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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14

Urban building energy modeling (UBEM) tools: A state-of-the-art review of bottom-up physics-based approaches

Regulations corroborate the importance of retrofitting existing building stocks or constructing new energy-efficient districts. There is, thus, a need for modeling tools to evaluate energy scenarios to better manage and design cities, and numerous methodologies and tools have been developed. Among them, Urban Building Energy Modelling (UBEM) tools allow the energy simulation of buildings at large scales. Choosing an appropriate UBEM tool, balancing the level of complexity, accuracy, usability, and computing needs, remains a challenge for users. The review focuses on the main bottom-up physics-based UBEM tools, comparing them from a user-oriented perspective. Five categories are used: (i) the required inputs, (ii) the reported outputs, (iii) the exploited workflow, (iv) the applicability of each tool, and (v) the potential users. Moreover, a critical discussion is proposed, focusing on interests and trends in research and development. The results highlighted major differences between UBEM tools that must be considered to choose the proper one for an application. Finally, barriers of adoption of UBEM tools include the needs of a standardized ontology, a common three-dimensional city model, a standard procedure to collect data, and a standard set of test cases. This feeds into future development of UBEM tools to support cities’ sustainability goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A Survey on the Expanding Scope and Interdisciplinary Opportunities for Processing-in-Memory Techniques

Processing-in-Memory (PIM) is emerging as a practical path to overcome the limitations of traditional von Neumann architectures. At its core, PIM systems implement computing primitives such as logic operations and multiply-accumulate acceleration through compute-in-memory, near-memory processing, or hybrid designs. The role of memory cells varies widely across technologies, acting as inputs, outputs, or analog accumulators through bit-lines and sense amplifiers. This diversity creates trade-offs in precision, bandwidth, latency, and programmability, making it difficult to build a unified understanding on the progress of the field. In this survey, we organize recent advances of PIM into three areas. First, we discuss the progress on the architectural optimizations of PIM and its integration with both DRAM and emerging non-volatile memories. Second, we examine how PIM is being used to accelerate key computing domains, including generative AI workloads and high-performance kernels, along with new approaches. Third, we highlight the growing adoption of PIM in computational sciences, where it is being applied to solve interdisciplinary problems such as genome analysis, mRNA quantification, mass spectrometry, quantum circuit simulation, wave modeling, and secure computation. Finally, we synthesize the major challenges that continue to slow PIM adoption, including manufacturing constraints, power delivery, thermal reliability, data consistency, runtime and memory-management coordination, and the difficulty of building portable software abstractions without sacrificing commercial viability. This work provides an updated, structured perspective on PIM’s potential across computing and computational sciences and the barriers that must be solved for it to reach its full impact.

Asifuzzaman, Kazi [Oak Ridge National Laboratory (↗

Data and scripts associated with a manuscript on residence time distribution simulation in two 10-kilometer long river sections

This data package is associated with the publication “On the Transferability of Residence Time Distributions in Two 10-km Long River Sections with Similar Hydromorphic Units” submitted to the Journal of Hydrology (Bao et al. 2024).Quantifying hydrologic exchange fluxes (HEFs) at the stream-groundwater interface, along with their residence time distributions (RTDs) in the subsurface, is crucial for managing water quality and ecosystem health in dynamic river corridors. However, directly simulating high-spatial resolution HEFs and RTDs can be a time-consuming process, particularly for watershed-scale modeling. Efficient surrogate models that link RTDs to hydromorphic units (HUs) may serve as alternatives for simulating RTDs in large-scale models. One common concern with these surrogate models, however, is the transferability of the relationship between the RTDs and HUs from one river corridor to another. To address this, we evaluated the HEFs and the resulting RTD-HU relationships for two 10-kilometer-long river corridors along the Columbia River, using a one-way coupled three-dimensional transient surface-subsurface water transport modeling framework that we previously developed. Applying this framework to the two river corridors with similar HUs allows for quantitative comparisons of HEFs and RTDs using both statistical tests and machine learning classification models. This data package includes the model inputs files and the simulation results data. This data package contains 10 folders. The modeling simulation results data are in the folders 100H_pt_data and 300area_pt_data, for the study domain Hanford 100H and 300 area respectively. The remaining eight folders contain the scripts and data to generate the manuscript figures. The file-level metadata file (Bao_2024_Residence_Time_Distribution _flmd.csv) includes a list of all files contained in this data package and descriptions for each. The data dictionary file (Bao_2024_Residence_Time_Distribution _dd.csv) includes column header definitions and units of all tabular files.

