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Towards a Scalable and Adaptive Application Support Platform for Large-Scale Distributed E-Sciences in High-Performance Network Environments

The advent of large-scale collaborative scientific applications has demonstrated the potential for broad scientific communities to pool globally distributed resources to produce unprecedented data acquisition, movement, and analysis. System resources including supercomputers, data repositories, computing facilities, network infrastructures, storage systems, and display devices have been increasingly deployed at national laboratories and academic institutes. These resources are typically shared by large communities of users over Internet or dedicated networks and hence exhibit an inherent dynamic nature in their availability, accessibility, capacity, and stability. Scientific applications using either experimental facilities or computation-based simulations with various physical, chemical, climatic, and biological models feature diverse scientific workflows as simple as linear pipelines or as complex as a directed acyclic graphs, which must be executed and supported over wide-area networks with massively distributed resources. Application users oftentimes need to manually configure their computing tasks over networks in an ad hoc manner, hence significantly limiting the productivity of scientists and constraining the utilization of resources. The success of these large-scale distributed applications requires a highly adaptive and massively scalable workflow platform that provides automated and optimized computing and networking services. This project is to design and develop a generic Scientific Workflow Automation and Management Platform (SWAMP), which contains a web-based user interface specially tailored for a target application, a set of user libraries, and several easy-to-use computing and networking toolkits for application scientists to conveniently assemble, execute, monitor, and control complex computing workflows in heterogeneous high-performance network environments. SWAMP will enable the automation and management of the entire process of scientific workflows with the convenience of a few mouse clicks while hiding the implementation and technical details from end users. Particularly, we will consider two types of applications with distinct performance requirements: data-centric and service-centric applications. For data-centric applications, the main workflow task involves large-volume data generation, catalog, storage, and movement typically from supercomputers or experimental facilities to a team of geographically distributed users; while for service-centric applications, the main focus of workflow is on data archiving, preprocessing, filtering, synthesis, visualization, and other application-specific analysis. We will conduct a comprehensive comparison of existing workflow systems and choose the best suited one with open-source code, a flexible system structure, and a large user base as the starting point for our development. Based on the chosen system, we will develop and integrate new components including a black box design of computing modules, performance monitoring and prediction, and workflow optimization and reconfiguration, which are missing from existing workflow systems. A modular design for separating specification, execution, and monitoring aspects will be adopted to establish a common generic infrastructure suited for a wide spectrum of science applications. We will further design and develop efficient workflow mapping and scheduling algorithms to optimize the workflow performance in terms of minimum end-to-end delay, maximum frame rate, and highest reliability. We will develop and demonstrate the SWAMP system in a local environment, the grid network, and the 100Gpbs Advanced Network Initiative (ANI) testbed. The demonstration will target scientific applications in climate modeling and high energy physics and the functions to be demonstrated include workflow deployment, execution, steering, and reconfiguration. Throughout the project period, we will work closely with the science communities in the fields of climate modeling and high energy physics including Spallation Neutron Source (SNS) and Large Hadron Collider (LHC) projects to mature the system for production use.

97 MATHEMATICS AND COMPUTING↗

Stanford Thermal Earth Model for the Conterminous United States

Provided here are various forms of the Stanford Thermal Earth Model, as well as the data and methods used for its creation. The predictions produced by this model were visualized in two-dimensional spatial maps across the modeled depths (0-7 km) for the conterminous United States. The thermal earth model is made available as an application programming interface (API) and as feature layers on ArcGIS, which are both provided via links below. A data-driven spatial interpolation algorithm based on physics-informed graph neural networks was used to develop these national temperature-at-depth maps. The model satisfied the three-dimensional heat conduction law by predicting subsurface temperature, surface heat flow, and rock thermal conductivity. Many physical quantities, including bottomhole temperature, depth, geographic coordinates, elevation, sediment thickness, magnetic anomaly, gravity anomaly, gamma-ray flux of radioactive elements, seismicity, and electric conductivity were used as model inputs. Surface heat flow, temperature, and thermal conductivity predictions were constructed for depths of 0-7 km at an interval of 1 km with spatial resolution of 18 km2 per grid cell. The model showed superior temperature, surface heat flow and thermal conductivity mean absolute errors of 4.8C, 8.1 mW/m2 and 0.07 W/(C-m), respectively..

