streaming system for future installations of actuators/diagnostics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Geothermal Play Fairway Analysis, Part 2: GIS methodology

Play Fairway Analysis (PFA) in geothermal exploration originates from a systematic methodology developed within the petroleum industry and is based on a geologic, geophysical, and hydrologic framework of identified geothermal systems. We tailored this methodology to study the geothermal resource potential of the Snake River Plain and surrounding region, but it can be adapted to other geothermal resource settings. We adapted the PFA approach to geothermal resource exploration by cataloging the critical elements controlling exploitable hydrothermal systems, establishing risk matrices that evaluate these elements in terms of both probability of success and level of knowledge, and building a code-based ‘processing model’ to process results. A geographic information system was used to compile a range of different data types, which we refer to as elements (e.g., faults, vents, heat flow, etc.), with distinct characteristics and measures of confidence. Discontinuous discrete data (points, lines, or polygons) for each element were transformed into continuous interpretive 2D grid surfaces called evidence layers. Because different data types have varying uncertainties, most evidence layers have an accompanying confidence layer which reflects spatial variations in these uncertainties. Risk layers, as defined here, are the product of evidence and confidence layers, and are the building blocks used to construct Common Risk Segment (CRS) maps for heat, permeability, and seal, using a weighted sum for permeability and heat, but a different approach with seal. CRS maps quantify the variable risk associated with each of these critical components. In a final step, the three CRS maps were combined into a Composite Common Risk Segment (CCRS) map, using a modified weighted sum, for results that reveal favorable areas for geothermal exploration. Additional maps are also presented that do not mix contributions from evidence and confidence (to allow an isolated view of evidence and confidence), as well as maps that calculate favorability using the product of components instead of a weighted sum (to highlight where all components are present). Our approach helped to identify areas of high geothermal favorability in the western and central Snake River Plain during the first phase of study and helped identify more precise local drilling targets during the second phase of work. By identifying favorable areas, this methodology can help to reduce uncertainty in geothermal energy exploration and development.

15 GEOTHERMAL ENERGY↗

Pitfalls in Prediction Modeling for Normal Tissue Toxicity in Radiation Therapy: An Illustration With the Individual Radiation Sensitivity and Mammary Carcinoma Risk Factor Investigation Cohorts

Purpose: To identify the main causes underlying the failure of prediction models for radiation therapy toxicity to replicate. Methods and Materials: Data were used from two German cohorts, Individual Radiation Sensitivity (ISE) (n=418) and Mammary Carcinoma Risk Factor Investigation (MARIE) (n=409), of breast cancer patients with similar characteristics and radiation therapy treatments. The toxicity endpoint chosen was telangiectasia. The LASSO (least absolute shrinkage and selection operator) logistic regression method was used to build a predictive model for a dichotomized endpoint (Radiation Therapy Oncology Group/European Organization for the Research and Treatment of Cancer score 0, 1, or ≥2). Internal areas under the receiver operating characteristic curve (inAUCs) were calculated by a naïve approach whereby the training data (ISE) were also used for calculating the AUC. Cross-validation was also applied to calculate the AUC within the same cohort, a second type of inAUC. Internal AUCs from cross-validation were calculated within ISE and MARIE separately. Models trained on one dataset (ISE) were applied to a test dataset (MARIE) and AUCs calculated (exAUCs). Results: Internal AUCs from the naïve approach were generally larger than inAUCs from cross-validation owing to overfitting the training data. Internal AUCs from cross-validation were also generally larger than the exAUCs, reflecting heterogeneity in the predictors between cohorts. The best models with largest inAUCs from cross-validation within both cohorts had a number of common predictors: hypertension, normalized total boost, and presence of estrogen receptors. Surprisingly, the effect (coefficient in the prediction model) of hypertension on telangiectasia incidence was positive in ISE and negative in MARIE. Other predictors were also not common between the 2 cohorts, illustrating that overcoming overfitting does not solve the problem of replication failure of prediction models completely. Conclusions: Overfitting and cohort heterogeneity are the 2 main causes of replication failure of prediction models across cohorts. Cross-validation and similar techniques (eg, bootstrapping) cope with overfitting, but the development of validated predictive models for radiation therapy toxicity requires strategies that deal with cohort heterogeneity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

X-ray topographic study of Bridgman-grown CdZnTeSe

We have characterized the structural quality of Cd 0.9 Zn 0.1 Te 0.93 Se 0.07 ingot grown by the vertical Bridgman growth technique. The structural quality of Cd 0.9 Zn 0.1 Te 0.93 Se 0.07 ingot along the length was investigated via X-ray topography in the reflection mode using a white beam synchrotron radiation source. The X-ray topography data revealed the presence of very few sub grain boundaries and no sub-grain boundary network for the CdZnTeSe samples used in this study.