54 ENVIRONMENTAL SCIENCES↗

Space Launch System Liftoff and Separation Dynamics Analysis Tool Chain

A flexible, hierarchical tool chain that is being applied to NASA’s Space Launch System (SLS) for critical dynamics phenomena is described. This tool chain, called CLVTOPS, is used to investigate lateral liftoff movement of the vehicle as it departs and clears the mobile launch tower and separation of the two solid rocket boosters without collision with the core stage and payload. The toolset’s architecture was configured to take advantage of a modern software-engineering approach for maximum flexibility and utilization of open-source simulations and associated tools. As opposed to a “monolithic” approach, scripting languages were used to “bind” together a tool chain to configure and organize input data, execute and produce analysis results, and post-process these results to facilitate a rapid iterative analysis process to quickly address issues and pursue alternatives with emphasis on analysis automation. Key capabilities in the tool chain include processing and mining of very large data sets, a wide range of graphical depictions, and high-fidelity, physics-based simulations. The paper begins with a problem description and the motivation for liftoff and separation dynamics analysis followed by a historical survey of dynamics analyses for previous NASA human-rated launch vehicles. Details of the tool chain and its components are then introduced divided, first, into description of the scripting language architecture used to “bind” the simulation tools, programs, and scripts together and, second, the physics models and simulations. Representative analyses and data products are shown for liftoff and booster separation dynamics that provide in-depth insight to the tool chain’s capabilities. Supporting activities such as simulation tool chain verification, version archiving and data management, and training are addressed. The paper concludes with case examples on how the tool chain can be tailored to related aerospace dynamics analyses, both large and small. These patterns and techniques for SLS dynamics tool construction can be applied for other aerospace simulations.

6DOF↗

Molecular Modeling and Molecular Dynamics Simulation of a Packed and Intact Bacterial Microcompartment

Bacterial microcompartments (BMCs) are protein-bound organelles found in some bacteria which encapsulate enzymes for enhanced catalytic activity. These compartments spatially sequester enzymes within semipermeable shell proteins and are packed full of enzyme cargoes and metabolites as they fulfill their function. Coupling together recent SAXS and proteomics work, it is possible to develop molecular models for these microcompartments and interrogate enzyme and metabolite dynamics within. Our primary goal of this study is to quantify the permeability of metabolite glyceraldehyde-3-phosphate (G3P) and dihydroxyacetone phosphate (DHAP) across the BMC shell through classical molecular dynamics simulation. The Haliangium ochraceum model of BMC shell (PDB: 6MZX) was used to model an intact BMC of approximately 10 million atoms. Working at this scale presented its own challenges in managing large data sets, with multiple challenges and hardware advances discussed that facilitated this work. Over approximately 750 ns of aggregate simulation, we see multiple permeation events for these metabolites that were added at high concentration through the pores present within BMC shell tiles. When compared to independent permeability estimates for the same metabolites determined through replica exchange umbrella sampling simulations, the permeabilities varied by approximately 3 orders of magnitude. Regardless, the permeability coefficients for both G3P and DHAP are highly similar and very high, such that only very small concentration gradients can be maintained across the BMC shell between the cytosol and BMC interior. The large simulation systems also facilitated comparisons for molecular diffusivity in the crowded environment within the BMC shell. By our estimates, the viscosity within a packed BMC shell is at least 10-fold higher than it would be in neat solution and is the real driver for varying permeability estimates we obtained through simulation. These findings will be used as design inputs for future bioengineering efforts to make products from BMCs, highlighting how permeable BMC shells can be.

