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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NO x during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

42 ENGINEERING↗
NASA NTRS2020

Vibration-based health characterization of multiple IMUs in UAV applications

Inertial measurement units (IMUs) are vital in UAV navigation for vehicle attitude and position estimation, especially in the frequently-occurring case of temporary loss of GPS capabilities. Degradation in these units could yield inaccurate position estimates, resulting in incorrect input for vehicle control systems. A wide variety of these units exist to meet the needs of UAV operators, general aviation, and military vehicles. In recent decades, lightweight and inexpensive MEMS sensors have grown in popularity with respect to UAVs. Studies into the failure modes of MEMS devices suggest that vibration is one of the leading causes of MEMS degradation. MEMS sensors are generally encased in their own hermetic packaging, as their small size and sensitivity cause them to be particularly vulnerable to air damping and particulate contamination when exposed. Exposure to excessive vibration can cause cracking in this packaging as well as damage to connecting electronics, with recorded results that cause sensors to act outside of their specifications, potentially providing unreliable input to controllers. A prior study from the Politecnico di Torino looked into the degradation of MEMS IMUs, specifically the AXIS-AIS402, for aerospace and vibrating environments. In the study, the authors found that after exposing MEMS IMUs to simulated vibrations from working conditions of aerospace applications, the sensors showed increased noise and increased bias instability. At NASA Ames, several widely-used MEMS IMUs were selected for a new IMU degradation study, comparing accelerometer performance before and after exposure to similar levels of vibration simulating aerospace conditions. The IMUs were selected from the Pixhawk autopilot systems, hobby sUAS, or prior experimental studies at NASA. Additionally, the industrial grade VectorNav-100 IMU was selected as a ground truth reference point to which the performance of the test sensors can be compared. In the study, each sensor is exposed to functional levels of UAV vibration as replicated on a single-frequency vibratory table in the NASA Ames SHARP Laboratory, and each accelerometer is characterized for bias, drift, and noise characteristics both before and after vibratory exposure. The focus of this study is to monitor the health of the IMU sensors and determine if sensor degradation can be detected from output error and frequency spectrum analysis, rather than from microscopic examination of the sensors. In this case, sensor degradation and faulty data can be more easily detectable by non-experts hoping to use these sensors as an important piece of an integrated package. In addition, specific sensor degradation modes potentially leading to in-flight hazards could be identified, such as accelerated levels of drift and altered temperature response. The overall goal of this work is to increase levels of safety for future users of these sensors and to provide a clear analysis of sensor limitations currently lacking in most sensor specification documentation.

IMUs↗
DOE OSTI2018

Connected Lighting Systems Efficiency Study: PoE Cable Energy Losses, Part 2

DOE published a report in November 2017 (herein referred to as “Part 1”) summarizing the results of an exploratory study investigating power losses in Ethernet cables used between PoE switches and luminaires in PoE connected lighting systems. Testing was conducted at the Pacific Northwest National Laboratory (PNNL) Connected Lighting Test Bed (CLTB) in September 2017. The results were analyzed to explore the impact of cable selection on PoE lighting system energy efficiency, as well as the effectiveness of guidelines published by the American National Standards Institute (ANSI) C137 Lighting Systems Committee in 2017. The guidance offered in ANSI C137.3-2017 was found to be effective in limiting cable energy losses to 5% in PoE lighting applications, provided that the average cable length on a project does not exceed 50 m. This Part 2 report summarizes the results of a continued investigation of the power losses in Ethernet cables used between PoE switches and luminaires in PoE connected lighting systems. Testing was conducted at the PNNL CLTB in July-August 2018. A test setup comprising a PoE switch, a set of luminaires, and a reference meter was again used to test multiple cable models of varying design. The results were analyzed to explore the impact of cable selection and installation practices (e.g., cable bending, cable bundling, and installation in conduit) on PoE lighting system energy efficiency, as well as the effectiveness of the ANSI C137.3 guidelines. Notably, three cables—two of which were shielded—were previously excluded from the Part 1 study due to compatibility issues. All three cables were included in this Part 2 study, along with a fourth model cable introduced in Part 2. In addition, whereas no patch cords were used in Part 1, patch cords were used in some Part 2 testing. The ANSI C137.3 guidance was again shown to effectively limit power losses to less than 5% in the cables tested (varying in AWG, Category, shielding, fire rating, and manufacturer), and AWG again proved to be the most important cable design variable for energy performance, as expected. However, these findings should not be construed as being representative of all cable models and installation practices. For example, energy losses would be greater when cables are connected to patch cords, bundled in conduit, and loaded with powered devices (PDs) approaching 100 W input power. The other key finding was that with 44 W luminaires as PDs and room ambient temperatures below 30°C, cable energy losses were not substantially increased by cable bending or bundling in uninsulated conduit. However, environments with higher ambient temperatures will have greater energy losses due to increased conductor DCR. In addition, product selection and installation practices will have increased importance as PDs approaching 100 W input power—conveyed by a single Ethernet cable—are introduced following publication of the forthcoming Institute of Electrical and Electronics Engineers (IEEE) Standard 802.3bt. The report also provides recommendations and next steps, which include plans for additional PoE cable energy losses testing with higher-power PDs to more fully explore the potential of PoE lighting systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2006

