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DOE OSTI2024

Hazards and Probabilistic Risk Assessments of a Light-Water Reactor Coupled with Industrial Facilities

This report provides a roadmap and toolkit for site-specific risk assessments across a broad range of industrial customers co-located with nuclear power plants (NPPs). This report builds upon the body of work sponsored by the Department of Energy (DOE) Light-Water Reactor Sustainability (LWRS) Flexible Plant Operation and Generation Pathway that presented hazards assessment and generic probabilistic risk assessments (PRAs) for the addition of a heat extraction system (HES) to light-water reactors co-located with hydrogen production facilities. The report expands the hazards assessments to include other industrial facilities: an oil refinery, a methanol plant, a synthetic fuel (synfuel) plant, the production of synthetic gas (syngas) as part of the methanol and synfuel plants, and wood pulp and paper mills. All these facilities are specified through industrial process and requirements research performed by national laboratories, universities, and interaction with industry. Many of the processes used in this report are pre-conceptual designs to use for decarbonization of the current technology facilities. A process of failure modes and effects analysis (what can go wrong) and accidentology (what has historically gone wrong) was used to determine the hazards presented to the NPP by the addition of the HES and the industrial customer. Chemical properties of feedstocks and products are summarized as part of the hazards assessment. Example analysis procedures are provided for each of the hazard types identified. These deterministic analyses can be used to assess adherence to licensing criteria. They can also be used to meet other safety goals like protection of the public, workers, or industrial facility equipment. The probabilistic analysis consisted of three sizes of HESs modeled in a PRA to assess the impact on the initiating events (IE) and results of the PRA. The PRA results conclude that the resulting increases in IE frequencies are below the limits required for small changes to existing NPPs under 10 CFR 50.59.

08 HYDROGEN↗

DOE OSTI2025

Flexible transparent conducting electrodes unexpectedly influence MAPbI 3 film morphology and perovskite solar cell performance

Fabricating perovskite solar cells (PSCs) on plastic substrates will enable cost-effective manufacturing of lightweight and portable energy systems. Here, we study the influence of flexible transparent conductive electrodes (TCEs) on the methylammonium lead iodide (MAPbI3) film morphology and PSC performance. Three types of TCEs on polyethylene terephthalate (PET) are compared: a custom-made AgNWs/indium zinc oxide hybrid TCE and two commercial substrates with indium tin oxide (ITO) or metal/insulator/metal (MIM) as the TCE. Using the same p-i-n architecture and hole transport layer (HTL), we find that PSCs fabricated on the hybrid TCE show better performance and stability compared to those made on commercial TCEs. The PSC performance enhancement is attributed to the superior structural and optical properties of MAPbI3 film deposited on the hybrid TCE, which is explained by the surface energy difference of the HTL. While it is anticipated that solar cell performance can be affected by TCEs’ transmittance and sheet resistance as they determine light absorption and carrier transport, respectively, our finding of TCE influencing the morphology and crystallinity of MAPbI3 film, and hence PSC performance, is unexpected.

14 SOLAR ENERGY↗

DOE OSTI2021

Tamper-Indicating Enclosures with Visually Obvious Tamper Response (Final Project Report)