15 GEOTHERMAL ENERGY↗

Energy-Efficient and Comfortable Buildings through Multivariate Integrated Control (ECoMIC)

This project aims to develop an integrated control solution for enhanced energy efficiency and user comfort in commercial buildings. The developed technology is a zone-based control framework that minimizes energy usage while maintaining occupants’ visual and thermal comfort through control of electric lights, motorized venetian blinds and thermostats. The control framework is designed following a modular, scalable and flexible architecture to facilitate easy integration with exiting building management systems. The control framework contains two key algorithms: 1) the lighting load balancing algorithm and 2) the thermostat control algorithm. The lighting load balancing algorithm adopts a model-based closed-loop control approach to determine the optimal electric light and venetian blind settings. It is formulated into an optimization problem with minimizing lighting-related energy consumptions as the objective and delivering adequate task light and preventing daylight glare as the constraints. The thermostat control algorithm is based on a well-established thermal comfort model and formulated as a root-finding problem to dynamically determine the optimal thermostat setpoint for both energy savings and improved thermal comfort. To address building-wide scalability, a system architecture was developed for the zone-based control technology. Three levels of services are defined in the architecture: external services, facility level services and zone level services. The zone-level service includes the control algorithms described above as well as the corresponding interfaces, profiles, sensors and actuators to realize the zone controller. The facility level services connect to the zones through a backbone network, handle supervisory level information and controls, and thus facilitate building-wide scalability. The external services provide communication capability to entities outside of the building for grid interaction and remote access. Various aspects of the developed control technology were evaluated and verified through both simulations and testbed implementations. Simulations coupling a DOE medium office reference building in EnergyPlus building simulation software and a prototype controller in Matlab were performed. During summer time in a mixed-humid climate zone, the simulations revealed reductions of 27% and 42% in electric lighting load and cooling load, respectively, when compared to an advanced base case with daylight dimming and blinds automatically tilted to block direct sun. Two single-room testbeds were established. The testbed at Philips Lighting business building (Rosemont, IL) was designed for quantifying energy performance of integrated controls. This particular implementation achieved 40% and 79% savings on lighting and HVAC energy, respectively, compared to a relatively simple base case operated on predefined schedules. While the resulting energy savings was very encouraging, it should be noted that there may be several caveats associated with it. 1) The test was run during late spring and early summer, and the savings numbers might not be directly used to extrapolate the annual energy savings. 2) Due to the needs for separate control and metering of the small-scale demonstrator within a large building, the HVAC system, hence the corresponding savings, did not represent a typical energy code-compliant design. 3) The light level in the control case was regulated at a particular setpoint, which was lower than then the full-on light level in the base case, and the savings resulted from tuning down the light level to the setpoint was not attributable to the contribution of the developed technology. The testbed at the Lawrence Berkeley National Laboratory (Berkeley, CA) specifically focused on glare control integration, and has demonstrated the feasibility and capability of the glare detection and prevention technique. While the short one-month test in this testbed provided a functional indication of the developed technology, and it would require at least a full solstice-to-solstice cycle to ruinously quantify the performance, which was not possible within the project timeframe. There are certain limitations inherited from the operational assumptions, which could potentially affect the effectiveness and applicability of the developed control technologies. The system takes a typical ceiling-mounting approach for the photosensor locations, and therefore, the control performance relies on proper commissioning or the built-in intelligence of the photosensor for pertinent task light level estimations. For spaces where daylight penetration diminishes significantly deeper into the zone, certain modification to the control algorithms is required to accommodate multiple lighting control subzones and the corresponding sensors for providing a more uniform light level across the entire zone. Integrated control of visual and thermal comfort requires the lighting control zone and thermal control zone to coincide with each other. In other words, the area illuminated by a lighting circuit needs to be the same area served by the thermostat. Thus, the original zoning will potentially constrain the applicability of this technology in retrofitting projects. This project demonstrated the technical feasibility of a zone-based integrated control technology. From the simulation results and testbed implementations, up to 60% lighting energy savings in daylit areas relative to a “no-controls” case can easily be achieved. A 20% reduction of whole building energy consumption is also attainable. In the aspect of occupant comfort, the testbed demonstrated the ability to maintain specified light level on the workplane while promptly mitigate daylight glare 90% of the time. The control system also managed to maintain the thermal environment at a comfortable level 90% of the time. The aspect of system scalability was guaranteed by the system architecture design, based on which the testbeds were instantiated. Analysis on the aspect of economic benefit has yielded an about 6-year payback time for a medium-sized building, including the installation of all hardware and software, such as motorized blinds and LED luminaires. The payback time can be significantly reduced if part of the hardware is already in place for retrofitting projects. It needs to be noted that since the payback analysis was partly based on the testbed performance results, it is constrained by the caveats associated with the testbed implementations. The main uncertainty lies in the contribution from the space conditioning energy savings as it was non-trivial to realistically configure a room-size HVAC system for directly extrapolating whole-building HVAC energy savings. It is recommended to further evaluate the developed technology at a larger scale, where the lighting and HVAC energy consumption can be realistically measured at the building level, to more rigorously quantify the performance potentials.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