Stabilizing Microwave Frequency of a Photonic Oscillator

A scheme for stabilizing the frequency of a microwave signal is proposed that exploits the operational characteristics of a coupled optoelectronic oscillator (COEO) and related optoelectronic equipment. An essential element in the scheme is a fiber mode-locked laser (MLL), the optical frequency of which is locked to an atomic transition. In this scheme, the optical frequency stability of the mode-locked laser is transferred to that of the microwave in the same device. Relative to prior schemes for using wideband optical frequency comb to stabilize microwave signals, this scheme is simpler and lends itself more readily to implementation in relatively compact, rugged equipment. The anticipated development of small, low-power, lightweight, highly stable microwave oscillators based on this scheme would afford great benefits in communication, navigation, metrology, and fundamental sciences. COEOs of various designs, at various stages of development, in some cases called by different names, have been described in a number of prior NASA Tech Briefs articles. A COEO is an optoelectronic apparatus that generates both short (picosecond) optical pulses and a steady microwave signal having an ultrahigh degree of spectral purity. The term "coupled optoelectronic" in the full name of such an apparatus signifies that its optical and electronic oscillations are coupled to each other in a single device. The present frequency-stabilization scheme is best described indirectly by describing the laboratory apparatus used to demonstrate it. The apparatus (see figure) includes a COEO that generates a comb-like optical spectrum, the various frequency components of which interfere, producing short optical pulses. This spectrum is centered at a nominal wavelength of 1,560 nm. The spectrum separation of this comb is about 10 GHz, as determined primarily by the length of an optical loop and the bandpass filter in the microwave feedback loop. The optical loop serves as microwave resonator having a very high value of the resonance quality factor (Q). The optical frequency of MLL is then stabilized by locking it to an atomic transition as described below. The COEO contains a tunable 1-nm band-pass optical filter and a piezoelectric-transducer (PZT) drum over which a stretch of fiber is wound. The 1-nm-wide pass band of the filter provides coarse tuning to overlap the frequency comb with the atomic transition frequency. Controlled stretching of the fiber by means of the PZT drum can be used in conjunction with temperature control for locking the laser frequency. To reference to an atomic resonance at 780 nm in this demonstration setup, the optical output of the COEO at 1,560 nm is fed through an erbium-doped-fiber amplifier (EDFA) to a frequency doubler in the form of a periodically poled lithium niobate (PPLN) crystal. The frequency-doubled output is combined with the output of a separate frequency-stabilized diode laser at a photodetector. As described thus far, the two 780-nm laser subsystems are nominally independent of each other and can, therefore, operate at different frequencies. Hence, at the photodetector, the two laser beams interfere, so that the output of the photodetector includes a beat note (a component at the difference between the two laser frequencies).

Maleki, Lute↗
DOE OSTI2022

Validation of edge turbulence codes against the TCV-X21 diverted L-mode reference case