Sandia National Laboratories is developing a new method for detecting penetration of tamper - indicating enclosures (TIEs). This method incorporates the use of "bleeding" materials (analogous to visually obvious, colorful bruised skin that doesn't heal) into the design of TIEs. As designed, it will allow inspectors to use simple visual observation to detect attempts to penetrate the external surfaces of a TIE, without providing adversaries the ability to repair damage. A material of this type can enhance tamper indication of current TIEs used to support treaty verification regimes. Current TIE inspections are time - consuming and rely on subjective visual assessment by an inspector, equipment such as eddy current or camera devices, or involve approaches that may be limited due to application environment. The complexities and requirements that volumetric sealing methods (or TIEs) must address are: (1) enclosures that are non - standard in size/shape; (2) enclosures that may be inspectorate - or facility - owned; (3) finding tamper attempts that are difficult and time consuming for an inspector to locate; (4) enclosures that are reliable and durable enough to survive the conditions that exist in the operating environment (including facility handling); and (5) methods that prevent adversaries from repairing penetrations. Early project R&D [1] focused on encapsulated transition metals. Due to the challenges associated with the transition metal - based approach, a mitigation approach was investigated resulting in two separate research paths — one that involves fabricating custom TIE molds that meet the specific (size and shape) needs of safeguards equipment a nd one that can be deployed as a sprayed on or painted coating to an existing TIE or surface. The "custom mold" approach is based on creating thin layers of materials that , when penetrated, expose an inner material to O 2 which causes an irreversible color change. The "in-situ coating" approach is based on applying a sensor solution containing color changing microcapsules that bleed when the microcapsule is ruptured. The anticipated benefits of this work are passive, flexible, scalable, robust , cost-effective TIEs with visually obvious responses to tamper attempts. This provides more efficient and effective monitoring , as inspectors will require little or no additional equipment and will be able to detect tamper without extensive time - consuming visual examination. Applications include custom TIEs (cabinets , equipment enclosures or seal bodies ), or spray-coating/painting onto facility-owned items, walls or structures, or circuit boards. The paper describes research and testing completed to-date on the method and integration of select system components.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Distribution Operations: The Evolution of Distributed Energy Resources [Guest Editorial]

Utilities around the world are experiencing change with the increasing digitalization of their systems and those of their customers. Efforts to decarbonize the electric power system have led to growth in renewable energy resources, particularly distributed energy resources (DERs), such as generation, storage, and flexible load, both in front of and behind the meter. As this change occurs in any given utility service area, new tools, such as advanced distribution management systems (ADMSs), are needed to manage utility operations, planning, and business issues, some of which are discussed here.

distributed energy resources, DER, decarbonize, re↗

DOE OSTI2025

Learning-Based Quantum Compilation: Translating QASM to QIR with CodeBERT

We propose a learning-based approach to quantum compilation by translating OpenQASM to Quantum Intermediate Representation (QIR) using a fine-tuned CodeBERT model. Trained on 10,000 synthetic QASM-QIR pairs, the model captures code semantics while addressing QIR verbosity and the 512-token limit via a custom token compression scheme. Finetuning was performed on the Frontier supercomputer, with results showing syntactic correctness and stable validation loss reduction. Our method moves toward enabling flexible, language-modeldriven quantum software tools. It also introduces syntax error handling and the possibility of incorporating classical control constructs, addressing limitations in existing rule-based compilers like qBraid-QIR. While the current model has been validated on quantum-only circuits, we propose future evaluations on hybrid quantum-classical examples. This poster will provide architecture insights, compression examples, training loss plots, and QIR outputs. Our work highlights the potential for scalable, adaptable compilation in future quantum toolchains.

Afrose, Sharmin [ORNL]↗

DOE OSTI2022

Modeling Analog Tile-Based Accelerators Using SST

Analog computing has been widely proposed to improve the energy efficiency of multiple important workloads including neural network operations, and other linear algebra kernels. To properly evaluate analog computing and explore more complex workloads such as systems consisting of multiple analog data paths, system level simulations are required. Moreover, prior work on system architectures for analog computing often rely on custom simulators creating signficant additional design effort and complicating comparisons between different systems. To remedy these issues, this report describes the design and implementation of a flexible tile-based analog accelerator element for the Structural Simulation Toolkit (SST). The element focuses on heavily on the tile controller—an often neglected aspect of prior work—that is sufficiently versatile to simulate a wide range of different tile operations including neural network layers, signal processing kernels, and generic linear algebra operations without major constraints. The tile model also interoperates with existing SST memory and network models to reduce the overall development load and enable future simulation of heterogeneous systems with both conventional digital logic and analog compute tiles. Finally, both the tile and array models are designed to easily support future extensions as new analog operations and applications that can benefit from analog computing are developed.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Considerations for Distributed Edge Data Centers and Use of Building Loads to Support Large Interconnections

The rapid expansion of artificial intelligence (AI) and machine learning is driving unprecedented electricity demand from data centers. It is predicted that by 2030, 90% of AI workloads will be inference-based, requiring interconnection of multiple low-latency edge data centers (<20 MW) sited closer to end users - often on already constrained distribution feeders. Although individually small, these loads can aggregate to large loads per feeder, straining infrastructure, creating multi-year interconnection delays, and driving up customer costs. This paper proposes a data center-focused grid-integration framework that combines feeder hosting capacity analysis with building energy efficiency, building load flexibility, and waste heat reuse to expand effective feeder and substation headroom. Such approaches can reduce interconnection delays, lower costs for ratepayers, and accelerate AI-ready infrastructure deployment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