Diffusion↗

Space Launch System Liftoff and Separation Dynamics Analysis Tool Chain

A flexible, hierarchical tool chain that is being applied to NASA’s Space Launch System (SLS) for critical dynamics phenomena is described. This tool chain, called CLVTOPS, is used to investigate lateral liftoff movement of the vehicle as it departs and clears the mobile launch tower and separation of the two solid rocket boosters without collision with the core stage and payload. The toolset’s architecture was configured to take advantage of a modern software engineering approach for maximum flexibility and utilization of open-source simulations and associated tools. As opposed to a “monolithic” approach, scripting languages were used to “bind” together a tool chain to configure and organize input data, execute and produce analysis results, and post-process these results to facilitate a rapid, iterative analysis process to quickly address issues and pursue alternatives with emphasis on analysis automation. Key capabilities in the tool chain include processing and mining of very large data sets, a wide range of graphical depictions, and high-fidelity, physics-based simulations. The paper begins with a problem description and the motivation for liftoff and separation dynamics analysis followed by a historical survey of dynamics analyses for previous NASA human-rated launch vehicles. Details of the tool chain and its components are then introduced and divided, first, into description of the scripting language architecture used to “bind” the simulation tools, programs, and scripts together and, second, the physics models and simulations. Representative analyses and data products for liftoff and booster separation dynamics are shown in order to provide in-depth insight into the tool chain’s capabilities. Supporting activities such as simulation tool chain verification, version archiving and data management, and training are addressed. The paper concludes with case examples on how the tool chain can be tailored to related aerospace dynamics analyses, both large and small. The flexibility and versatility of this tool chain in supporting analyses of such a diverse range of aerospace applications demonstrates the feasibility of applying these patterns and techniques for tool construction to other aerospace simulations.

6DOF↗

ESS-DIVE guidelines for archiving terrestrial model data

This dataset contains supporting documents and images for ESS-DIVE terrestrial model data archiving guidelines.Terrestrial models are broadly defined as numerical models that couple both land dynamics and energy, water, carbon, or nutrient fluxes. We created these guidelines based on input from the U.S. Department of Energy’s Biological and Environmental Research land modeling community. The guidelines are intended to help modelers determine which components of their terrestrial model data associated with publication should be archived. Based on input from the land modeling community, the guidelines recommend archiving both model input and testing data, as well as code, script, and metadata. The guidelines also recommend archiving model data output, depending on the limitations set by data repositories. Lastly, we provide recommendations for bundling data files for publication as well as a discussion about tools that can facilitate model data archiving and reuse.This dataset is an archive of the associated GitHub repository for our model archiving guidelines (https://github.com/ess-dive-community/essdive-model-data-archiving-guidelines). The ‘README.pdf’ file gives a general introduction to the guidelines, and the ‘instructions.pdf’ file provides more detailed steps for following the guidelines. We also provide 2 figures in this data package: 1) a decision tree (model_data_guidelines_decision_tree.png) that can help users determine which components of their model data to archive. and 2) the ‘model_data_guidelines_flmd.png’ file depicts the different files that can be archived in addition to the model data itself. Lastly, we include 3 digitized tables from our associated manuscript and 3 CSV files with anonymized input from DOE scientists about the importance of different aspects of model data archiving from which we developed the guidelines.Dataset updates for v1.1.0: We updated this data package on 2021-11-22 in response to review comments on our related manuscript. In this update we removed one figure so that the model archiving guidelines are conveyed in text rather than an image. We updated the file-level metadata (FLMD) figure to be in accord with the most recent FLMD recommendations. We made minor edits to the README file to update the recommended citation and added two co-authors. We also added 6 new data files (3 are anonymized input from DOE scientists that helped to inform guidelines, and 3 are digitized tables from our manuscript.

54 ENVIRONMENTAL SCIENCES↗

First-Principles-Based Computational Study on Nucleation and Growth Mechanisms of U on Mo(110) Surface Solvated in an Eutectic LiCl-KCl Molten Salt

In nuclear engineering and industry electrochemical methods have been intensively employed in pyro-processing technology to recycle used nuclear fuels for substantial alleviation of the concern with the safe treatment of high-level radioactive nuclear wastes. Pyro-processing is based on sequential electrochemical reactions at high temperature (typically above 700 K at ambient pressure) to enhance the efficiency for decoupling nuclear fuels from unfavorable fission fragments. Using a molten salt in electrorefining process, at which actinides can be selectively deposited in solid cathode from ionic states, gives several advantages over an aqueous solution: higher thermal conductivity (it is liquid phase at high temperature, molten salt plays a role as medium at high temperature over 773 K in electrochemical reaction, lower kinetic barrier in ionic diffusion mobility and better stability against undesired side reactions with radioactive materials. Therefore, the volume of high-level nuclear wastes to be, otherwise, disposed into secured sites is dramatically reduced. Most of all it conforms to nuclear non-proliferation treaty. Electrochemical reactions in a molten salt medium are, however, much more complicated than in aqueous solution rendering the accurate understanding of thermodynamic and kinetic properties formidably challenging. It is represented by extensive researches in experiments and computations to identify underlying mechanisms on how U and other fission fragments behave in the electrorefining system. Regardless of the researches there is a general agreement that the initial stage of the nucleation and growth process of the U deposit is critical for determining the properties of final product and the electrorefining efficiency. In spite of the focused studies it still remains unclear. Theoretical and computational researches have been often carried out with various empirical parameter for interatomic potential energy, which are unknown variables until numerical fits to experimental measurements or just assumption is made. Thus, empirical simulations sometimes predicted outcomes are inconsistent depending on materials of interest with experimental measurements. This may be largely because the accuracy of an empirical interatomic potential energy models critically depends on the input parameters and thus, can be limited in transferability of the results. Furthermore, it may be devoid of fundamental physics or chemistry. This situation requires special caution when an electrorefining system is studied to recycle spent nuclear fuels because of the extreme difficulty in reliable acquisition of thermodynamic and kinetic data from direct experimental measurements. In this presentation, we extensively utilized first principles density functional theory (DFT) calculations and ab-initio molecular dynamic (AIMD) simulations to figure out underlying mechanisms of the initial stage of nucleation and growth behaviors of U on Mo(110) surface in a eutectic LiCl-KCl molten salt at T = 773 K. To rigorously investigate the effect of the molten salt electrolyte we compared the results with those calculated under vacuum condition.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