Self-consistent full-size turbulent-transport simulations of the divertor and scrape-off-layer (SOL) of existing tokamaks have recently become feasible. This enables the direct comparison of turbulence simulations against experimental measurements. In this work, we perform a series of diverted ohmic L-mode discharges on the tokamak à configuration variable (TCV) tokamak, building a first-of-a-kind dataset for the validation of edge turbulence models. This dataset, referred to as TCV-X21, contains measurements from five diagnostic systems from the outboard midplane (OMP) to the divertor targets—giving a total of 45 one- and two-dimensional comparison observables in two toroidal magnetic field directions. The experimental dataset is used to validate three flux-driven 3D fluid-turbulence models—GBS, GRILLIX and TOKAM3X. With each model, we perform simulations of the TCV-X21 scenario, individually tuning the particle and power source rates to achieve a reasonable match of the upstream separatrix value of density and electron temperature. We find that the simulations match the experimental profiles for most observables at the OMP—both in terms of profile shape and absolute magnitude—while a comparatively poorer agreement is found towards the divertor targets. The match between simulation and experiment is seen to be sensitive to the value of the resistivity, the heat conductivities, the power injection rate and the choice of sheath boundary conditions. Additionally, despite targeting a sheath-limited regime, the discrepancy between simulations and experiment also suggests that the neutral dynamics should be included. The results of this validation show that turbulence models are able to perform simulations of existing devices and achieve reasonable agreement with experimental measurements. Where disagreement is found, the validation helps to identify how the models can be improved. By publicly releasing the experimental dataset and validation analysis, this work should help to guide and accelerate the development of predictive turbulence simulations of the edge and SOL.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRSDate not supplied

Method Development for In-situ Detection of Latent Herpesvirus DNA from Saliva using Nanopore Sequencing

Research toward latent herpesvirus reactivation has been intensively addressed through Space Shuttle and International Space Station (ISS) investigations. This work has provided the understanding that persistent reactivation of herpesviruses from asymptomatic crew can be detected through viral shedding in saliva, urine, and blood. Occasionally, viral reactivation from the latency stage can pose a threat to crew health (clinical manifestation) before, during, and after flight missions. Furthermore, previous work detailing correlations with immunity indicate that monitoring viral reactivation could be implemented to assess potential immune dysfunction. While in-flight monitoring is desirable, there is no well-established procedure or method for real-time evaluations, and research to date has relied on postflight, ground-based analysis. The development of portable molecular technologies like the miniPCR™ (miniPCR Bio) thermal cycler and the MinION™ sequencer (Oxford Nanopore Technologies) have confirmed that real-time monitoring is possible in extreme and low resource environments. These devices, combined with simple sample preparation methods, have been used to demonstrate bacterial identification onboard the ISS, as well as rapid viral detection in remote locations on Earth. The work here builds upon previous molecular advancements onboard the ISS toward the development and validation of a spaceflight-compatible method for viral detection from crew samples. Several herpesviruses can be detected in saliva, which provides a non-invasive means to collect samples for monitoring. While the basis for this method lies in previous spaceflight investigations, key points for method optimization include DNA extraction from saliva, viral primer selection, and bioinformatic processes for data analysis. To increase viral yield, numerous DNA extraction methods have been evaluated and will be discussed in detail. For initial development and testing, varicella-zoster virus (VZV) is being targeted though open reading frame 51 and 63 (ORF51, ORF63), as the replication origin-binding protein is highly expressed during latency. Optimization of the thermal cycling parameters has resulted in the ability to test the entire process. The full method has been tested with both viral VZV DNA standards and saliva spiked with varying concentrations of VZV. Viral sequence data were mapped to the reference sequence using minimap2. Prior to mapping, DNA sequencing reads were filtered for length and quality, barcodes were removed, and alignment identity calculated. Following further assessments, statistics were compared across multiple sequencing experiments and are being used to determine the success of the protocols. Forward work will include the incorporation of herpes simplex virus 1 (HSV-1) and Epstein-Barr virus (EBV) primers as well as the validation of results to the terrestrial qPCR standard assay. Upon full validation of the developed method, saliva will be collected from 20 healthy subjects and spiked with viral DNA. These samples will be split and assayed with the MinION and standard qPCR assay.

Hang N Nguyen↗
DOE OSTI2023

3D Quantum Anomalous Hall Effect in Magnetic Topological Insulator Trilayers of Hundred‐Nanometer Thickness

Magnetic topological states refer to a class of exotic phases in magnetic materials with the non-trivial topological property determined by magnetic spin configurations. An example of such states is the quantum anomalous Hall (QAH) state, which is a zero magnetic field manifestation of the quantum Hall effect. Current research in this direction focuses on QAH insulators with a thickness of less than 10 nm. Here, molecular beam epitaxy (MBE) is employed to synthesize magnetic TI trilayers with a thickness of up to ≈106 nm. It is found that these samples exhibit well-quantized Hall resistance and vanishing longitudinal resistance at zero magnetic field. By varying the magnetic dopants, gate voltages, temperature, and external magnetic fields, the properties of these thick QAH insulators are examined and the robustness of the 3D QAH effect is demonstrated. The realization of the well-quantized 3D QAH effect indicates that the nonchiral side surface states of the thick magnetic TI trilayers are gapped and thus do not affect the QAH quantization. The 3D QAH insulators of hundred-nanometer thickness provide a promising platform for the exploration of fundamental physics, including axion physics and image magnetic monopole, and the advancement of electronic and spintronic devices to circumvent Moore's law.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Design, construction, and testing of no-insulation small subscale solenoids for compact tokamaks