APBSmem: A Graphical Interface for Electrostatic Calculations at the Membrane

Electrostatic forces are one of the primary determinants of molecular interactions. They help guide the folding of proteins, increase the binding of one protein to another and facilitate protein-DNA and protein-ligand binding. A popular method for computing the electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation, and there are several easy-to-use software packages available that solve the PB equation for soluble proteins. Here we present a freely available program, called APBSmem, for carrying out these calculations in the presence of a membrane. The Adaptive Poisson-Boltzmann Solver (APBS) is used as a back-end for solving the PB equation, and a Java-based graphical user interface (GUI) coordinates a set of routines that introduce the influence of the membrane, determine its placement relative to the protein, and set the membrane potential. The software Jmol is embedded in the GUI to visualize the protein inserted in the membrane before the calculation and the electrostatic potential after completing the computation. We expect that the ease with which the GUI allows one to carry out these calculations will make this software a useful resource for experimenters and computational researchers alike. Three examples of membrane protein electrostatic calculations are carried out to illustrate how to use APBSmem and to highlight the different quantities of interest that can be calculated.

59 BASIC BIOLOGICAL SCIENCES↗

Sci-Vis Framework

SVF is a full featured OpenGL 3d framework that allows for rapid creation of complex visualizations. The SVF framework handles much of the lifecycle and complex tasks required for a 3d visualization. Unlike a game framework SVF was designed to use fewer resources, work well in a windowed environment, and only render when necessary. The scene also takes advantage of multiple threads to free up the UI thread as much as possible. Shapes (actors) in the scene are created by adding or removing functionality (through support objects) during runtime. This allows a highly flexible and dynamic means of creating highly complex actors without the code complexity (it also helps overcome the lack of multiple inheritance in Java.) All classes are highly customizable and there are abstract classes which are intended to be subclassed to allow a developer to create more complex and highly performant actors. There are multiple demos included in the framework to help the developer get started and shows off nearly all of the functionality. Some simple shapes (actors) are already created for you such as text, bordered text, radial text, text area, complex paths, NURBS paths, cube, disk, grid, plane, geometric shapes, and volumetric area. It also comes with various camera types for viewing that can be dragged, zoomed, and rotated. Picking or selecting items in the scene can be accomplished in various ways depending on your needs (raycasting or color picking.) The framework currently has functionality for tooltips, animation, actor pools, color gradients, 2d physics, text, 1d/2d/3d textures, children, blending, clipping planes, view frustum culling, custom shaders, and custom actor states

Arthur Bleeker, PNNL↗

Sci-Vis Framework

SVF is a full featured OpenGL 3d framework that allows for rapid creation of complex visualizations. The SVF framework handles much of the lifecycle and complex tasks required for a 3d visualization. Unlike a game framework SVF was designed to use fewer resources, work well in a windowed environment, and only render when necessary. The scene also takes advantage of multiple threads to free up the UI thread as much as possible. Shapes (actors) in the scene are created by adding or removing functionality (through support objects) during runtime. This allows a highly flexible and dynamic means of creating highly complex actors without the code complexity (it also helps overcome the lack of multiple inheritance in Java.) All classes are highly customizable and there are abstract classes which are intended to be subclassed to allow a developer to create more complex and highly performant actors. There are multiple demos included in the framework to help the developer get started and shows off nearly all of the functionality. Some simple shapes (actors) are already created for you such as text, bordered text, radial text, text area, complex paths, NURBS paths, cube, disk, grid, plane, geometric shapes, and volumetric area. It also comes with various camera types for viewing that can be dragged, zoomed, and rotated. Picking or selecting items in the scene can be accomplished in various ways depending on your needs (raycasting or color picking.) The framework currently has functionality for tooltips, animation, actor pools, color gradients, 2d physics, text, 1d/2d/3d textures, children, blending, clipping planes, view frustum culling, custom shaders, and custom actor states

Arthur Bleeker, PNNL↗

Scientific Workflows Composition and Deployment on SOA Frameworks

Scientific workflows normally consist of multiple applications acquiring and transforming data, running data intensive analyses and visualizing the results for scientific discovery. To compose and deploy such scientific workflows, an SOA platform can provide integration of third-party components, services, and tools. In this paper, we present our application of Service-Oriented Architecture (SOA) to compose and deploy systems biology workflows. In developing this application, our solution uses MeDICi a middleware framework built on SOA platforms as an integration layer. We discuss our experience and lessons learnt about this solution that are generally applicable to scientific workflows in other domains.

