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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

AlGaN High Electron Mobility Transistor for High-Temperature Logic

Here we report on AlGaN high electron mobility transistor (HEMT)-based logic development, using combined enhancement- and depletion-mode transistors to fabricate inverters with operation from room temperature up to 500°C. Our development approach included: (a) characterizing temperature-dependent carrier transport for different AlGaN HEMT heterostructures, (b) developing a suitable gate metal scheme for use in high temperatures, and (c) over-temperature testing of discrete devices and inverters. Hall mobility data (from 30°C to 500°C) revealed the reference GaN-channel HEMT experienced a 6.9x reduction in mobility, whereas the AlGaN channel HEMTs experienced about a 3.1x reduction. Furthermore, a greater aluminum contrast between the barrier and channel enabled higher carrier densities in the two-dimensional electron gas for all temperatures. The combination of reduced variation in mobility with temperature and high sheet carrier concentration showed that an Al-rich AlGaN-channel HEMT with a high barrier-to-channel aluminum contrast is the best option for an extreme temperature HEMT design. Three gate metal stacks were selected for low resistivity, high melting point, low thermal expansion coefficient, and high expected barrier height. The impact of thermal cycling was examined through electrical characterization of samples measured before and after rapid thermal anneal. The 200-nm tungsten gate metallization was the top performer with minimal reduction in drain current, a slightly positive threshold voltage shift, and about an order of magnitude advantage over the other gates in on-to-off current ratio. After incorporating the tungsten gate metal stack in device fabrication, characterization of transistors and inverters from room temperature up to 500°C was performed. The enhancement-mode (e-mode) devices’ resistance started increasing at about 200°C, resulting in drain current degradation. This phenomenon was not observed in depletion-mode (d-mode) devices but highlights a challenge for inverters in an e-mode driver and d-mode load configuration.

42 ENGINEERING↗
DOE OSTI2023

Investigation of oxygen ion mobility through Zr x Ta 2 O 2x+5 (ZTOx) and Hf 6 Ta 2 O 17 (HTO) at elevated temperatures

Thermal Protection Systems (TPS) allow for technology to withstand high heat, which is especially critical for aerospace applications. As technology advances, better TPS are required to keep up with more extreme operating temperatures. Ultra-High Temperature Ceramics (UHTCs) are of interest because of their high melting points above 3000°C, but they suffer from oxidation when exposed to the atmosphere. A standard remedy to prevent oxidation is the use an oxide coating to shield from oxygen in the atmosphere while still allowing high operating temperatures and thermal cycling. However, standard oxide coatings such as yttria stabilized zirconia (YSZ) have limited operating temperatures before they allow oxygen to diffuse into the substrate material. A recently proposed alternative material has the formula A 6 B 2 O 17 (A: Zr or Hf) (B: Ta or Nb). In this study, determination of the oxygen protection ability of Hf 6 Ta 2 O 17 (HTO), Zr 6 Ta 2 O 17 (ZTO6), and various Zr x Ta 2 O 2x+5 (ZTOx) was determined using Electrochemical Impedance Spectroscopy (EIS). Optimal synthesis and sintering conditions were determined for ZTO6 and several of its ZTO variations. Activation energy for oxygen mobility was also determined. The importance of ball milling was found to be crucial to achieve high sintering density with these ceramics. The sintering study revealed that the ideal temperature of the ZTO variations increased with increased Zr/Ta ratio in the formulation. It was determined that both HTO and the ZTO variations conduct oxygen ions less than current ceramic coatings such as YSZ, with HTO conducting the least, with results confirming the validity of both HTO and ZTO materials as candidates for TPS coatings based on their low oxygen ion conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2021

AGGREGATE: dAta-driven modelinG preservinG contRollable dEr for outaGe mAnagemenT and rEsiliency (Final Report)