Fusion energy systems studies (FESS) for next-step devices based on the most promising magnetic configurations indicate that high magnetic fields and high current density for magnet coil systems may reduce device size and lower the cost. High current density and radiation resistant fusion magnets are particularly beneficial for low cost, low aspect ratio compact reactor designs such as Fusion Nuclear Science Facility (FNSF), Fusion Pilot Plant (FPP) of low-aspect ratio spherical tokamak (ST) or compact stellarators. Unlike typical high field magnets for nuclear magnetic resonance (NMR), magnetic resonance imaging (MRI), or high energy physics research applications, neutron irradiation damage to organic insulations in the coil winding pack is a critical issue for next generation fusion reactors where orders of magnitude higher neutron fluence than those in present experimental reactors such as ITER are expected. Moreover, a high coil winding pack current density is needed for high field magnets in low cost, compact radial build next step fusion reactors. The slow current charging time, however, is an issue in fully non-insulated coils. In this work, we present the design, construction and testing of subscale Nb3Sn solenoids, up to half the diameter of the central solenoid (CS) for National Spherical Torus Experiment (NSTX), with and without inter-layer insulation for enhancing radiation resistance while improving the winding pack current density and coil performance. The major radius for the NSTX/NSTX-Upgrade (reference for compact ST) is 0.854/0.934 meter, and 4.8 meters for FNSF. The magnetic field for NSTX/NSTX-U at the plasma center is 0.6/1 Tesla and 9 Tesla for FNSF. The inner diameter of the central solenoid coil is 0.2/0.4 meter for NSTX/NSTX-U and 1.2 meters for FNSF. The current charging and discharging behavior of the prototype solenoids was investigated to quantify performance advantages of a simplified coil fabrication without error-prone vacuum pressure impregnation (VPI) for the removal of epoxy organic insulation. Scalability of the no insulation concept for fusion can be addressed via engineered coating for novel insulation on contact resistance or intra-layer no insulations. Radiation resistance and coil winding efficiency were significantly improved in the no insulation coils for next step compact fusion reactors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2020

The Flexible Lunar Architecture for Exploration (FLARE): Designed for the Artemis-3 Moon 2024 Mission and Beyond

The Flexible Lunar Architecture for Exploration (FLARE) is a concept to deliver four crew to the lunar surface for 7 to 14 days and then return them safely to Earth by 2024. This meets NASA’s internal 2024 lunar landing deadline directed by President Trump (Trump, 2017) and the “5-year” goal set forth by Vice President Pence (Pence, 2019). FLARE is an alternative to NASA’s Human Landing System reference architecture from the Design Analysis Cycle (DAC) #2 (NASA, 2019b). The minimum FLARE concept uses one Space Launch System launch, one Orion, one European Service Module (ESM), and one human lander to deliver four crew to the Moon for a minimum surface duration of 7 days and return them to Earth. FLARE adds a new capability, called the SpaceTug, based upon the mature and successful United Launch Alliance “Common” Centaur Upper Stage vehicle, with modifications. In FLARE, the SpaceTug provides propulsion needed to return the Orion+ESM from the Moon to Earth. The SpaceTug also provides propulsion to deliver the human lander Descent Element (DE) and Ascent Element (AE) separately to lunar orbit. The Orion+ESM then completes a rendezvous with the mated DE+AE in lunar orbit. FLARE also offers optional phases to the Moon 2024 mission. The SpaceTug can also deliver components of the planned Gateway - including the Power and Propulsion Element and the Habitation and Logistics Outpost - to lunar orbit; however, the planned FLARE destination is a Low Lunar Frozen Polar Orbit unlike the NASA DAC2 plan for a Near Rectilinear Halo Orbit. FLARE also provides an option to deliver precursor equipment - including a habitation module, crew mobility devices and an In-Situ Resource Utilization demonstration - to the lunar surface for enhanced crew exploration and science with the extended 14-day surface mission.