36 MATERIALS SCIENCE↗

Integrating field observations and process-based modeling to predict watershed water quality under environmental perturbations

Watersheds play a critical role in supplying water resources needed for human use and ecosystem health. Understanding and predicting how, when, and where changes in the quantity and quality of water resources occur under different environmental stresses including extreme events is crucial for sustainable management of water resources under a changing environment. However, few studies have attempted to quantify or identify the factors and process interactions controlling the impact of extreme events across water-shed systems. Only few large-scale studies include coordinated monitoring and modeling efforts, which limits our ability to assess the large-scale impact of extreme events on water supply and quality. Methods are lacking to propagate uncertainty in process understanding through an integrated hydro-biogeochemical model framework and evaluate its importance, thus failing to take full advantage of the information potentially available through transformative advances in characterization technologies from high-resolution mass spectrometry to airborne and satellite-based remote sensing. There are consequent risks to our nations water security and to human and ecosystem health that may become exacerbated with the increasing frequency of extreme events that is projected for the coming decades. This paper reviews the current status of watershed science for both water quantity and quality and identifies critical gaps in our current knowledge and modeling capability in addressing the emergent needs in predicting watershed hydrologic and biogeochemical responses (i.e., water quantity and quality) under natural and anthropogenic perturbations. We highlight the need to (1) understand how environmental perturbations including extreme events like floods and droughts propagate through watershed systems and assess their short- and long-term impacts on watershed biogeochemistry, water quality and their recovery pathways; (2) develop and improve a watershed water quality model that reflects the state of scientific understanding gained from observations; and (3) construct a data-model fusion system for watershed characterization, process identification, and mechanistic model parameterization. A large base of modeling, monitoring and data capabilities have been built by various federal government agencies given the relevance of water to their critical missions. An emerging need is to build an integrated national capability for watershed water availability and quality that can address water-related missions across multiple federal agencies.

13 HYDRO ENERGY↗

Interaction of Formaldehyde with the Rutile TiO 2 (110) Surface: A Combined Experimental and Theoretical Study

The adsorption and reaction of formaldehyde (CH 2 O) on the oxidized rutile TiO 2 (110) surface were studied by temperature programmed desorption (TPD), scanning tunneling microscopy (STM), infrared reflection-absorption spectroscopy (IRRAS) and density functional theory (DFT) calculations. The experimental and theoretical data reveal the presence of various species depending on the temperature and coverage. After formaldehyde adsorption on TiO 2 (110) at 65 K, the multilayer CH 2 O was detected, which desorbs completely upon heating to 120 K. The isolated CH 2 O monomer was identified after submonolayer adsorption at low temperatures (45-65 K), in which CH 2 O is bound to the surface Ti5c sites via σ-donation and adopts a tilted geometry. With heating to higher temperatures the CH 2 O monomers remain stable up to 70 K and then undergo coupling reactions to form paraformaldehyde (polyoxymethylene, POM) at the Ti 5c rows. The POM chain is oriented primarily along the [001] direction in a slightly disordered configuration. POM becomes the predominant species at 120 K and is decomposed releasing CH 2 O at about 250 K. In addition, dioxymethylene (DOM) was detected as minority species formed via reaction of Ti 5c -bound CH 2 O with both neighboring O 2c along the [1-10] direction and oxygen adatoms (Oad) at Ti 5c sites along [001] on the oxidized TiO 2 (110) surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SuperADAM: Upgraded polarized neutron reflectometer at the Institut Laue-Langevin

A new neutron reflectometer SuperADAM has recently been built and commissioned at the Institut Laue-Langevin, Grenoble, France. It replaces the previous neutron reflectometer ADAM. The new instrument uses a solid state polarizer/wavelength filter providing a highly polarized (up to 98.6%) monochromatic neutron flux of 8 Multiplication-Sign 10{sup 4} n cm{sup -2} s{sup -1} with monochromatization {Delta}{lambda}/{lambda}= 0.7% and angular divergence {Delta}{alpha}= 0.2 mrad. The instrument includes both single and position sensitive detectors. The position sensitive detector allows simultaneous measurement of specular reflection and off-specular scattering. Polarization analysis for both specular reflection and off-specular scattering is achieved using either mirror analyzers or a {sup 3}He spin filter cell. High efficiency detectors, low background, and high flux provides a dynamic range of up to seven decades in reflectivity. Detailed specifications and the instrument capabilities are illustrated with examples of recently collected data in the fields of thin film magnetism and thin polymer films.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Anomalies in the pseudogap phase of the cuprates: Competing ground states and the role of umklapp scattering