99 GENERAL AND MISCELLANEOUS↗

Bentonite buffer under high temperature: laboratory experiments and coupled process modeling

Abstract. Bentonite buffer in a geological repository will be simultaneously heated from decaying radioactive waste and hydrated from the surrounding host rock, triggering complex and coupled THMC (thermal–hydrological–mechanical–chemical) processes. Understanding the THMC behavior of bentonite-based engineered barrier system (EBS) is key to the evaluation and prediction of its long-term performance. Studies on the THMC process have been focused on conditions under 100 ∘C, as most design concepts impose a thermal limit of 100 ∘C in bentonite. Recently, studies under high-temperature conditions have been conducted to evaluate the possibility of raising the thermal limit and expanding the data/knowledge base to increase the confidence level. In this abstract, we present a series of bench-scale laboratory experiments at high temperatures (up to 200 ∘C) and the corresponding modeling work. Two sets of column tests were conducted, and each set consisted of two test columns: a control column undergoing only hydration (non-heated) and an experiment column experiencing both heating and hydration (heated). During the experiment, frequent X-ray computed tomography (CT) images were collected to provide a 3D visualization of the density distribution and present the spatiotemporal evolution of (1) hydration/dehydration, (2) clay swelling/shrinkage, (3) displacement, and (4) mineral precipitation. The two sets of tests differ with respect to several experimental conditions, such as bentonite type, compacted density and water content, water chemistry, and hydration pressure, but the important difference is that the first set used bentonite powder with a dry density of 1.28 g cm−3, whereas the second set used granulated bentonite (mixture of pellets and powder) with a dry density of 1.45–1.5 g cm−3. In both sets of experiments, a comprehensive post-dismantling characterization of bentonite samples was carried out after the column tests had been running for 1.5 years. Comparing non-heated and heated columns, the temperature gradient led to lower degree of homogenization of bentonite after bentonite became fully saturated; comparing the first and second sets, granulated and powdered bentonite exhibited drastically different hydration behavior. A THM model with a 2D axisymmetric grid system was used to interpret the data from the first set of tests. The model considers the combined impact of saturation, fluid pressure, and porosity change due to swelling/compression on the spatiotemporal distribution of bulk density and movement of the thermocouple modules. Observations from the tests help us understand the early perturbation of bentonite buffer under high temperature, and data from these tests improve the calibration of key constitutive hydrological and mechanical models and, therefore, enhance the modeling capability with respect to calculating the long-term evolution of bentonite buffer.

Zheng, Liange↗

Elucidating a dissolution–deposition reaction mechanism by multimodal synchrotron X-ray characterization in aqueous Zn/MnO 2 batteries

Aqueous Zn/MnO 2 batteries with their environmental sustainability and competitive cost, are becoming a promising, safe alternative for grid-scale electrochemical energy storage. Here, presented as a promising design principle to deliver a higher theoretical capacity, this work offers fundamental understanding of the dissolution–deposition mechanism of Zn/β-MnO 2 . A multimodal synchrotron characterization approach including three operando X-ray techniques (powder diffraction, absorption spectroscopy, and fluorescence microscopy) is coupled with elementally resolved synchrotron X-ray nano-tomography. Together they provide a direct correlation between structural evolution, reaction chemistry, and 3D morphological changes. Operando synchrotron X-ray diffraction and spectroscopy show a crystalline-to-amorphous phase transition. Quantitative modeling of the operando data by Rietveld refinement for X-ray diffraction and multivariate curve resolution (MCR) for X-ray absorption spectroscopy are used in a complementary fashion to track the structural and chemical transitions of both the long-range (crystalline phases) and short-range (including amorphous phases) ordering upon cycling. Scanning X-ray microscopy and full-field nano-tomography visualizes the morphology of electrodes at different electrochemical states with elemental sensitivity to spatially resolve the formation of the Zn- and Mn-containing phases. Overall, this work critically indicates that for Zn/MnO 2 aqueous batteries, the reaction pathways involving Zn–Mn complex formation upon cycling become independent of the polymorphs of the initial electrode and sheds light on the interplay among structural, chemical, and morphological evolution for electrochemically driven phase transitions.