The AGGREGATE project team successfully developed and validated various modules for outage management. Brief summaries of each module are provided to showcase their strength for outage management and restoration for a distribution system with a high penetration of connected distribution energy resources (DERs). In recent years, inverter-based DERs have been widely deployed in distribution system. A most of behind-the-meter (BTM) solar power generation is not visible to the utility. The data-driven DER and load estimation modules are using machine learning (ML) and artificial intelligence (AI) to manage this issue, which provides an opportunity for distribution system operators (DSOs) to operate systems and make decisions in real-time for a distribution system with a high penetration of DERs deployed. Also, the estimated DER and true load can be further leveraged in network aggregation and cold-load pick up estimation for reducing the computing complexity and providing for fast restoration. After load demand and DER power generations have been estimated, the information will support topology and state estimation (SE). The topology estimation module demonstrated the viability of mixed integer linear programming (MILP) formulation to estimate the most likely operational radial topology and outage sections using power flow measurements, historical/estimated load and DERs data and smart meter ping measurements. Formulation includes continuous (power flow, load and DERs data) and binary measurements (smart meter ping measurements) in a single formulation. Errors in continuous data and binary data are modeled as normal distribution and Bernoulli distribution, respectively. In the future distribution grid, the power injection from controllable DERs will be essential for efficient and resilient grid operation. However, determining the optimal DER injections and restoration actions is dependent on knowledge of the system states. State estimation (SE), already the cornerstone of transmission energy management systems, will become commonplace in distribution management systems as more measurements become available from deployment of automated metering infrastructure (AMI). Observability analysis is the first step in SE, as it determines the sufficiency of the available measurements for accurately estimating the current system states. A new type of pseudo-measurement called a Correlational Measurement (CM) is introduced in this module, to enhance the observability of the system to enable more accurate SE. CMs encapsulate knowledge of correlation between demand patterns for similar classes of loads as well as injection patterns for same-technology renewable DERs. During grid contingency scenarios, DERs have been traditionally disconnected, without any fault ride-through capabilities. However, with new regulations and better technology, it is feasible for these resources to contribute to the grid’s restoration after an adverse event and hence enhance resilience. The controllability module proposes a two-step restoration scheme for the power system restoration process by leveraging additional degrees of freedom in power electronics interfaced DERs for mitigating voltage problems. In a resilience mode without the utility system, the distribution grid relies on DERs to serve critical load. In such a severe event with multiple faults on the distribution feeders, actuation of various protective devices (PDs) divides the distribution system into electrical islands. The undetected actuated PDs due to fault current contributions from DERs can delay the restoration process, thereby reducing the system resilience. The Advanced Outage Management (AOM) and the Advanced Feeder Restoration (AFR) modules developed in this project provide improved system resilience with multiple DERs. AOM identifies the faulted sections and actuated PDs in a distribution system with DERs by incorporating smart meter data. The most credible outage scenario including fault locations, PD actuations, and fault indicator (FI) failures is identified by a set of binary integer linear programming incorporating hypotheses. The AFR module serves to restore a distribution system with available energy resources taking into consideration the availability of utility sources and DERs. By partitioning the system into islands, critical load will be served with the available generation resources within islands based on the solution of a MILP. When the utility systems become available, the optimal path will be determined by a spanning tree search algorithm that reconnects these islands back to substations and restores the remaining load. The transmission and distribution (T&D) co-simulation module was used to validate the effect of a control action performed on the distribution side assets as it propagates to the transmission side. This ensures that the control action performed results in a feasible operating point on both the transmission and the distribution system. In addition to validation, the team used the T&D co-simulation module to demonstrate how distribution system assets can be used to mitigate issues on the transmission system. Specifically, the team demonstrated that appropriate switching operations on the distribution side can alleviate the line overload condition on the transmission side without causing new operational constraint violations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Modelling the limiter ramp-up of WEST for addressing the future challenges of ITER

This paper presents a joint experimental and numerical investigation into the physics of long limited plasma ramp-up in tokamaks with tungsten (W) first walls, a critical phase for ITER operation. The comparison between the average plasma quantities simulated using the SolEdge-HDG code and the measurements taken during three successive WEST discharges after boronisation shows how challenging it is to predict this phase. While simulations reproduce the general trends at the midplane, with reasonable match in density profiles, they consistently underestimate core temperatures possibly due to too large perpendicular heat conductivity. On the contrary, at the high field side (HFS) limiter, simulations overestimate the measured quantities, and highlights the limitation of using Bohm boundary conditions at grazing magnetic angles. Experimental measurements reveal that the boron layer is rapidly eroded, on a timescale comparable to a single ITER discharge. The subsequent transition from a boron-coated to a tungsten wall increases recycling and significantly degrades the core plasma, reducing the electron temperature by nearly half due to W contamination, despite wall parameters remaining stable. Furthermore, comparisons with Langmuir probes, bolometry, reflectometry, and spectroscopy indicate that the experimental far scrape-Off layer (SOL) is significantly wider than simulated. This wide SOL implies that boron erosion extends along the entire HFS limiter rather than being confined to the contact point. This work highlights some characteristics of the plasma during this phase of the discharge and emphasizes the current modelling issues that need to be resolved in order to obtain reliable predictions concerning the ITER ramp-up.