Commercial Launch Vehicles (CLV)↗
DOE OSTI2022

Conceptual design of a heavy ion beam probe diagnostic for the Wendelstein 7-X Stellarator

This article describes the current state of the design of the heavy ion beam probe (HIBP) for Wendelstein 7-X (W7-X). It will be the first HIBP diagnostic on an optimized stellarator and is designed to study electric fields and ion scale turbulence in all W7-X reference magnetic configurations. The use of an existing 2 MV accelerator, located outside of the torus hall, results in the need for a circuitous primary beamline. This increases the complexity of the ion optics design to deliver a focused beam to the plasma. To access most of the magnetic configuration space of W7-X, the secondary beamline and an energy analyzer are designed to pivot, thereby redirecting a wider range of secondary beam trajectories. Signal level estimates indicate that the equilibrium potential can be measured at all radii and that the radial coverage for potential and density fluctuations measurements depends on the plasma density.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

How shear increments affect the flow production branching ratio in CSDX

In this study, the coupling of turbulence-driven azimuthal and axial flows in a linear device absent magnetic shear (Controlled Shear Decorrelation Experiment) is investigated. In particular, we examine the apportionment of Reynolds power between azimuthal and axial flows, and how the azimuthal flow shear affects axial flow generation and saturation by drift wave turbulence. We study the response of the energy branching ratio, i.e., ratio of axial and azimuthal Reynolds powers, P z R / P y R , to incremental changes of azimuthal and axial flow shears. We show that increasing azimuthal flow shear decreases the energy branching ratio. When axial flow shear increases, this ratio first increases but then decreases to zero. The axial flow shear saturates below the threshold for parallel shear flow instability. The effects of azimuthal flow shear on the generation and saturation of intrinsic axial flows are analyzed. Azimuthal flow shear slows down the modulational growth of the seed axial flow shear, and thus reduces intrinsic axial flow production. Azimuthal flow shear reduces both the residual Reynolds stress (of axial flow, i.e., Π x z R e s ) and turbulent viscosity ( χ z D W ) by the same factor | < v y > ' | - 2 Δ x - 2 L n - 2 ρ s 2 c s 2 , where Δ x is the distance relative to the reference point where < v y > = 0 in the plasma frame. Therefore, the stationary state axial flow shear is not affected by azimuthal flow shear to leading order since < v z > ' ~ Π x z R e s / χ z D W .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

HydraGNN_Predictive_GFM_2024 - Ensemble of predictive graph foundation models for ground state atomistic materials modeling