36 MATERIALS SCIENCE↗

Aerosol indirect effect on the grid-scale clouds in the two-way coupled WRF–CMAQ: model description, development, evaluation and regional analysis

This study implemented first, second and glaciation aerosol indirect effects (AIE) on resolved clouds in the two-way coupled Weather Research and Forecasting Community Multiscale Air Quality (WRF–CMAQ) modeling system by including parameterizations for both cloud drop and ice number concentrations on the basis of CMAQ-predicted aerosol distributions and WRF meteorological conditions. The performance of the newly developed WRF–CMAQ model, with alternate Community Atmospheric Model (CAM) and Rapid Radiative Transfer Model for GCMs (RRTMG) radiation schemes, was evaluated with observations from the Clouds and the See http://ceres.larc.nasa.gov/ . Earth's Radiant Energy System (CERES) satellite and surface monitoring networks (AQS, IMPROVE, CASTNET, STN, and PRISM) over the continental US (CONUS) (12 km resolution) and eastern Texas (4 km resolution) during August and September of 2006. The results at the Air Quality System (AQS) surface sites show that in August, the normalized mean bias (NMB) values for PM 2.5 over the eastern US (EUS) and the western US (WUS) are 5.3% (-0.1%) and 0.4% (-5.2%) for WRF–CMAQ/CAM (WRF–CMAQ/RRTMG), respectively. The evaluation of PM 2.5 chemical composition reveals that in August, WRF–CMAQ/CAM (WRF–CMAQ/RRTMG) consistently underestimated the observed SO 4 2- by -23.0% (-27.7%), -12.5% (-18.9%) and -7.9% (-14.8%) over the EUS at the Clean Air Status Trends Network (CASTNET), Interagency Monitoring of Protected Visual Environments (IMPROVE) and Speciated Trends Network (STN) sites, respectively. Both configurations (WRF–CMAQ/CAM, WRF–CMAQ/RRTMG) overestimated the observed mean organic carbon (OC), elemental carbon (EC) and and total carbon (TC) concentrations over the EUS in August at the IMPROVE sites. Both configurations generally underestimated the cloud field (shortwave cloud forcing, SWCF) over the CONUS in August due to the fact that the AIE on the subgrid convective clouds was not considered when the model simulations were run at the 12 km resolution. This is in agreement with the fact that both configurations captured SWCF and longwave cloud forcing (LWCF) very well for the 4 km simulation over eastern Texas, when all clouds were resolved by the finer resolution domain. The simulations of WRF–CMAQ/CAM and WRF–CMAQ/RRTMG show dramatic improvements for SWCF, LWCF, cloud optical depth (COD), cloud fractions and precipitation over the ocean relative to those of WRF default cases in August. The model performance in September is similar to that in August, except for a greater overestimation of PM 2.5 due to the overestimations of SO 4 2- , NH 4 + , NO 3 - , and TC over the EUS, less underestimation of clouds (SWCF) over the land areas due to the lower SWCF values, and fewer convective clouds in September. Finally, this work shows that inclusion of indirect aerosol effect treatments in WRF–CMAQ represents a significant advancement and milestone in air quality modeling and the development of integrated emissions control strategies for air quality management and climate change mitigation.

indirect aerosol forcing↗

Statistical analysis of support thickness and particle size effects in HRTEM imaging of metal nanoparticles

High-resolution transmission electron microscopy (HRTEM) examination of nanoparticles requires their placement on some manner of support – either TEM grid membranes or part of the material itself, as in many heterogeneous catalyst systems – but a systematic quantification of the practical imaging limits of this approach has been lacking. Here, in this paper, we address this issue through a statistical evaluation of how nanoparticle size and substrate thickness affects the ability to resolve structural features of interest in HRTEM images of metallic nanoparticles on common support membranes. The visibility of lattice fringes from crystalline Au nanoparticles on amorphous carbon and silicon supports of varying thickness was investigated with both conventional and aberration-corrected TEM. Over the 1–4 nm nanoparticle size range examined, the probability of successfully resolving lattice fringes differed significantly as a function both of nanoparticle size and support thickness. Statistical analysis was used to formulate guidelines for the selection of supports and to quantify the impact a given support would have on HRTEM imaging of crystalline structure. For nanoparticles ≥1 nm, aberration-correction was found to provide limited benefit for the purpose of visualizing lattice fringes; electron dose is more predictive of lattice fringe visibility than aberration correction. These results confirm that the ability to visualize lattice fringes is ultimately dependent on the signal-to-noise ratio of the HRTEM images, rather than the point-to-point resolving power of the microscope. Lastly, this study provides a benchmark for HRTEM imaging of crystalline supported metal nanoparticles and is extensible to a wide variety of supports and nanostructures.