ITER↗
DOE OSTI2020

Improved CO 2 Capture Performance of Electrochemically Mediated Amine Regeneration Processes with Ionic Surfactant Additives

For the effective reduction of global CO 2 emissions, it is essential to develop and deploy efficient and cost-effective technologies for CO 2 capture, especially from large point sources. We recently developed an electrochemically mediated amine regeneration (EMAR) system to replace traditional thermal desorption for the capture of CO 2 from post-combustion flue gases. Despite EMAR effectiveness on a laboratory scale, concerns regarding the high gas-to-liquid ratio in the electrochemical cell and long-term instability of the electrodes need to be addressed before further scale-up of the process to a pilot plant and beyond can be entertained. Accordingly, we investigated the effect of using sodium dodecyl sulfate (SDS) as an anionic surfactant and dodecyltrimethylammonium bromide (DTAB) as a cationic surfactant on the process operation. It was found that it is advantageous to use an anionic surfactant for a system such as EMAR that contains hydrophilic electrodes and a positively charged electrochemically active species. The overall cell resistance was notably reduced when SDS anionic surfactant was used. The precipitation of copper particles observed in the anode outlet when no surfactant was used was effectively avoided when SDS was added to the electrolyte, resulting in electrode stability. In addition, smaller gas bubbles were produced in the presence of the SDS surfactant, which resulted in less blockage of the electrode by the gas with a resultant lower cell potential under constant current conditions, driving more efficient CO 2 desorption. This led to an ~25% reduction in the electrochemical energy requirement, the lowest ever achieved experimentally for the EMAR process. Altogether, the addition of a very low concentration of SDS resulted in the successful circumvention of the important problems faced by the EMAR system regarding further scale-up.

36 MATERIALS SCIENCE↗
DOE OSTI2023

HetArch: Heterogeneous Microarchitectures for Superconducting Quantum Systems

Noisy Intermediate-Scale Quantum Computing (NISQ) has dominated headlines in recent years, with the longer-term vision of Fault-Tolerant Quantum Computation (FTQC) offering significant potential but at currently intractable resource costs and quantum error correction (QEC) overheads. For problems of interest, FTQC will require millions of physical qubits with long coherence times, high-fidelity gates, and compact sizes to surpass classical systems. Just as heterogeneous specialization has offered scaling benefits in classical computing, it is likewise gaining interest in FTQC. However, systematic use of heterogeneity in either hardware or software elements of FTQC systems remains a serious challenge due to the vast design space and the variable physical constraints. This paper meets the challenge of making heterogeneous FTQC design practical by introducing HetArch, a toolbox for designing heterogeneous quantum systems, and using it to explore heterogeneous design scenarios. Using a hierarchical approach, we successively break quantum algorithms into smaller operations (akin to classical application kernels), thus greatly simplifying the design space and resulting tradeoffs. Specializing to superconducting systems, we then design optimized heterogeneous hardware composed of varied superconducting devices, abstracting physical constraints into design rules that enable devices to be assembled into standard cells optimized for specific operations, which, in turn, form heterogeneous modules optimized for quantum subroutines. Finally, we provide a heterogeneous design space exploration framework which reduces the simulation burden by a factor of 10^4 or more and allows us to characterize optimal design points. We use these techniques to design superconducting quantum modules for entanglement distillation, error correction, and code teleportation, reducing error rates by 2.6×, 10.7×, and 3.4× compared to homogeneous systems.

Quantum Computing, Quantum Physics, Computer Archi↗
DOE OSTI2022

A multi-scale time-series dataset with benchmark for machine learning in decarbonized energy grids

The electric grid is a key enabling infrastructure for the ambitious transition towards carbon neutrality as we grapple with climate change. With deepening penetration of renewable resources, the reliable operation of the electric grid becomes increasingly challenging. In this paper, we present PSML, a first-of-its-kind open-access multi-scale time-series dataset, to aid in the development of data-driven machine learning (ML)-based approaches towards reliable operation of future electric grids. The dataset is synthesized from a joint transmission and distribution electric grid to capture the increasingly important interactions and uncertainties of the grid dynamics, containing power, voltage and current measurements over multiple spatio-temporal scales. Using PSML, we provide state-of-the-art ML benchmarks on three challenging use cases of critical importance to achieve: (i) early detection, accurate classification and localization of dynamic disturbances; (ii) robust hierarchical forecasting of load and renewable energy; and (iii) realistic synthetic generation of physical-law-constrained measurements. We envision that this dataset will provide use-inspired ML research in safety-critical systems, while simultaneously enabling ML researchers to contribute towards decarbonization of energy sectors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Converter-Interfaced CHP Plant for Improved Grid-Integration, Flexibility and Resiliency