We provide the ensemble of fifteen pre-trained graph foundation models (GFMs) for atomistic materials modeling applications. Each one of the fifteen GFMs has been trained on five open-source datasets that (once aggregated) amount to over 154 million atomistic structures, which cover over two-thirds of the natural elements of the periodic table and that comprises a broad set of organic and inorganic compounds. This vast set of atomistic structures comprises ground state configurations that are dynamically stable (i.e., equilibrated structures with atomic forces approximately close to zero values) as well as dynamically unstable structures (i.e., non-equilibrium structures with non-negligible non-zero values of atomic forces). The ensemble of datasets aggregated does NOT include excited states. The datasets have been curated to remove atomistic structures with spectral norm of the force tensor above 100 eV/angstrom. Moreover, a linear term of the energy was computed for each dataset using a linear regression model that uses the chemical concentration of each natural element as regressor. The linear term predicted by the linear regression model has been subtracted from each original energy value to perform a re-alignment of the energy values across different electronic structures approximation theories performed to generate the diverse multi-source, multi-fidelity datasets. The folder "ADIOS_files" contains the set of pre-processed datasets in Adaptable I/O System (ADIOS) format (https://www.exascaleproject.org/research-project/adios/) that have been used for the development and training of GFMs in this work. The "ADIOS_files" directory contains 6 sub-directories named as follows: - ANI1x-v3.bp - MPTrj-v3.bp - OC2020-20M-v3.bp - OC2020-v3.bp - OC2022-v3.bp - qm7x-v3.bp Each sub-directory contains the pre-processed datasets converted in Adaptable I/O System (ADIOS) format (https://www.exascaleproject.org/research-project/adios/) that have been used to the development, training, and performance testing of the ensemble go predictive graph foundation models. Each GFM was developed using HydraGNN (https://github.com/ORNL/HydraGNN) as underlying graph neural network (GNN) architecture. The multi-task learning (MTL) capability of HydraGNN was used to simultaneously train the GFMs on labeled values for direct predictions of energy (a total system property of an atomistic structure that measures the chemical stability) and atomic forces (an atomic level property of an atomistic structure that measures the dynamical stability). The hyper parameters of the GFM have been tuned using scalable hyperparameter optimization (HPO) algorithms implemented in the software DeepHyper (https://github.com/deephyper/deephyper). The pre-training of each HPO trial was performed using distributed data parallelism (DDP) to scale the training across 128 compute nodes of the exascale OLCF supercomputer Frontier. Each HPO trial was trained only for 10 epochs and an early stopping was performed to avoid wasting significant computational resources on GNN architectures that were clearly underperforming. For each HPO trial, the 'omnistat' tool developed by (AMD Research - Advanced Micro Device) was used to measure the total energy consumption in kWh. The ensemble of GFMs was obtained by selecting the fifteen best performing HPO trials. Four models have been selected for their clear advantage in accuracy, and these are the GFMs with IDs 229, 156, 147, 260. Additional eleven models have been selected based on judicious balance between accuracy and energy consumption needed for training, and these are the GFMs with IDs 165, 78, 137, 1, 175, 171, 181, 67, 179, 167, 351. Each selected GFM of the ensemble was continued to cumulate a total of at most 30 epochs. In some cases, the total number of epochs actually performed was les than 30 due to two combined factors: (1) the size of the GFM (i.e., the number of model parameters to train) and (2) the total wall-clock time for which the computational resources could be allocated on OLCF-Frontier. The "Ensemble_of_models" directory contains 15 sub-directories named as follows: - gfm_0.229 - gfm_0.156 - gfm_0.147 - gfm_0.260 - gfm_0.165 - gfm_0.78 - gfm_0.137 - gfm_0.1 - gfm_0.175 - gfm_0.171 - gfm_0.181 - gfm_0.67 - gfm_0.179 - gfm_0.167 - gfm_0.351 Each one of these sub-directories refers to one of the fifteen HPO trials that have been selected to continue the pre-training with at most 30 epochs. With each sub-directory associated with a specific HPO trial, the following files can be found: - config.json: file for argument parsing to develop and train an HydraGNN architecture - gfm_0.ID_epoch_N.pk: file with model parameters for HPO ID trial after N epochs of training The ensemble of fifteen GFM architectures was used for (1) ensemble averaging to stabilize the predictions of energy and atomic forces after pre-training for post-processing analysis and (2) ensemble uncertainty quantification (UQ). The code used to develop, pre-train, and load the pre-trained models for post-processing analysis is available on the ORNL-GitHub at the following link: https://github.com/ORNL/HydraGNN/tree/Predictive_GFM_2024

36 MATERIALS SCIENCE↗
DOE OSTI2025

Deep Cyber-Physical Situational Awareness for Energy Systems: A Secure Foundation for Next-Generation Energy Management

This document provides the final report for the CYPRES project. The purpose is (1) to highlight and summarize its major accomplishments and (2) to provide guidance on how its outcomes have informed and can inform important additional research and technology transfer. The goal of CYPRES was the research, development, and demonstration of a security-oriented next generation cyber-physical EMS for electric power systems that detects malicious and abnormal events through the fusion of cyber and physical data. To achieve this, the CYPRES project team researched, developed, and built a prototype of the solution, referred to as the CYPRES EMS. The CYPRES EMS is a proof-of-concept cyber-physical platform that demonstrates the management of the energy system, communications, security, and cyber-physical grid modeling and analytics. As part of the capabilities of the CYPRES EMS, the team designed and developed a suite of power system applications for monitoring, risk analyses, detection, and control that are inherently cyberaware. At its core, the project aimed to research, develop, and demonstrate a security-oriented next-generation cyber-physical Energy Management System (EMS) capable of detecting malicious and abnormal events through the innovative fusion of cyber and physical data. This approach represents a fundamental shift from traditional EMS, reimagining how critical infrastructure can be protected through unified cyber-aware and physics-aware secure data flow pipelines. The project’s cornerstone deliverable, the CYPRES EMS, serves as a proof-of-concept cyber-physical platform that revolutionizes the management of energy systems, communications, security, and cyber-physical grid modeling and analytics. This prototype implements a comprehensive suite of power system applications for monitoring, risk analyses, detection, and control, all designed with inherent cyber awareness. The system’s architecture extends from end-devices in the field through to control center applications, establishing a secure and resilient control framework that addresses the challenges posed by diverse devices of unknown trustworthiness connecting to modern power systems. Through this innovative approach to deep cyber-physical situational awareness, the CYPRES project not only advances the state-of-the-art in energy infrastructure protection but also establishes a new paradigm for how EMS can be designed, deployed, and operated in an increasingly complex threat landscape. The findings and developments from this project provide crucial insights for stakeholders across the energy sector, offering a blueprint for enhancing the reliability and resilience of our nation’s critical energy infrastructure in the face of evolving cyber threats.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Recrystallization, cracking, and erosion of dispersoid-strengthened tungsten materials during exposure to divertor plasmas