EPRI Report: Review of Geostatistical Approaches to Characterization of Subsurface Contamination - 17442

The key metric in the final release of a nuclear facility from radiological controls following plant decommissioning is the potential long-term radiation exposure to future users of the site. This is estimated from modeling of the exposure that could conceivably result from residual contamination remaining on the site in buildings, soil and groundwater after the completion of decontamination, dismantlement and remediation activities. A key input to such modelling is characterization data obtained from surveys and sampling. To date, the regulatory guidance for conducting the final status survey required to show compliance with regulator approved site release limits (i.e., radionuclide concentrations or contamination levels) has been limited to surface contamination. EPRI has completed a project that provides guidance for use of geo-statistics in the development of a site final status survey that will address the impact of dose to a future user of the site from subsurface contamination. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Global critical materials markets: An agent-based modeling approach

As part of efforts to position the United States as a leader in clean energy technology production, the U. S. Department of Energy (DOE) issued two Critical Materials Strategy reports, which assessed 16 materials on the basis of their importance to clean energy development and their supply risk ( U.S. Department of Energy (DOE), 2010 and DOE, 2011). To understand the implications for clean energy of disruptions in supplies of critical materials, it is important to understand supply chain dynamics from mining to final product production. As a case study of critical material supply chains, we focus on the supply of two rare earth metals, neodymium (Nd) and dysprosium (Dy), for permanent magnets used in wind turbines, electric vehicles and other applications. We introduce GCMat, a dynamic agent-based model that includes interacting agents at five supply chain stages consisting of mining, metal refining, magnet production, final product production and demand. Agents throughout the supply chain make pricing, production and inventory management decisions. Deposit developers choose which deposits to develop based on market conditions and detailed data on 57 rare earth deposits. Wind turbine and electric vehicle producers choose from a set of possible production technologies that require different amounts of rare earths. We ran the model under a baseline scenario and four alternative scenarios with different demand and production technology inputs. Model results from 2010 to 2013 fit well with historical data. Projections through 2025 show a number of possible future price, demand, and supply trajectories. For each scenario, we highlight reasons for turning points under market conditions, for differences between Nd and Dy markets, and for differences between scenarios. Because GCMat can model causal dynamics and provide fine-grain representation of agents and their decisions, it provides explanations for turning points under market conditions that are not otherwise available from other modeling approaches. Our baseline projections show very different behaviors for Nd and Dy prices. Nd prices continue to drop and remain low even at the end of our simulation period as new capacity comes online and leads to a market in which production capacity outpaces demand. Dy price movements, on the other hand, change directions several times with several key turning points related to inventory behaviors of particular agents in the supply chain and asymmetric supply and demand trends. Scenario analyses show the impact of stronger demand growth for rare earths, and in particular finds that Nd price impacts are significantly delayed as compared to Dy. This is explained by the substantial excess production capacity for Nd in the early simulation years that keeps prices down. Scenarios that explore the impact of reducing the Dy content of magnets show the intricate interdependencies of these two markets as price trends for both rare earths reverse directions – reducing the Dy content of magnets reduces Dy demand, which drives down Dy prices and translates into lower magnet prices. This in turn raises the demand for magnets and therefore the demand for Nd and eventually drives up the Nd price.