GE Research and its partner GE Renewables have proposed the use of an interface converter solution to increase the penetration of small to medium-sized CHP (1MWe to 20MWe) into distribution grids and improve their flexibility and grid support capability. Indeed, the proposed interface converter solution thanks to presence of the grid-ready inverter, allows to streamline the compliance to grid codes requirements, reduce the interconnection delays and costs and ultimately one of the main barriers for CHP adoption by commercial and industrial facilities. An additional benefit provided by the interface converter is the use of the grid-ready inverter for reactive power which eliminates the need of sizing the generator for that capability. These two benefits highly favor the economic feasibility of converter-interfaced CHP. Five user cases, each in one of the leading U.S states for CHP potential reported by the DOE in its estimation of the U.S Technical Potential of CHP, were selected to compare the economic performances of converter-interfaced CHP as compared with directly-coupled. They include a college campus in California, a hospital in New York, a water reclamation plant in Texas, a hotel in Minnesota, and a large office building in Pennsylvania. Results showed that, the presence of the interface converter allows to increase the return on investment (ROI) by 0.5 to 2 percentage points in most of the cases (4 of 5). Indeed, the interface converter by shortening the interconnection process allows to accelerate revenues while reducing interconnection costs. Added to the reduced cost of the required generator these savings trade favorably the capital cost of the converter. The analysis also showed that the profitability of the converter-interfaced CHP is highly sensitive to the energy price, interconnection delay, and converter cost. However, it appears that if the interface converter can shorten the interconnection process by at least 6 months, adopting this solution will be more economically viable than directly-coupled configuration in almost all the +23,000 sites of the U.S Technical Potential CHP. The evaluation of the benefits of a converter-interfaced CHP also showed that it enables higher ROI when coupled with other distributed energy resources (DER) such as battery energy systems (BESS) or solar photovoltaic (PV). Indeed, in those scenario, the grid-ready inverter included in the interface converter eliminates the need of separate inverters if DC-coupling is used. On the technical performance, it has been verified that the presence of the interface converter allows to reduce by 70% to 80% the CHP short-circuit contribution to grid faults. This not only reduces the mechanical and thermal stresses exposed to the CHP electrical components but also increases the grid hosting capacity which ultimately enables higher penetrations CHP. Another key benefit of the interface converter validated with hardware-in-the-loop simulations and testing is its superior capability for reactive power support. Indeed, using a power hardware testbed with two +700kW inverters configured in back-to-back, a microgrid controller and actual facilities loads it was demonstrated that the presence of the interface converter can help maintain a power factor near ~1 or regulate the voltage to ~1.0pu at the point of common coupling. This benefit can be highly valuable if in the future, due to higher penetration of renewable distributed energy resources (DER), utilities start billing demand charge based on kVA instead of kW as currently. It was also validated that converter-interfaced CHP can dispatch heat and power commands and seamlessly switch between the two modes while consistently controlling the power factor or voltage at PCC. Indeed, the power hardware testing showed that grid-connected converter-interfaced CHP can follow either the power or heat demand while maintaining a unity power factor at converter output. This research proved that the adoption of an interface converter as the solution for interconnection of CHP system into the distribution grid can greatly improve the economic feasibility of small to medium-sized CHP as well as the plant power quality, flexibility and resiliency. Additionally, it allows increased penetrations of CHP into the distribution grid, extends their grid support capability, and facilitates the integration of BESS and PV DER by streamlining their collocation within the same facilities. This ultimately provides an opportunity for commercial and small industrial facilities in the U.S to accelerate their energy transition thanks to the high energy efficiency of CHP systems and its reliable, flexible, and resilient microgrid operation when interconnected with an interface converter.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Data Driven Commercial Building Energy Code Compliance and Technology Inventory for New York City

Building Performance Standards (BPS) are gaining national traction. A BPS will require new processes in the design, construction, and operation of buildings that take the occupants into account and enable predictive analysis to ensure compliance with current and future GHG emissions caps. In New York City, most buildings over 25,000 square feet will be regulated by a BPS starting in 2024, regardless of whether it is new construction permitted under current energy codes or an existing building. This research is one of the first to begin the evaluation of a long-term series of building policies in the context of an open data ecosystem, in cooperation with city agencies. Existing building policies enacted in NYC have ranged from building energy benchmarking and labeling to energy audits to the regulation of GHG emission in buildings. Through the development of a dataset related to building technologies and energy consumption, this project can help to evaluate if meaningful conclusions can be drawn for the data that has been largely self-reported in compliance with city regulations. This project will also provide lessons learned from a deep dive into these types of datasets to provide best practices for municipalities or states seeking to embark on policies like those enacted in NYC. In addition, a Building Automation System (BAS) Stretch Standard of Care (SSOC) for owners, designers, and building operators will enable the measurement and predictive analysis of energy consumption and GHG emissions at the plant, system, or component level, in anticipation of regulated GHG limits on buildings based on energy use. The SSOC is expected to be suitable for use on a national level. The primary feature of an SSOC is a standardized format for a set of BAS points that can be used to control and to gather data from individual plants, systems, or components that are related to building energy consumption. This project examined how measurements compare to prescriptive or simulation-based energy code targets, finding little correlation between predictive 8760-hour energy modeling and actual energy consumption for a small sample (n=27) of buildings constructed after 2015. Other analysis found that, while large multifamily housing (MFH) buildings showed a general trend similar to predicted reductions in energy use from the implementation of model commercial energy codes, this trend was not evident in the office, K-12 school, and hotel use groups in NYC. No upward or downward trends in energy consumption were found when buildings were grouped by size. Energy audit data were analyzed and it appears that there is bias by audit company on measures recommended to clients. Further research should be performed to cross-analyze this with other attributes, such as building size, vintage, and number of stories. Analysis found that for 281 buildings that were permitted and completed after 2015 and had submitted benchmarking data in 2022, between 81% and 96% (by use group) were found to be in compliance with the 2024 to 2029 NYC BPS emission caps, and between 55% and 89% were in compliance with the 2030-2034 caps. This work is beneficial to the public in helping policymakers and building stakeholders better understand the wide-ranging implications of a BPS.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Using Robotic Manipulators for Radioactive Waste Inspection - 20090