36 MATERIALS SCIENCE↗

Dispatchable Solar Power Plant Project

As penetration of intermittent renewable power increases, grid operators must manage greater variability in the supply and demand on the grid. One result is that utilities are planning to build many new natural gas peaking power plants that provide added flexibility needed for grid management. This report discusses the development of a dispatchable solar power (DSP) plant that can be used in place of natural gas peakers. Specifically, a new molten-salt tower (MST) plant has been developed that is designed to allow much more flexible operation than typically considered in concentrating solar power plants. As a result, this plant can provide most of the capacity and ancillary benefits of a conventional natural gas peaker plant but without the carbon emissions. The DSP system presented was designed to meet the specific needs of the Arizona Public Service (APS) utility 2017 peaking capacity request for proposals (RFP). The goal of the effort was to design a MST peaker plant that had the operational capabilities required to meet the peaking requirements of the utility and be cost competitive with the natural gas alternative. The effort also addresses many perceived barriers facing the commercial deployment of MST technology in the US today. These include MST project development issues such as permitting, avian impacts, visual impacts of tower CSP projects, project schedule, and water consumption. The DSP plant design is based on considerable analyses using sophisticated solar system design tools and in-depth preliminary engineering design. The resulting DSP plant design uses a 250 MW steam power cycle, with solar field designed to fit on a square mile plot of land that has a design point thermal rating of 400 MWt. The DSP plant has an annual capacity factor of about 16% tailored to deliver greater than 90% capacity during the critical Arizona summer afternoon peak. The table below compares the All-In energy cost and capacity payment of conventional combustion turbines to DSP plants. These results estimate that the cost of the DSP plant is about 10% higher than a similarly-sized and operated frame combustion turbine and slightly cheaper than an aero derivative combustion turbine when APS reference fuel and emissions costs are included. The DSP plant cost is based on a single, first-of-a-kind plant, and it is likely that subsequent plants would be less expensive.

14 SOLAR ENERGY↗

Probabilistic Deliverability Assessment of Distributed Energy Resources via Scenario-Based AC Optimal Power Flow

As electric grids decarbonize and distributed energy resources (DERs) become increasingly prevalent, interconnection assessments must evolve to reflect operational variability and control flexibility. This paper highlights key modeling limitations observed in practice and reviews approaches for modeling uncertainty. It then introduces a Probabilistic Deliverability Assessment (PDA) framework designed to complement and extend existing procedures. The framework integrates scenario-based AC optimal power flow (AC OPF), corrective dispatch, and optional multi-temporal constraints. Together, these form a structured methodology for quantifying DER utilization, deliverability, and reliability under uncertainty in load, generation, and topology. Outputs include interpretable metrics with confidence intervals that inform siting decisions and evaluate compliance with reliability thresholds across sampled operating conditions. A case study on Puerto Rico’s publicly available bulk power system model demonstrates the framework’s application using minimal input data, consistent with current interconnection practice. Across staged fossil generation retirements, the PDA identifies high-value DER sites and regions requiring additional reactive power support. Results are presented through mean dispatch signals, reliability metrics, and geospatial visualizations, demonstrating how the framework provides transparent, data-driven siting recommendations. The framework’s modular design supports incremental adoption within existing workflows, encouraging broader use of AC OPF in interconnection and planning contexts.