Over the past two decades, improvements in computational algorithms have shown a curious property of the two-dimensional Hubbard model (and related theories) with hole doping: the presence of close-in-energy competing ground states that display very different physical properties. Firstly, there is a complicated state exhibiting intertwined spin, charge, and pair density wave orders. We call this 'type A'. In contrast, there is a uniform d-wave superconducting state that we denote as 'type B'. We advocate, with the support of both microscopic theoretical calculations and experimental data, dividing the high-temperature cuprate superconductors into two corresponding families, whose properties reflect either the type A or type B ground states at low temperatures. We review the anomalous properties of the pseudogap phase that led us to this picture, and present a modern perspective on the role that umklapp scattering plays in these phenomena in the type B materials. This reveals a consistent framework that has emerged over the last decade, in which Mott correlations at weak coupling drive the formation of the pseudogap. We discuss this development, recent theory and experiments, and open issues.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Reducing the Analytical Bottleneck for Domain Scientists: Lessons from a Climate Data Visualization Case Study

The gap between large-scale data production rate and the rate of generation of data-driven scientific insights has led to an analytical bottleneck in scientific domains like climate, biology, etc. This is primarily due to the lack of innovative analytical tools that can help scientists efficiently analyze and explore alternative hypotheses about the data, and communicate their findings effectively to a broad audience. In this paper, by reflecting on a set of successful collaborative research efforts between with a group of climate scientists and visualization researchers, we introspect how interactive visualization can help reduce the analytical bottleneck for domain scientists.

climate↗

Evalulation of the Specification for Safety-Related Steel Structures for Nuclear Facilities, ANSI/AISC N690-18, for Application to Nuclear Power Plants

This report describes the assessment of the recently published ANSI/AISC N690-18, Specification for Safety-Related Steel Structures for Nuclear Facilities. This work was performed for the U.S. Nuclear Regulatory Commission for potential endorsement of N690-18 for use in the design of nuclear power plants. Currently the NRC endorses the use of an earlier version: N690-1994 (R2004), and thus, a technical review of the updated N690 Specification, which contains significant changes, is warranted. The N690-18 Specification reflects advances and improvements in steel design gained from experience, analytical studies, and experimental data over the years. The N690-18 specification also contains a new Appendix N9 that addresses the design of safety-related steel-plate composite (SC) walls which are a relatively new type of structural member for which previously there has not been any U.S. code or standard that governs its design. The technical review of N690-18 was performed in order to assess the adequacy of the provisions for use by the NRC in updating its regulatory guidance for nuclear power plants. The research developed the technical basis for acceptance of the new specification and also identified areas where additional staff guidance is needed for the design of safety-related steel structures at nuclear power plants. The results of the research have determined that the N690-18 specification is a significant enhancement from the N690-1994 (R2004) edition. The new specification contains substantial upgrades in the design of structural steel and includes new provisions for design of SC wall sections, which can benefit the nuclear power industry as well as the NRC review process. All of the improvements, if endorsed by the NRC with certain regulatory positions, will allow clearer and more consistent regulatory guidance, and will avoid the need for justification by licensees and related reviews each time certain methods or approaches are used.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Evaluation of the Specification for Safety-Related Steel Structures for Nuclear Facilities, ANSI/AISC N690-18, for Application to Nuclear Power Plants

This report describes the assessment of the recently published ANSI/AISC N690-18, Specification for Safety-Related Steel Structures for Nuclear Facilities. This work was performed for the U.S. Nuclear Regulatory Commission for potential endorsement of N690-18 for use in the design of nuclear power plants. Currently the NRC endorses the use of an earlier version: N690-1994 (R2004), and thus, a technical review of the updated N690 Specification, which contains significant changes, is warranted. The N690-18 Specification reflects advances and improvements in steel design gained from experience, analytical studies, and experimental data over the years. The N690-18 specification also contains a new Appendix N9 that addresses the design of safety-related steel-plate composite (SC) walls which are a relatively new type of structural member for which previously there has not been any U.S. code or standard that governs its design. The technical review of N690-18 was performed in order to assess the adequacy of the provisions for use by the NRC in updating its regulatory guidance for nuclear power plants. The research developed the technical basis for acceptance of the new specification and also identified areas where additional staff guidance is needed for the design of safety-related steel structures at nuclear power plants. The results of the research have determined that the N690-18 specification is a significant enhancement from the N690-1994 (R2004) edition. The new specification contains substantial upgrades in the design of structural steel and includes new provisions for design of SC wall sections, which can benefit the nuclear power industry as well as the NRC review process. All of the improvements, if endorsed by the NRC with certain regulatory positions, will allow clearer and more consistent regulatory guidance, and will avoid the need for justification by licensees and related reviews each time certain methods or approaches are used.