36 MATERIALS SCIENCE↗

Connected Traffic Signal Coordination Optimization Framework through Network-Wide Adaptive Linear Quadratic Regulator–Based Control Strategy

Traffic congestion in metropolitan areas causes several significant challenges, such as longer travel times, decreased productivity, increased fuel consumption and vehicle emissions, and even severe injuries during crashes. Traffic signal control is a management approach to reduce traffic congestion and allocate the appropriate right of way for safety and mobility efficiency, both in temporal and spatial domains. Here, this study proposes a network-wide adaptive signal control coordination optimization framework based on the linear quadratic regulator algorithm. The traffic flow conditions driven by signal control inputs are formulated based on their network-wide state-space representation. After modeling traffic control regulation constraints, an adaptive linear quadratic regulator algorithm is designed to maximize the network-wide total throughput under the current conditions. Optimal signal control split time durations for multiple intersections in the network are derived by solving the algebraic Riccati equation. Furthermore, the recursive least square parameter estimation method is employed to quantify dynamic traffic condition changes. To verify the effectiveness of this proposed signal control framework, both simulation and real-world experimental tests are conducted for multiple intersections in downtown Chattanooga, Tennessee, United States. In preparation for real-world experimental tests, pipelines for real-time data processing implementation and historical traffic flow data analysis are conducted. The test results demonstrate that the proposed control framework achieves a decrease in travel time by up to 19.4%, total time spent (TTS) by up to 11.9%, and relative queue balance (RQB) by up to 15.6%. The research findings indicate that the proposed signal control framework can be generalized to handle large scale signal control optimization network-wide.

97 MATHEMATICS AND COMPUTING↗

Radiometric characterization process for locating radioactivity hold-up and measuring non-uniformly distributed sources - 15342

A novel approach to facility radiometric characterization for non-uniformly distributed radiation sources has been developed by ANTECH and is currently being employed at the Argonne National Laboratory. It is being applied to the measurement of a wide range of objects and the interiors and contents of laboratories and buildings. The integrated non destructive assay measurement process involves the use of a scanning spectroscopic gamma ray camera as well as high purity Germanium detectors with different collimators and hence differing detector fields of view to measure and quantify non-uniformly distributed sources of radioactivity in laboratory equipment, glove boxes, storage tanks, pipework and general laboratory objects and process components. The purpose of the radiometric characterization is to quantify radiation sources and radioactive contamination levels in facilities containing nuclear material and to ensure compliance with facility characterization requirements and for decontamination and decommissioning planning and execution. The integrated measurement process also involves automated data capture and processing software and a database with which both measurement instrument operators and subject matter expert analysts can interact. An appropriate measuring instrument (gamma camera, scintillation detector, high purity Germanium detector system, neutron detector or alpha-beta counter) records the measurement data and the measurement site is recorded in a photograph. All of the data relevant to the measurement (or set of measurements for a particular object) are recorded in the database including measured gamma ray spectra, equipment description and relevant calibration, measurement site photograph and measurement descriptive data. Once data analysis protocols are established for specific geometries and measurement situations they can be applied to the measured data in a partially automated manner, reducing analysis and transcription errors. In addition to measurements and data analysis the process also utilises radiometric modelling computer codes including MicroShield and Monte Carlo Neutrons Photons in order to perform model calculations where appropriate. In a typical measurement, the ANTECH RadSearch spectroscopic gamma camera is utilized to find areas of concentrated activity so that these areas can be measured and calculated separately from areas with diffuse contamination. The use of the gamma camera in scanning mode helps to ensure that the assay does not overestimate the detected radiation source, which is a frequent consequence of using standard far field geometry and attenuation analysis codes that assume uniformity of both density and radioactive source distribution. Once the hot spots are identified, high purity Germanium detector measurements are made using various collimators with wide or narrow fields of view as required. These measurements are then processed through a semi-automatic calculation process assuming an appropriate source configuration as identified by RadSearch. These source configurations include point sources, line sources or surface sources. The Generalized Geometry Hold-up algorithms are employed to determine an estimate of the activity of the various sources that are identified in a measurement. The ANTECH integrated measurement process provides an automated calculation procedure where the analyst can select the source type, geometry and appropriate input data, and then the software calculates the activity by radionuclide for all sources identified in the measurement. The measurement and analysis process is controlled under the ANTECH ISO9001: 2008 Quality Assurance System and managed by a site specific Quality Assurance Plan. Both Argonne National Laboratory and Department of Energy technical reviewers have vetted the Integrated Measurement and Analysis Process. The application of the measurement and analysis process is described and measurement examples are provided. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Unveiling the Potential of MeshGraphNets for Predicting Subsurface Evolution in Carbon Storage Projects