14 SOLAR ENERGY↗

DASSH-F: Subchannel Based Thermal Analysis

The DASSH thermal analysis code is designed to rapidly allow a reactor design engineer to obtain flow rates requirements that satisfy peak temperature constraints in the domain. The advantage of using DASSH over a hand calculation is that it has a more rigorous treatment of the pin power distribution and coolant heat transfer within an assembly and between assemblies. The advantage of using DASSH over a conventional 3D subchannel code or a computational fluid dynamics code (CFD) is that it can obtain the desired solution in a matter of minutes in serial with minor computer memory needs. The DASSH methodology is virtually identical to SUPERENERGY-2 with additional functionalities taken from follow on work to SUPERENERGY-2 done at ANL in the 1980s. DASSH today is an integral component of the Argonne Fast Reactor analysis suite for reactor design work. DASSH obtains the power distribution from a coupled neutron-gamma heating calculation in GAMSOR (including DIF3D) at each time point of a companion fuel cycle analysis calculation with REBUS. The domain in DASSH assumes a hexagonal grid typical for fast reactors with much of the geometry information taken from the DIF3D model. DASSH assumes the assemblies that are loaded into each grid position are ducted to control the coolant flow. Considerable detail is given on the subchannel formulation of DASSH in this document. Much of the formulation and design of the code builds upon research done by previous authors with little new investigation. Thus the decisions made in developing the subchannel model used in DASSH have their origins over 50 years ago. Much of the heat transfer methodology in DASSH is built upon correlations for both the coolant mixing and heat transfer coefficients for pins and ducts. DASSH is thus not a rigorous treatment of a given problem, but a rapid assessment of the temperature field that has known limitations with respect to an experimental measurement or CFD calculation. The DASSH input and output are detailed along with usage of the software. The DASSH output provides tables of evaluated material properties and key coolant and pin temperature results. DASSH can create Python scripts that generate domain summary pictures. DASSH can also generate assembly temperature maps and VTK output files which allow the DASSH solution to be visualized. As the primary purpose of the DASSH software is to compute the coolant and fuel pin temperature distribution for a given model of a reactor, much of the output focus is giving the user quick summary tables needed to assess the performance of a given orifice flow specification. The present version of DASSH has a crude orifice search capability and an efficient orifice flow search capability. The flow search tries to meet user specified constraints for 1) peak 2-sigma clad midwall temperature, 2) peak coolant temperature, and 3) desired bulk outlet temperature. There are many development shortcomings in DASSH detailed in this document, but this version is functional for modern analysis needs. This document serves as the manual for the Fortran based DASSH software that was developed to replace the Python version of DASSH developed as part of the VTR program.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

HIDES: Hybrid Intrusion Detector for Energy Systems

The establishment of a resilient electric grid accompanied by a secure communications network is an ongoing battle as advanced persistent threats continue to exploit existing vulnerabilities in legacy supervisory control and data acquisition system (SCADA) infrastructure. Traditional intrusion detection systems (IDSs) lack consistent performance because of the continuously evolving attack surface of SCADA systems. These shortcomings can be overcome by integrating logical system behavior, protocol-specific knowledge, and data-based learning to develop a comprehensive IDS solution. In this paper, we present a Hybrid Intrusion Detector for Energy Systems by integrating a network-based IDS, state-of-the-art machine learning-based IDS, and model-based IDS to detect unknown and stealthy cyberattacks targeting the SCADA networks. The proposed IDS uses synchrophasor measurements and cyber logs to learn patterns of different scenarios based on spatiotemporal behaviors of power systems. As a proof of concept, we implement and validate the proposed IDS by leveraging resources available at the National Renewable Energy Laboratory's Energy Systems Integration Facility test bed. Experimental results show promising performance in detecting cyberattacks while providing realtime visualization of power system measurements and cyber logs.

machine-learning intrusion detection system↗

Extension of the Supercritical Carbon Dioxide Brayton Cycle to Low Reactor Power Operation: Investigations using the Coupled ANL Plant Dynamics Code-SAS4A/SASSYS-1 Liquid Metal Reactor Code System