The global nuclear industry has a growing volume of nuclear waste which needs to be scanned, sorted according to its activity and material type, then processed into the correct waste packages for long term storage and disposal. It is vital that there is a detailed understanding of the waste inventory stored in long term waste containers, as knowledge of their contents could predict or prevent any adverse effects in storage. The numerous 'scan and sort' tables which are currently used at many different facilities around the world to sort waste into their correct containers are human operated and require very slow gamma scanning procedures combined with educated guesswork to manually sort the waste. This often leads to excessive conservatisms, with placement of lower activity wastes in higher activity containers, which in turn costs significantly more to store. In the United Kingdom it costs UK Pounds 46 k per cubic meter to store intermediate level waste compared to just UK Pound 2.9 k per cubic meter to store low level waste according to a 2008 Department of Energy and Climate Change report in the UK. A proposed solution to this problem, is the use of a robotic manipulator to automatically inspect the 'scan and sort table' in order to produce an accurate 3D model of the table's waste contents and attach an overlaid radiation map. The radiation map contains spectrometry data and can in consequence be used to distinguish and locate specific radioisotopes. The 3D model should be as accurate as possible in order to allow for a second robot arm with an attached gripper to grasp the objects and place them into their designated long-term storage container. Various scanning procedures are explored in this study including basic raster scanning, adaptive raster scanning and point sampling. The optimal solution will in practice be defined by the required application and activity level of the wastes being inspected. The results presented in this study indicate that it is possible to produce a centimeter accurate 3D model of a mixed assortment of components on a nuclear waste 'scan and sort' table. In addition, it was shown that the waste objects emitting radiation could be accurately identified and located, with an overlaid radiation map. This study is applicable across the nuclear waste management sector. Many of the ideas and concepts developed in this study are applicable in other decommissioning settings for example, dismantling of legacy gloveboxes or routine inspection of nuclear waste packages in storage. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Ion Exchange Processing of AN-107 Hanford Tank Waste through Crystalline Silicotitanate in a Staged 2- then 3-Column System

The Hanford Site stores an estimated 56 million gallons of mixed radioactive and chemically hazardous waste in large underground tanks. In support of the Direct Feed Low-Activity Waste (DFLAW) Program for expediting Hanford tank waste supernate treatment, laboratory-scale ion exchange processing using prototypic unit operations was conducted on AN-107 tank waste at the Pacific Northwest National Laboratory Radiochemical Processing Laboratory. This report describes the small-scale ion exchange testing with 13.7 L of diluted and filtered supernate from Tank 241-AN-107 (hereafter referred to as AN-107) at 16 °C (62 °F). One of the waste acceptance criteria (WAC) for the Waste Treatment Plant (WTP) Low-Activity Waste Facility is that the waste must contain less than 3.18×10 -5 Ci 137 Cs per mole of Na. For the AN-107 tank waste to meet this criterion, only 0.147% of the influent 137 Cs concentration may be delivered to the WTP; this requires a Cs decontamination factor of 678. Testing with AN-107 matched current Tank Side Cesium Removal (TSCR) facility prototypic operations where a lead-lag configuration was used until the lag column reached the WAC limit, then a polish column was brought online for continued processing in a lead-lag-polish column configuration. Feed was processed at 1.9 bed volumes (BVs) per hour; the flowrate, in terms of contact time with the crystalline silicotitanate (CST) bed, matched the expected flowrate at TSCR. The Cs-decontaminated product was retained for vitrification testing (to be reported separately). The lead column reached 40% Cs breakthrough after processing ~1700 BVs of feed; the 50% Cs breakthrough was extrapolated from the breakthrough data to occur at 1873 BVs. Testing compared to previous AP-101 and AP-107 testing at 16 °C showed ~300 BV increases in volume processed to reach the WAC limit for both lead and lag columns. The increase in capacity was determined to be due to the significantly lower K concentration in the AN-107 compared to the other tank waste matrices. A comparison in breakthrough curves for the three tests indicated slightly slower kinetic behavior in the AN-107, with variations in feed matrices (high organic complexants) likely responsible for the deviation. The Cs effluent from the lag column reached the WAC limit after processing 1097 BVs. Anticipating this breakthrough point, the polish column was preemptively installed around 900 BVs. Cs breakthrough from the lag column began at 500 BVs, reaching 3.06×10 0 µCi/mL, or 2.6 % Cs breakthrough, after processing all 1700 BVs of feed. Table S.1 and Figure S.1 summarize the observed column performance and relevant Cs loading characteristics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Resiliency in numerical algorithm design for extreme scale simulations