A Simulation Resource Team for Innovative Fusion Concepts

This project created a shared simulation resource for innovative fusion concepts at the University of Rochester, built around the FLASH, TriForce, OSIRIS, and OSHUN codes. Many promising fusion approaches are too complex to evaluate by experiment alone yet building a custom simulation capability from scratch for each new concept is expensive and slow. The BETHE Simulation Resource Team addressed this problem by developing and validating a flexible set of numerical tools, which were then applied across three major concept areas: plasma-jet-driven magneto-inertial fusion, staged Z pinches, and field-reversed configurations. The team assisted three concept teams and carried out independent analyses of all three concepts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1999

COSS Lesson Creation Process

COSS (Crew On-Orbit System Support) is changing. Designed as computer based in-flight refresher training, it is getting good reviews and the demands on the product can be expected to increase. Last year, the lessons were written using Authorware, which had a number of limitations. The most important one was that the navigation and the layout functions were both in one package that was not easy to learn. The lesson creator had to be good at both programming and design. There were also a number of other problems, as detailed in my report last year. This year the COSS unit made the switch to embrace modularity. The navigation function is handled by a player that was custom-written using Delphi. The layout pages are now standard HTML files that can be created using any number of products. This new system gives new flexibility and unties the process from one product (and one company). The player can be re-written by a programmer without affecting the lesson pages. It is also now possible for anybody with a word-processor to make part of the HTML lesson pages and to use many of the new commercially available tools that are being designed for web pages. This summer I created a computer-based training (CBT) lesson on the IBM ThinkPad 760 ED and 760XD laptop computers that should fly on the International Space Station. I also examined the COSS system, the new player and the other new software products.

Harper, R. Stephen↗

NASA NTRS2016

NASA Earth Observing System Data and Information System (EOSDIS): A U.S. Network of Data Centers Serving Earth Science Data: A Network Member of ICSU WDS

NASA's Earth Observing System Data and Information System (EOSDIS) has been in operation since August 1994, and serving a diverse user community around the world with Earth science data from satellites, aircraft, field campaigns and research investigations. The ESDIS Project, responsible for EOSDIS is a Network Member of the International Council for Sciences (ICSU) World Data System (WDS). Nine of the 12 Distributed Active Archive Centers (DAACs), which are part of EOSDIS, are Regular Members of the ICSUWDS. This poster presents the EOSDIS mission objectives, key characteristics of the DAACs that make them world class Earth science data centers, successes, challenges and best practices of EOSDIS focusing on the years 2014-2016, and illustrates some highlights of accomplishments of EOSDIS. The highlights include: high customer satisfaction, growing archive and distribution volumes, exponential growth in number of products distributed to users around the world, unified metadata model and common metadata repository, flexibility provided to uses by supporting data transformations to suit their applications, near-real-time capabilities to support various operational and research applications, and full resolution image browse capabilities to help users select data of interest. The poster also illustrates how the ESDIS Project is actively involved in several US and international data system organizations.

Earth Science↗

DOE OSTI2021

Capacitively Coupled LAPPDs with 2D Pixelated Readout Planes for Time of Flight and Ring Imaging Cherenkov Applications

Large Area Picosecond Photon Detectors (LAPPDs) are micro-channel plate based photosensors featuring hundreds of square centimeters of sensitive area in a single package and capable of providing timing resolution on the order of 50 ps for single photon detection. However, LAPPDs currently do not exist in finely pixelated 2D readout configurations which, in addition to ighresolution timing, would also provide high spatial resolution required for Ring Imaging CHerenkov (RICH) detectors. One of the recent LAPPD models (Gen II) provides the opportunity to overcome the lack of pixellation by coupling an external readout to the sealed detector itself. The readout plane in this case is a simple printed circuit board (PCB) that can be laid out in a custom application-specific way for 1D or 2D sensitive area pixellation. This allows for a much shorter readout-plane prototyping cycle and provides unprecedented flexibility in choosing an appropriate segmentation that can be optimized for any particular detector need in terms of pad size, orientation, and shape.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Community-scale interaction of energy efficiency and demand flexibility in residential buildings