This is the conference paper accompanying an oral presentation “Unveiling the Potential of MeshGraphNets for Predicting Subsurface Evolution in Carbon Storage Projects” at the 17th International Conference on Greenhouse Gas Control Technologies GHGT-17 held in Calgary, Canada, October 20-24 , 2024. Carbon capture and storage (CCS) technology is critical for mitigating climate change but requires effective subsurface reservoir management to ensure safe containment of injected CO2. Accurate predictions of reservoir pressure and saturation are essential for assessing long-term CCS performance. Traditional numerical simulations, while effective, are computationally intensive, time-consuming, and constrained by data discretization. Previous work has shown the effectiveness of MeshGraphNets (MGN), a graph-based machine learning framework, as an innovative alternative for predicting reservoir behavior. MGN leverages graph neural networks (GNNs) and mesh representations to model complex geological formations, offering superior adaptability across different discretizations and reservoir configurations. Classic MGN implementations utilize an autoregressive technique to predict future behavior based on current predictions, but this technique is hampered by error accumulation over time. To enhance the model accuracy in time-series predictions, this study implemented a multi-step rollout strategy that integrates autoregressive predictions during training to stabilize prediction of saturation over time. Using the Illinois Basin – Decatur Project (IBDP) dataset, comprising 100 simulations of CO2 injection, pressure, and saturation changes, the framework demonstrated its ability to learn spatial dependencies and temporal dynamics. With inputs including permeabilities, porosities, and injection rates, MGN accurately predicted CO2 plume evolution over time, even with limited training data. Moreover, the addition of a multi-step rollout procedure during training improved the ability of MGN to predict stably over time by ~15%. This research positions MGN, enhanced with multi-step rollout capabilities, as a robust and efficient tool for CCS applications. It advances the field by enabling precise, computationally efficient predictions of reservoir behavior, providing a foundation for the broader adoption of machine learning frameworks in CCS and other geoscience domains.

Holcomb, Paul↗

Fission Surface Power Systems (FSPS) Project Final Report for the Exploration Technology Development Program (ETDP): Fission Surface Power, Transition Face to Face

The Fission Surface Power Systems Project became part of the ETDP on October 1, 2008. Its goal was to demonstrate fission power system technology readiness in an operationally relevant environment, while providing data on fission system characteristics pertinent to the use of a fission power system on planetary surfaces. During fiscal years 08 to 10, the FSPS project activities were dominated by hardware demonstrations of component technologies, to verify their readiness for inclusion in the fission surface power system. These Pathfinders demonstrated multi-kWe Stirling power conversion operating with heat delivered via liquid metal NaK, composite Ti/H2O heat pipe radiator panel operations at 400 K input water temperature, no-moving-part electromagnetic liquid metal pump operation with NaK at flight-like temperatures, and subscale performance of an electric resistance reactor simulator capable of reproducing characteristics of a nuclear reactor for the purpose of system-level testing, and a longer list of component technologies included in the attached report. Based on the successful conclusion of Pathfinder testing, work began in 2010 on design and development of the Technology Demonstration Unit (TDU), a full-scale 1/4 power system-level non-nuclear assembly of a reactor simulator, power conversion, heat rejection, instrumentation and controls, and power management and distribution. The TDU will be developed and fabricated during fiscal years 11 and 12, culminating in initial testing with water cooling replacing the heat rejection system in 2012, and complete testing of the full TDU by the end of 2014. Due to its importance for Mars exploration, potential applicability to missions preceding Mars missions, and readiness for an early system-level demonstration, the Enabling Technology Development and Demonstration program is currently planning to continue the project as the Fission Power Systems project, including emphasis on the TDU completion and testing.

Palac, Donald T.↗

Cybersecurity for Grid Connected eXtreme Fast Charging (XFC) Station (CyberX) (Final Scientific/Technical Report)