Here this work is based on the seminar titled ‘Resiliency in Numerical Algorithm Design for Extreme Scale Simulations’ held March 1–6, 2020, at Schloss Dagstuhl, that was attended by all the authors. Advanced supercomputing is characterized by very high computation speeds at the cost of involving an enormous amount of resources and costs. A typical large-scale computation running for 48 h on a system consuming 20 MW, as predicted for exascale systems, would consume a million kWh, corresponding to about 100k Euro in energy cost for executing 10 23 floating-point operations. It is clearly unacceptable to lose the whole computation if any of the several million parallel processes fails during the execution. Moreover, if a single operation suffers from a bit-flip error, should the whole computation be declared invalid? What about the notion of reproducibility itself: should this core paradigm of science be revised and refined for results that are obtained by large-scale simulation? Naive versions of conventional resilience techniques will not scale to the exascale regime: with a main memory footprint of tens of Petabytes, synchronously writing checkpoint data all the way to background storage at frequent intervals will create intolerable overheads in runtime and energy consumption. Forecasts show that the mean time between failures could be lower than the time to recover from such a checkpoint, so that large calculations at scale might not make any progress if robust alternatives are not investigated. More advanced resilience techniques must be devised. The key may lie in exploiting both advanced system features as well as specific application knowledge. Research will face two essential questions: (1) what are the reliability requirements for a particular computation and (2) how do we best design the algorithms and software to meet these requirements? While the analysis of use cases can help understand the particular reliability requirements, the construction of remedies is currently wide open. One avenue would be to refine and improve on system- or application-level checkpointing and rollback strategies in the case an error is detected. Developers might use fault notification interfaces and flexible runtime systems to respond to node failures in an application-dependent fashion. Novel numerical algorithms or more stochastic computational approaches may be required to meet accuracy requirements in the face of undetectable soft errors. These ideas constituted an essential topic of the seminar. The goal of this Dagstuhl Seminar was to bring together a diverse group of scientists with expertise in exascale computing to discuss novel ways to make applications resilient against detected and undetected faults. In particular, participants explored the role that algorithms and applications play in the holistic approach needed to tackle this challenge. This article gathers a broad range of perspectives on the role of algorithms, applications and systems in achieving resilience for extreme scale simulations. The ultimate goal is to spark novel ideas and encourage the development of concrete solutions for achieving such resilience holistically.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Virtual Tokamak for Test and Development of Plasma Control Applied to NSTX-U

Safe and efficient operation of tokamak experiments depends on shot preparation prior to the experiment to maximize performance and avoid issues that are predictable consequences of known physics. The General Atomics TokSys toolbox is used to test and develop the plasma control system (PCS) on numerous tokamaks around the world. Tokamaks that use a version of the DIII-D PCS can connect it to a TokSys simulation and control a virtual version of the tokamak with the real PCS. Recent upgrades to the simulation include more detailed profile and transport modeling to support design and implementation of optimized scenarios. The simulation combines a module called “Profiles” that simulates the 1D profiles of density, pressure, and current and a module called “GSevolve'' that evolves the 2D Grad-Shafranov equilibrium. The “Profiles'' module primarily uses simplified models for fueling, heating, and current. The TRANSP code provides precomputed diffusion coefficients and heating/current drive profiles from radio-frequency and neutral beam sources for the scenarios being simulated. The fidelity of a simulation can be enhanced by analyzing it with TRANSP and making corrections to the precomputed values and iterating until convergence. Simulations of the National Spherical Torus Upgrade (NSTX-U) are presented. It is shown that the simulation reproduces the experimental profile evolution. Here, the simulation has also been upgraded to reproduce the experimental outcome at points of bifurcation. This is demonstrated with a simulation of vertical displacement in NSTX-U.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Comparative study on the formation of Cr and Ti ohmic contacts to (001) β -Ga 2 O 3