Significant progress has been made on the development of a control strategy for the supercritical carbon dioxide (S-CO 2 ) Brayton cycle enabling removal of power from an autonomous load following Sodium-Cooled Fast Reactor (SFR) down to decay heat levels such that the S-CO 2 cycle can be used to cool the reactor until decay heat can be removed by the normal shutdown heat removal system or a passive decay heat removal system such as Direct Reactor Auxiliary Cooling System (DRACS) loops with DRACS in-vessel heat exchangers. This capability of the new control strategy eliminates the need for use of a separate shutdown heat removal system which might also use supercritical CO 2 . It has been found that this capability can be achieved by introducing a new control mechanism involving shaft speed control for the common shaft joining the turbine and two compressors following reduction of the load demand from the electrical grid to zero. Following disconnection of the generator from the electrical grid, heat is removed from the intermediate sodium circuit through the sodium-to-CO 2 heat exchanger, the turbine solely drives the two compressors, and heat is rejected from the cycle through the CO 2 -to-water cooler. To investigate the effectiveness of shaft speed control, calculations are carried out using the coupled Plant Dynamics Code-SAS4A/SASSYS-1 code for a linear load reduction transient for a 1000 MWt metallic-fueled SFR with autonomous load following. No deliberate motion of control rods or adjustment of sodium pump speeds is assumed to take place. It is assumed that the S-CO 2 turbomachinery shaft speed linearly decreases from 100 to 20% nominal following reduction of grid load to zero. The reactor power is calculated to autonomously decrease down to 3% nominal providing a lengthy window in time for the switchover to the normal shutdown heat removal system or for a passive decay heat removal system to become effective. However, the calculations reveal that the compressor conditions are calculated to approach surge such that the need for a surge control system for each compressor is identified. Thus, it is demonstrated that the S-CO 2 cycle can operate in the initial decay heat removal mode even with autonomous reactor control. Because external power is not needed to drive the compressors, the results show that the S-CO 2 cycle can be used for initial decay heat removal for a lengthy interval in time in the absence of any off-site electrical power. The turbine provides sufficient power to drive the compressors. Combined with autonomous reactor control, this represents a significant safety advantage of the S-CO 2 cycle by maintaining removal of the reactor power until the core decay heat falls to levels well below those for which the passive decay heat removal system is designed. The new control strategy is an alternative to a split-shaft layout involving separate power and compressor turbines which had previously been identified as a promising approach enabling heat removal from a SFR at low power levels. The current results indicate that the split-shaft configuration does not provide any significant benefits for the S-CO 2 cycle over the current single-shaft layout with shaft speed control. It has been demonstrated that when connected to the grid the single-shaft cycle can effectively follow the load over the entire range. No compressor speed variation is needed while power is delivered to the grid. When the system is disconnected from the grid, the shaft speed can be changed as effectively as it would be with the split-shaft arrangement. In the split-shaft configuration, zero generator power means disconnection of the power turbine, such that the resulting system will be almost identical to the single-shaft arrangement. Without this advantage of the split-shaft configuration, the economic benefits of the single-shaft arrangement, provided by just one turbine and lower losses at the design point, are more important to the overall cycle performance. Therefore, the single-shaft configuration shall be retained as the reference arrangement for S-CO 2 cycle power converter preconceptual designs. Improvements to the ANL Plant Dynamics Code have been carried out. The major code improvement is the introduction of a restart capability which simplifies investigation of control strategies for very long transients. Another code modification is transfer of the entire code to a new Intel Fortran complier; the execution of the code using the new compiler was verified by demonstrating that the same results are obtained as when the previous Compaq Visual Fortran compiler was used.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Feeder Voltage Regulation with High-Penetration PV Using Advanced Inverters and a Distribution Management System: A Duke Energy Case Study

Duke Energy, Alstom Grid, and the National Renewable Energy Laboratory teamed up to better understand the impacts of solar photovoltaics (PV) on distribution system operations. The core goal of the project is to compare the operational - specifically, voltage regulation - impacts of three classes of PV inverter operations: 1.) Active power only (Baseline); 2.) Local inverter control (e.g., PF...not equal...1, Q(V), etc.); and 3.) Integrated volt-VAR control (centralized through the distribution management system). These comparisons were made using multiple approaches, each of which represents an important research-and-development effort on its own: a) Quasi-steady-state time-series modeling for approximately 1 year of operations using the Alstom eTerra (DOTS) system as a simulation engine, augmented by Python scripting for scenario and time-series control and using external models for an advanced inverter; b) Power-hardware-in-the-loop (PHIL) testing of a 500-kVA-class advanced inverter and traditional voltage regulating equipment. This PHIL testing used cosimulation to link full-scale feeder simulation using DOTS in real time to hardware testing; c) Advanced visualization to provide improved insights into time-series results and other PV operational impacts; and d) Cost-benefit analysis to compare the financial and business-model impacts of each integration approach.

14 SOLAR ENERGY↗

USAID Haiti Training Session #2: Introduction to Engage [Slides]

Welcome to Engage! Engage is a capacity expansion modeling tool supported by the National Renewable Energy Laboratory and based on the Calliope open-source capacity expansion model developed by the ETH Zurich University, maintained at the TU Delft University. Engage is an accessible (free, open-access, web-hosted) and flexible web-based energy system planning application for rapid multiple-energy-form energy system scenario exploration. Its cloud-based, collaborator-sharable data model, intuitive interface and visualization capabilities facilitate collaboration and communication among teams, with experts, and among diverse stakeholder groups exploring energy system implications from district to national-scale models. This training series was developed under USAID to empower Haitian stakeholders to explore modeling scenarios in Engage to develop a Haiti Energy Master Plan. This training series includes a general overview of how Engage works along with tailored exercises that target Haiti's specific energy needs, such as modeling the capacity expansion of the bulk power system, fuel scarcity challenges, the development of microgrids, and the economic viability of transmission strategies. See NREL/PR-7A40-89369 for the French translation of this document.

24 POWER TRANSMISSION AND DISTRIBUTION↗