Demand-side management (DSM) strategies, including energy efficiency (EE) and demand flexibility (DF), contribute to cost-effective operation of the electricity grid. From a system-level perspective, such programs reduce costs, enhance reliability, and reduce network issues. Similarly, DSM programs help participating customers reduce utility bills while maintaining occupant comfort. Understanding the relationship between EE and DF is key to realizing the full potential of DSM programs. In this study, we modeled an all-electric residential community based on a 498-home community that is planned for construction in Fort Collins, Colorado in the United States. We used this community model to study the relationship between different EE measures, including building envelope upgrades and smart appliances, and DF enabled by a home energy management system (HEMS) responding to a time-varying tariff. Various EE levels in the homes – code-minimum, zero energy ready, and even higher levels of envelope efficiency – were simulated. DF is enabled by the HEMS, which coordinates behind-the-meter resources, including flexible building loads, PV, and home battery systems, to minimize utility bills while maintaining occupant comfort. When comparing to the code-minimum homes, EE upgrades alone reduce HVAC energy use during peak hours by up to 50% and the HVAC utility bill by up to $312/year. With the addition of HEMS, the average daily peak demand can be reduced by up to 0.58 MW or 1.2 kW/home in the higher envelope efficiency homes. The combination of EE upgrades, HEMS, and home battery systems is expected to save homeowners up to $590/year while increasing community load flexibility. However, HEMS and home battery systems are less effective in increasing the DF in the more efficient homes due to the lower load.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Resilient buildings for fire-adapted landscapes: EE and flexible loads integrated with solar and storage microgrids

Energy efficiency (EE) and flexible loads can be part of a resilient buildings packagewhen they are combined with solar and storage in a clean energy microgrid to reduce the carbonfootprint of buildings and enable resilience to extreme events. Recent large wildfires and an emerging understanding of the fire-adapted landscapes in the American West underscore the urgency of work towards scaling and commercializing these systems. For example, a recent power shutoff in Northern California (October 9-12, 2019) resulted in 738k customers disconnected at the peak of the outage and is emblematic of challenges to come. Our paper reports on insights from a clean energy microgrid deployment pilot that integrates a 50 kWAC PV array, a 109 kW / 174 kWh battery system, switchgear to safely isolate from the regional power system, and communicating controllers for HVAC and refrigeration. The project will be commissioned in May 2020 and is sited at a critical infrastructure site in rural Northern California – in this case a gasoline station with convenience store. Our experience and results shed light on capabilities of integrated microgrids to provide value to customers during blue sky conditions and resilience during black sky days with high fire risk, and what opportunities and barriers exist for scaling these integrated microgrid systems in the near term. We use a simulation model to estimate how EE and flexibility can extend the run time of solar and storage, improving the reliability of power at critical sites.

Alstone, Peter↗

DOE OSTI2025

Python Library for Monte Carlo Simulations with Ab Initio and Machine-Learned Interatomic Potentials

There is a growing need in the simulation community for software that provides a transparent, reproducible, usable, and extensible (TRUE) Monte Carlo (MC) simulation framework employing energies from ab initio methods and machine-learning interatomic potentials (MLIPs). We introduce a Python library (ASE-MC) that adds Monte Carlo functionality to the Atomic Simulation Environment (ASE) package. Now, we can combine the powerful tools used to build systems and perform ab initio and MLIP in ASE with MC simulation algorithms to sample the configurational space with a concise Python script. After presenting the design philosophy, we demonstrate the flexibility of our approach using selected examples. These example simulations include liquid water described with a message-passing MLIP in the canonical and isothermal–isobaric ensembles, sampling the characteristic dihedral angle of biphenyl and comparing an MLIP to first-principles calculations, and a grand canonical Monte Carlo simulation of ammonia adsorption on Pt(111). These examples showcase the main features of the software, which include flexibility in the choice of ab initio or MLIP engine, ab initio or MLIP grand canonical MC with cavity bias insertions and deletions, the ability to add custom MC moves to the move set, and how users can condense complex MC workflows into a single Python script. Finally, this library serves as a framework for reproducible Monte Carlo simulations, facilitating easy reproduction of the work and application to new systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