Here, a comparative study of Cr/Au and Ti/Au ohmic contacts on (001) β-Ga 2 O 3 was conducted. The electrical behavior from current-voltage measurements and the interfacial composition and microstructure as determined from high-resolution transmission electron microscopy (TEM) with energy dispersive x-ray analysis were compared for the different contacts at selected points in an annealing series (300–700 °C, 1 min. anneals in N 2 ). Cr/Au contacts became ohmic at temperatures (300–350 °C) approximately 50–100 °C lower than Ti/Au contacts (400–450 °C). Cr/Au and Ti/Au contacts demonstrated optimal ohmic behavior (lowest resistance) when annealed to 450–500 and 500–600 °C, respectively, with Ti/Au contacts yielding a lower total resistance than Cr/Au. Cross-sectional TEM images of Cr/Au contacts annealed at 450 °C revealed the presence of Au nanoclusters at the Ga 2 O 3 interface and CrO x layers at both the top of the contact and the Ga 2 O 3 interface. Whereas TiO x also formed at the top and bottom interfaces in 450 °C-annealed Ti/Au contacts, the TiO x surface layer appeared to be variable in thickness and/or discontinuous, unlike the CrO x surface layer. Au nanoclusters were not detected at the interface in the Ti/Au contacts. The interdiffusion and oxidation observed in both contact metallizations point to the need for diffusion barriers that may allow these contacts to be used in future Ga 2 O 3 -based devices that operate at elevated temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Protection and Restoration Solutions to Reliable and Resilient Integration of Grid-connected PV Installations and Distributed Energy Resources: Design, Testbed, Proof of Work and Impact Studies (Final Report)

To gain a better understanding of the complex transients in a utility grid with a large number of solar PV installations coupled by PWM inverters during the protection and restoration period of the power grid, in this project a kW-level experimental system with dominating inverter-based resources and a hardware-in-loop simulation system with transmission and distribution models, as well as several SEL protective relays have been built and used. The major research findings of the project are summarized below in two perspectives: Experimental research: A self-organized ultra-high frequency solitary waveform is discovered and demonstrated in the hardware experimental system. Despite the familiarities, such a solitary waveform is distinct from any harmonics, transient, or resonance waves in that, it is 1) non-dispersive over time and space, 2) not associated with any active source or the linear superposition of sources, 3) half-cycle asymmetric, 4) not responding to filters or change of system characteristic resonance frequency, 5) ubiquitous as it occurs simultaneously everywhere in the system from DC supply, power lines, and the utility grid, and 6) explosive through tripping the protection or damaging susceptible devices or circuits. Analytical study: The nature of such a new waveform and an analytical explanation of its formation are studied based on related physics and non-linear science principles, with the following highlights: 1) such a new waveform follows the solutions to the Non-linear Schrödinger equation, so the classic linear perturbation theory is unable to explain or predict such a unique waveform as confirmed with the research team of RTDS; 2) the critical condition of occurrence of such a waveform is derived, which indicates that the breakings of solitary wave is a system synchronous issue between the utility grid in the 60Hz phasor domain and duty-ratio modulation of DC sources in the inverter switching frequency domain; 3) such a waveform carries energy mass so it could be detrimental; 4) such a waveform is deceiving as it is not readily detectable in the energy propagation direction by the primary protection equipment, while it is detrimental in the perpendicular direction of energy propagation, i.e. voltage direction. Thus, it has more likely challenges to the second primary equipment and devices, particularly at the weakest link and point such as aging insulation and inappropriate setting of susceptible devices. Therefore, such a waveform can be easily ignored in the aftermath investigation. The intellectual merits: The experimental discovery reveals certain unfamiliar transient phenomena that could challenge the integration of large-scale grid-connected solar PV installation during the group ride-through period of solar PV installations, commissioning of large-solar farms, or dramatic change of solar radiation conditions. Particularly, the research findings suggest that the occurrence of the unfamiliar transient phenomena is uniquely associated with the inverter-based solar PV installation, which is less likely to happen for rotary energy systems. The physics and non-linear science-based research work laid down an analytical path to the challenging transient stability problems including those that have been observed currently and future calls. Both experimental and analytical research results explain the limitation of many current research effects including some DoE research undertakings as well as possible solutions. The broader impacts: The research outcome of the project advances the understanding of the possible transient problems for the integration of inverter-based solar PV installation. It also highlights the theoretical and technical barriers for applying the conventional theory and technology to design and implement countermeasures against their adverse impacts of the large-scale solar PV installation and operation on grid reliability and security. More broadly, the research outcomes have shed some light on the open, fundamental challenges in the integration of large-scale solar photovoltaic energy into current and next-generation power grids across the country, and worldwide. The advanced physics and non-linear science-based analysis open up a path to harmonization of the renewables for societal energy needs via building a resilient and sustainable electric power infrastructure.