This report summarizes the activities conducted under the DOE VTO funded project DE- EE0008451, where ABB Inc. (ABB), in collaboration with Idaho National Laboratory (INL), APS Global (APS), and XOS Trucks (XOS) pursued the development of a cyber-resilient extreme fast charging (XFC) management system. This project entitled Cybersecurity for Grid Connected eXtreme Fast Charging (XFC) Station (CyberX) focuses on a resilient architecture for smart charging EV Supply Equipment (EVSE) device control and Coordinated Anomaly Detection System (CADS) features that can be added at the charging site depot level to increase cybersecurity. The project was split into two budget periods focused first on developing the threat model and resilient control concepts and second on testing, improving, and validating those developed resilient control algorithms and features with a focus on key vulnerabilities identified during the threat assessment portion of the project. During the first budget period of the CyberX project, the ABB led team focused on activities to identify, model, and quantitatively prioritize high-impact attack scenarios with potential cyber-physical effects while also modeling and developing concepts for a resilient control system that could securely address integration of DERs and other resources with EV charging. Development of the security focused XFC management system (XMS) was accomplished first by offline simulation using a developed XFC station or depot with 480V input level and simulating measurement inputs to monitoring and control systems in concept development. A representative distribution grid model was developed supporting an EV charging site model with BESS and 6 general EV charging models. These EV charging models allowed multiple configurations of charging level, multiple connected protection and measurement devices, and simulation function to show general compromise of EV, BESS, and protection features based on parallel threat analysis. During the second budget period, the EV site and supporting systems model was developed in more detail and converted from offline model to real-time to real-time with EV charging hardware in the loop (HIL). The resilient control architecture developed as concept in the first part of the project was further tested and validated for integration of local energy resources and XFC charging station site equipment while maintaining cybersecure operating principles. The proposed resilient architecture for smart charging and cybersecurity features consists of two main concepts developed and tested within the project. The first concept is an XFC management system (XMS) consisting of a hardware gateway, software platform, and Supervisory Control and Data Acquisition (SCADA) or Distribution Management System integration components. The second concept is a Coordinated Anomaly Detection System (CADS) which forms a primarily software-related subsystem of the total CyberX solution focused on monitoring system measurements, estimation of measurement states, and predicting current at the utility point of interaction based on machine learning for anomaly detection.

33 ADVANCED PROPULSION SYSTEMS↗

An Integrated Hydrological and Water Management Study of the Entire Nile River System - Lake Victoria to Nile Delta

The Nile basin River system spans 3 million km(exp 2) distributed over ten nations. The eight upstream riparian nations, Ethiopia, Eretria, Uganda, Rwanda, Burundi, Congo, Tanzania and Kenya are the source of approximately 86% of the water inputs to the Nile, while the two downstream riparian countries Sudan and Egypt, presently rely on the river's flow for most of the their needs. Both climate and agriculture contribute to the complicated nature of Nile River management: precipitation in the headwaters regions of Ethiopia and Lake Victoria is variable on a seasonal and inter-annual basis, while demand for irrigation water in the arid downstream region is consistently high. The Nile is, perhaps, one of the most difficult trans-boundary water issue in the world, and this study would be the first initiative to combine NASA satellite observations with the hydrologic models study the overall water balance in a to comprehensive manner. The cornerstone application of NASA's Earth Science Research Results under this project are the NASA Land Data Assimilation System (LDAS) and the USDA Atmosphere-land Exchange Inverse (ALEXI) model. These two complementary research results are methodologically independent methods for using NASA observations to support water resource analysis in data poor regions. Where an LDAS uses multiple sources of satellite data to inform prognostic simulations of hydrological process, ALEXI diagnoses evapotranspiration and water stress on the basis of thermal infrared satellite imagery. Specifically, this work integrates NASA Land Data Assimilation systems into the water management decision support systems that member countries of the Nile Basin Initiative (NBI) and Regional Center for Mapping of Resources for Development (RCMRD, located in Nairobi, Kenya) use in water resource analysis, agricultural planning, and acute drought response to support sustainable development of Nile Basin water resources. The project is motivated by the recognition that accurate, frequent, and spatially distributed estimates of the water balance are necessary for effective water management. This creates a challenge for watersheds that are large, include data poor regions, and/or span multiple nations. All of these descriptors apply to the Nile River basin, yet successful management of the Nile is critical for development and political stability in the region. For this reason, improved hydrological data to support cooperative water management in the Nile basin is a priority for USAID, the US State Department, the World Bank and other international organizations. In this project, the U.S. based research team is working with partners at RCMRD, Nile Basin Initiative (NBI), and their member national-level agencies to develop satellite-based land cover maps, satellite-derived evapotranspiration estimates (using the ALEXI algorithm), and NASA's Land Data Assimilation System (LDAS) customized to match identified information needs. The cornerstone applied sciences product of the project is the development of a customized "Nile LDAS" that will produce optimal estimates of hydrological states and fluxes, as vetted against the in situ observations of NBI and RCMRD member organizations and independent satellite-derived hydrological estimates. Nile LDAS will be applied to improve the reliability of emerging Decision Support Systems in applications that include drought monitoring, reservoir management, and irrigation planning. The end-users such as RCMRD, NBI, Ethiopian and Kenya Meteorological and Famine Early Warning System Network (FEWSNet) will be the eventual benefactors of this work. There will be a capacity building process involving the above end-user organizations and transfer the models and the results for these organizations to execute for future use. The team has already initiated this study and the early results of first years' work are shown. The plan is to complete this work by late 2013.