The LCLStream Ecosystem for Multi-Institutional Dataset Exploration

We describe a new end-to-end experimental data streaming framework designed from the ground up to support new types of applications – AI training, extremely high-rate X-ray time-of-flight analysis, crystal structure determination with distributed processing, and custom data science applications and visualizers yet to be created. Throughout, we use design choices merging cloud microservices with traditional HPC batch execution models for security and flexibility. This project makes a unique contribution to the DOE Integrated Research Infrastructure (IRI) landscape. By creating a flexible, API-driven data request service, we address a significant need for high-speed data streaming sources for the X-ray science data analysis community. With the combination of data request API, mutual authentication web security framework, job queue system, high-rate data buffer, and complementary nature to facility infrastructure, the LCLStreamer framework has prototyped and implemented several new paradigms critical for future generation experiments.

Rogers, David [ORNL] (ORCID:0000000251871768)↗

NASA NTRS2008

The Planning and Implementation of Test Facility Improvements

As engineering programs develop, and product testing begins, ideas for process improvement soon become obvious. Engineers envision new holding and handling fixtures. Additional custom-made support equipment may be needed. Perhaps modifications to the building or modifications to facility hardware are the order of the day. This is where a flexible creative test organization is needed. We need not be content with the status quo. All of these desired test innovations can make the difficult easy and improve the work flow. At times, implementing these new ideas demands more time or specialized expertise than test team members have. Through the coordinated use of labor resources, the needed improvements can still be made and in a timely fashion that supports program schedules. This presentation provides practical advice and a method whereby test personnel can creatively develop facility improvements and manage them from start to finish. You can control just how much time you invest and what part of your concepts you will personally design. By wisely defining the requirements and presenting them to the appropriate help sources (vendors, contractors, coworkers, and support departments), you can get the help you need to bring the improvements you have conceived, into fruition. Aspects of this presentation include defining requirements for test facility improvements, choosing labor resources, writing a statement of work, determining cost and benefits, securing department approval, coordinating procurement, managing the project, and training the end users. The process of successfully implementing test facility improvements is thoroughly explained. It has been tried, proven and improved over nearly 25 years of use. Whether considering a $50 improvement or a $50 million dollar improvement, this discussion will provide helpful pointers. Examples of improvements made through this process and their illustration will be included.

Oberlander, Larry↗

NASA NTRSDate not supplied

Status of Mars Retropropulsion Testing in the Langley Unitary Plan Wind Tunnel

Future Mars human landings will be enabled by a powered descent phase starting at supersonic conditions, something which has never been done before on a Mars mission. Significant aerosciences challenges exist due to jet interactions between the retrorocket engine plumes, freestream flow, and vehicle that will affect the aerodynamic behavior during powered descent. Historically, wind tunnel tests have been used to study the interactions with inert gas exhaust simulants in place of rocket engines. On the computational side, flowfield simulations have been completed at full-scale conditions, but the available ground and flight data are not appropriate for calibrating computational uncertainties for aerodynamic interference on proposed Mars descent vehicles, due to insufficient data, dissimilar vehicle geometries, and disparate operating conditions. A wind tunnel test has been designed to begin addressing powered descent aerodynamics risks for large-scale human Mars entry concepts and to identify gaps in computational predictive capabilities. The test will be conducted in the NASA Langley Unitary Plan Wind Tunnel and is designed with improvements in model design and data products over past tests. The test campaign will be run using sub-scale model geometries derived from NASA powered descent reference vehicles: a blunt low lift-to-drag vehicle and a more slender geometry that generates higher unpowered lift. Both models have been fabricated and are ready for testing. The blunt model is equipped with the flexibility to examine the effects of nozzle pointing direction, number, location, size, and area ratio. The main measurements are heatshield aerodynamic interference forces and moments with a custom flow-through balance, discrete and distributed heatshield pressure, and high-speed flowfield visualization. This paper covers the test objectives, facility, models and instrumentation, and planned test matrix.

Mars↗

NASA NTRSDate not supplied

Status of Mars Retropropulsion Testing in the Langley Unitary Plan Wind Tunnel

Supersonic Retropropulsion↗