14 SOLAR ENERGY↗
DOE OSTI2021

A Novel Approach for Bounding the Stress Experienced by the Core of Utility-Scale Printed Circuit Heat Exchangers Under Thermohydraulic Loads

Printed circuit heat exchangers (PCHEs) have rapidly gained popularity since being introduced nearly three decades ago, and they are currently widely deployed in the petrochemical and aviation industry. Their compactness, thermohydraulic efficiency, inherent suitability for high temperature/pressure fluids containment, and demonstrated durability are some of the reasons the nuclear industry is seeking to adopt this technology as well. However, the relatively strict nuclear-related regulatory design code, especially when classified as critical to the safety of the reactors, is posing challenges to adopting the technology. From stress analysis point of view, one undesirable feature of PCHEs is their geometrical complexity, which is implied by their multilength-scale features. As a result, a full-scale model of a utility-scale exchanger cannot simply be solved on a computer because meshing such components results in a vast number of degrees-of-freedom. Here, this work seeks to address the challenge of stress analyses to PCHEs by presenting a method to simplify the geometry of PCHE designs. The models proposed by this work can be practically analyzed on a standard computer and provide a path for implementing ASME design rules. The analyses presented herein are divided into five separate investigations. Each is carried out to incrementally simplify the analyzed model by addressing features such as the shapes of the flow passages, the complex distribution of stress in large components, the three-dimensionality of the stress and strain, the thermal stresses caused by thermohydraulic operation observed experimentally and more.

42 ENGINEERING↗
DOE OSTI2020

Growth and Properties of Vapor Diffused Nb3Sn Coating for Superconducting Radiofrequency Accelerator Cavity Applications

The desire to reduce construction and operating costs of future SRF accelerators motivates the search for higher-performing alternative materials. Nb3Sn (Tc ~ 18.3 K and Hsh ~ 425 mT) is the front runner. The tin vapor diffusion process is currently the technique of choice to produce promising Nb3Sn-coated cavities. Understanding Nb3Sn nucleation and growth in this process is essential to progress. Samples representing different stages of Nb3Sn formation have been produced and studied to elucidate the effects of nucleation, growth, process conditions, and impurities. Nb3Sn films with thickness from a few hundred nm up to ~15 µm were grown and characterized. The microscopic examination of samples suggests the mechanisms of thin film nucleation and growth. Broadly, nucleation deposits tin as a thin surface phase and, under some conditions, a few hundred nanometer sized particles as well. Conditions that impair nucleation promote the formation of defects, such as ?patches?, in subsequent coating growth. Analysis of coated samples is consistent with the model of Nb3Sn grown in which tin diffuses via grain boundaries to Nb3Sn-Nb interface, where the growth Nb3Sn into the niobium bulk takes place. Similar scaling laws are found for grain growth and layer thickness. Non-parabolic layer growth is consistent with significant grain growth, which reduces the number of Sn-transport channels. Examination of patchy region in Nb3Sn coating revealed it to be large single crystalline grains, pointing to impeded Nb3Sn layer growth due to low grain boundary density, resulting in a significantly thin coating in those areas. Examination of RF loss regions from a coated cavity, identified with a thermometry mapping system showed patchy regions and carbonus defects were associated with strong local field-dependent surface resistance. RF measurements of coated cavities were combined with material characterization of witness samples and coated-cavity cutouts to improve the coating process. Understanding obtained and applied to cavity coatings, resulted in single-cell Nb3Sn cavities with a quality factor of ~2 ×1010 up to 15 MV/m accelerating gradient at 4 K, without "Wuppertal" Q-slope. We have also produced Nb3Sn-coated CEBAF 5-cell cavities with accelerating gradients useful for accelerator cryomodules. This dissertation will discuss the genesis of the Nb3Sn coating in a typical tin vapor diffusion process, effects of different process parameters, and its consequences to the coating of single-cell and multi-cell SRF cavities.

Pudasaini, Uttar↗
DOE OSTI2022

Influence of Vane Trailing Edge Flow on the Formation of Cavity Cells and Rim Sealing

Abstract Hot gas ingestion into the turbine rim seal cavity is an important concern for engine designers. To prevent ingestion, rim seals use high-pressure purge flow; however, the penalty is that excessive use of the purge flow decreases engine thermal efficiency. In this paper, a one-stage turbine operating at engine-representative conditions was used to study the effect of steady and time-resolved under-platform cavity temperatures and pressures across a range of coolant flowrates in the presence of vane trailing edge (VTE) flow. This study correlates time-resolved pressure with time-resolved temperature to identify primary frequencies driving ingestion. At certain flowrates, the time-resolved pressures are out of phase with the temperatures, indicating ingestion. Measurements from high-frequency response pressure sensors in the rim seal and vane platform were also used to determine rotational speed and quantity of large-scale structures (cells). In a parallel effort, a computational model using Unsteady Reynolds-averaged Navier–Stokes (URANS) was applied to determine swirl ratio in the rim seal cavity and time-resolved rim sealing effectiveness. The experimental results confirm that at low purge flowrates, the VTE flow influences the unsteady flow field by decreasing pressure unsteadiness in the rim seal cavity. Results show an increase in purge flow increases the number of unsteady large-scale structures in the rim seal and decreases their rotational speed. However, VTE flow was shown to not significantly change the cell speed and count in the rim seal. Simulations point to the importance of the large-scale cell structures in influencing rim sealing unsteadiness, which is not captured in current rim sealing predictive models.

Engineering↗