Habib, Shahid↗

Fate and transport of phenol in a packed bed reactor containing simulated solid waste

Highlights: Black-Right-Pointing-Pointer Anaerobic column experiments were conducted at 37 Degree-Sign C using a simulated waste mixture. Black-Right-Pointing-Pointer Sorption and biodegradation model parameters were determined from batch tests. Black-Right-Pointing-Pointer HYDRUS simulated well the fate and transport of phenol in a fully saturated waste column. Black-Right-Pointing-Pointer The batch biodegradation rate and the rate obtained by inverse modeling differed by a factor of {approx}2. Black-Right-Pointing-Pointer Tracer tests showed the importance of hydrodynamic parameters to improve model estimates. - Abstract: An assessment of the risk to human health and the environment associated with the presence of organic contaminants (OCs) in landfills necessitates reliable predictive models. The overall objectives of this study were to (1) conduct column experiments to measure the fate and transport of an OC in a simulated solid waste mixture, (2) compare the results of column experiments to model predictions using HYDRUS-1D (version 4.13), a contaminant fate and transport model that can be parameterized to simulate the laboratory experimental system, and (3) determine model input parameters from independently conducted batch experiments. Experiments were conducted in which sorption only and sorption plus biodegradation influenced OC transport. HYDRUS-1D can reasonably simulate the fate and transport of phenol in an anaerobic and fully saturated waste column in which biodegradation and sorption are the prevailing fate processes. The agreement between model predictions and column data was imperfect (i.e., within a factor of two) for the sorption plus biodegradation test and the error almost certainly lies in the difficulty of measuring a biodegradation rate that is applicable to the column conditions. Nevertheless, a biodegradation rate estimate that is within a factor of two or even five may be adequate in the context of a landfill, given the extended retention time and the fact that leachate release will be controlled by the infiltration rate which can be minimized by engineering controls.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

On the influence of the power plant operational history on the inventory and the uncertainties of radionuclides relevant for the final disposal of PWR spent fuel - 15149

A mandatory requisite for official granting safe final disposal approval of SNF is the comprehensive specification and declaration of the nuclear inventory in SNF by the NPP-operators. The whole radiochemical characterization of each spent fuel assembly hides many difficulties such as very high radiation burden, destruction method, the inhomogeneous burn-up of fuel assembly, very high cost. Thus, non-destructive characterization is usually applied on industrial scale. In this case only several nuclides can be measured, and the rest is calculated using simulations and typical irradiation history. Like any other German rad-waste acceptance requirements all these declarations will have to be checked and verified by an independent inspector. In this verification process not only values of radionuclide (RN) activities are important, but also their uncertainties. The simple simulation using burn-up calculations based on typical and generic reactor operational parameters do not answer the question about possible uncertainties observed in real reactor operations. At the same time, the details of irradiation history are often unknown, which complicates the assessment of declared RN inventories. Therefore, the development of dedicated generic proof tools, which can be applied to different types of waste, often of unknown origin and history is worth a serious consideration. Here, we have compiled a set of burn-up calculations considering the operational history of 339 published or anonymized real PWR fuel assemblies. This gives us the possibility to calculate the realistic variation or spectrum of RN inventories. These histories were used as a basis for 'SRP analysis', to provide information about the range of the values of the associated secondary reactor parameters (SRP's), i.e. initial enrichment (IE), specific power (SP), irradiation time (IT), downtime (DT), boric acid concentration (BA), moderator and fuel density (MD and FD) and temperatures (MT and MT) used as input parameters for the simulation models. Then, burn-up calculation codes provide the anticipated results for the entire nuclear inventory such as characteristic activity values and the corresponding minimum and maximum limits as a function of the fuel burn-up. These results are being validated with the experimental data from various publications and the online database - SFCOMPO and subsequently transferred and summarized into our own database. Ultimately, this database will provide the basis of proof tools for the operator independent verification of the declared nuclear inventories for the quality and safety assessment of a radioactive waste compound and bounding values for certain RN as a function of burn-up. The RN inventory can hence be verified without taking credit of the whole of the operational history of the SNF. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