42 ENGINEERING↗

Development of a BlueCRAB/MELCOR Framework for Supporting Realistic Mechanistic Source Term Calculations in Microreactors

Efforts are currently underway to deploy microreactor modeling and simulation tools to better support vendors and regulatory authorities in submitting and reviewing licensing applications. In particular, the Nuclear Regulatory Commission is expected to rely on the Comprehensive Reactor Analysis Bundle (BlueCRAB) multiphysics toolset in performing design- and beyond-design-basis accident analyses. In addition, the Nuclear Regulatory Commission has been using the MELCOR code to estimate mechanistic source terms during accidents. As MELCOR relies on isotopic inventory and reactor temperature/power evolution profiles during accident conditions—all of which can theoretically be obtained from BlueCRAB—the ultimate goal of this activity is to establish a common BlueCRAB-MELCOR framework. However, prior to the present research, BlueCRAB had never been used to calculate such quantities of interest at the full-core level. While there are many Monte Carlo (MC) codes capable of computing such quantities of interest, they are unable to readily account for multiphysics feedback. BlueCRAB allows for the coupling of different physics codes together to perform multiphysics-informed calculations. Therefore, the purpose of this fiscal year 2023 work is to investigate the feasibility and challenges of performing such calculations within BlueCRAB so as to generate the data that MELCOR relies on. To demonstrate the methodology, the proposed workflow was applied to a prototypical heat pipe-cooled microreactor model. To predict isotopic concentrations (taking into account the ac- cumulation of fission products during operation), the necessary microscopic cross sections were generated via OpenMC and tabulated with respect to temperature and burnup. Next, a recently developed capability in Griffin (the reactor physics application in BlueCRAB) was used to convert the OpenMC output format into the ISOXML format used by Griffin. A multiphysics microscopic depletion calculation that involved performing a coupled full-core, heterogeneous neutron trans- port and thermal calculation at each depletion step was conducted to deplete the core to end of life (EOL) conditions so as to provide both isotopics and the initial condition for the transient calculation. Following a brief null-transient to verify that the initial condition had been properly restarted and was indeed in thermal equilibrium, a heat pipe failure transient was simulated. Thus, the entire workflow of using BlueCRAB to generate MELCOR inputs, from cross-section generation to producing isotopic inventory and power/temperature evolution profiles during transients, is demonstrated. This report also details the identified gaps in the workflow and how they were (for the most part) addressed. Future work should focus on directly including MEL- COR into the workflow by performing a MELCOR calculation using the BlueCRAB-generated input data. In addition, the heat pipe reactor design should be improved so as to reflect more prototypical burnup characteristics at EOL.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Spatial and temporal metagenomics of river compartments reveals viral community dynamics in an urban impacted stream

Although river ecosystems constitute a small fraction of Earth’s total area, they are critical modulators of microbially and virally orchestrated global biogeochemical cycles. However, most studies either use data that is not spatially resolved or is collected at timepoints that do not reflect the short life cycles of microorganisms. To address this gap, we assessed how viral and microbial communities change over a 48-hour period by sampling surface water and pore water compartments of the wastewater-impacted River Erpe in Germany. We sampled every 3 hours resulting in 32 samples for which we obtained metagenomes along with geochemical and metabolite measurements. From our metagenomes, we identified 6,500 viral and 1,033 microbial metagenome assembled genomes (MAGs) and found distinct community membership and abundance associated with each river compartment (e.g., Competibacteraceae in surfacewater and Sulfurimonadaceae in pore water). We show that 17% of our viral MAGs clustered to viruses from other ecosystems like wastewater treatment plants and rivers. Our results also indicated that 70% of the viral community was persistent in surface waters, whereas only 13% were persistent in the pore waters taken from the hyporheic zone. Finally, we predicted linkages between 73 viral genomes and 38 microbial genomes. These putatively linked hosts included members of the Competibacteraceae, which we suggest are potential contributors to river carbon and nitrogen cycling via denitrification and nitrogen fixation. Together, these findings demonstrate that members of the surface water microbiome from this urban river are stable over multiple diurnal cycles. These temporal insights raise important considerations for ecosystem models attempting to constrain dynamics of river biogeochemical cycles.

54 ENVIRONMENTAL SCIENCES↗

EcoSpec: Highly Equipped Tower-Based Hyperspectral and Thermal Infrared Automatic Remote Sensing System for Investigating Plant Responses to Environmental Changes

Despite an advanced ability to forecast ecosystem functions and climate at regional and global scales, little is known about relationships between local variations in water and carbon fluxes and large-scale phenomena. To enable data collection of local-scale ecosystem functions to support such investigations, we developed the EcoSpec system, a highly equipped remote sensing system that houses a hyperspectral radiometer (350–2500 nm) and five optical and infrared sensors in a compact tower. Its custom software controls the sequence and timing of movement of the sensors and system components and collects measurements at 12 locations around the tower. The data collected using the system was processed to remove sun-angle effects, and spectral vegetation indices computed from the data (i.e., the Normalized Difference Vegetation Index (NDVI), Normalized Difference Water Index (NDWI), Photochemical Reflectance Index (PRI), and Moisture Stress Index (MSI)) were compared with the fraction of photochemically active radiation (fPAR) and canopy temperature. The results showed that the NDVI, NDWI, and PRI were strongly correlated with fPAR; the MSI was correlated with canopy temperature at the diurnal scale. These correlations suggest that this type of near-surface remote sensing system would complement existing observatories to validate satellite remote sensing observations and link local and large-scale phenomena to improve our ability to forecast ecosystem functions and climate. The system is also relevant for precision agriculture to study crop growth, detect disease and pests, and compare traits of cultivars.

47 OTHER INSTRUMENTATION↗

The development of rainfall retrievals from radar at Darwin

Abstract. The U.S. Department of Energy Atmospheric Radiation Measurement program Tropical Western Pacific site hosted a C-band polarization (CPOL) radar in Darwin, Australia. It provides 2 decades of tropical rainfall characteristics useful for validating global circulation models. Rainfall retrievals from radar assume characteristics about the droplet size distribution (DSD) that vary significantly. To minimize the uncertainty associated with DSD variability, new radar rainfall techniques use dual polarization and specific attenuation estimates. This study challenges the applicability of several specific attenuation and dual-polarization-based rainfall estimators in tropical settings using a 4-year archive of Darwin disdrometer datasets in conjunction with CPOL observations. This assessment is based on three metrics: statistical uncertainty estimates, principal component analysis (PCA), and comparisons of various retrievals from CPOL data. The PCA shows that the variability in R can be consistently attributed to reflectivity, but dependence on dual-polarization quantities was wavelength dependent for 1 10mmh-1. Rainfall estimates during these conditions primarily originate from deep convective clouds with median drop diameters greater than 1.5 mm. An uncertainty analysis and intercomparison with CPOL show that a Colorado State University blended technique for tropical oceans, with modified estimators developed from video disdrometer observations, is most appropriate for use in all cases, such as when 1 10mmh-1 (deeper convective rain).

54 ENVIRONMENTAL SCIENCES↗

Current advances in synchrotron radiation instrumentation for MX experiments

Following pioneering work 40 years ago, synchrotron beamlines dedicated to macromolecular crystallography (MX) have improved in almost every aspect as instrumentation has evolved. Beam sizes and crystal dimensions are now on the single micron scale while data can be collected from proteins with molecular weights over 10 MDa and from crystals with unit cell dimensions over 1000 Å. Furthermore it is possible to collect a complete data set in seconds, and obtain the resulting structure in minutes. The impact of MX synchrotron beamlines and their evolution is reflected in their scientific output, and MX is now the method of choice for a variety of aims from ligand binding to structure determination of membrane proteins, viruses and ribosomes, resulting in a much deeper understanding of the machinery of life. A main driving force of beamline evolution have been advances in almost every aspect of the instrumentation comprising a synchrotron beamline. In this review we aim to provide an overview of the current status of instrumentation at modern MX experiments. The most critical optical components are discussed, as are aspects of endstation design, sample delivery, visualisation and positioning, the sample environment, beam shaping, detectors and data acquisition and processing.

59 BASIC BIOLOGICAL SCIENCES↗