In this study, we investigated the effects of combined intense particle and heat flux exposure on advanced tungsten plasma-facing materials within the DIII-D fusion facility. Our test matrix included two types of dispersoid-strengthened tungsten (containing either 100 nm diameter TiO 2 or Ni particles), along with high-purity polycrystalline tungsten as a reference. This experiment relied on a sample geometry angled at 15° relative to the divertor surface, thereby allowing the surfaces to intercept steady-state perpendicular heat fluxes (q ⟂ ) ranging from 10.1 to 19.6 MW/m 2 . During each shot, the samples were exposed to 42 Hz edge-localized modes (ELMs), allowing us to test the material response to transient heating. We correlated the exposure conditions with extensive post-test surface composition analysis and microscopy to determine how the plasma modified each surface. The angled specimens closest to the strike point received the highest combined heat and particle flux and melted midway through the experiment. EBSD analysis revealed they were completely recrystallized throughout, with an average grain size >100 µm. On the other hand, the specimens that received a lower steady state heat flux survived with more superficial surface damage. Whereas the high-purity polycrystalline tungsten exhibited a higher surface roughness, the dispersoid-strengthened material exhibited more extensive shallow inter-granular cracking. In addition, the surface was depleted of dispersoids following plasma exposure, possibly because of evaporation and/or sputtering. The results described here provide insights into the performance of these materials in a fusion environment which can guide further optimization for use in long-pulse devices.

Kolasinski, Robert D. [Sandia National Laboratorie↗
NASA NTRS1991

Test equipment data package for the KC-135 fiber pulling apparatus

The Fiber Pulling Apparatus (FPA) is a device designed to produce continuous glass fibers from simulated lunar soil, and to determine the effects of reduced gravity, specifically 1/6 g on fiber formation and resultant properties. Briefly, pre-melt simulated lunar soil will be placed in a pint crucible and heated to 1200 C or higher, up to a maximum temperature of 1400 C. At a given temperature, a quartz fiber will be immersed into the melt and then pulled through a chill block and wound onto a cylindrical bobbin using a servo motor control. A high resolution video camera will record the fiber as it is being pulled. This assembly wil be enclosed in Plexiglas. Before fiber pulling commences, the apparatus will be backfilled with dry nitrogen. A separate data acquisition system will support this apparatus. This system will contain a personal computer, video recorder, and monitor. Temperature, acceleration, winding speed, and video images will be controlled and recorded using the data acquisition system. Thus, the FPA will consist of two hardware packages, the fiber production assembly and the data acquisition rack. The primary objective of this test is to determine the effects of 1/6 g on the formation of continuous glass fiber made from simulated lunar soil. Baseline studies using the FPA on the ground will provide a reference for the 1/6 g studies. Of particular interest will be the effect of 1/6 g on the free fluid zone where the fiber exits the crucible. In the fiber spinning parlance this zone is known as the upper jet region, where the boundary slope is greater than one tenth. The properties of the resulting glass fiber will depend on the jet shape as well as distributions of velocity, temperature and tension within the jet. It is unknown at this time how 1/6 g will effect these parameters.

Kosten, Sue↗
DOE OSTI2017

Electrochemical Membrane for Carbon Dioxide Capture and Power Generation

FuelCell Energy, Inc. (FCE), in collaboration with AECOM Corporation (formerly URS Corporation) and Pacific Northwest National Laboratory, has been developing a novel Combined Electric Power and Carbon-dioxide Separation (CEPACS) system. The CEPACS system is based on electrochemical membrane (ECM) technology derived from FCE’s carbonate fuel cell products featuring internal (methane steam) reforming and carrying the trade name of Direct FuelCell®. The unique chemistry of carbonate fuel cells offers an innovative approach for separation of CO 2 from existing fossil-fuel power plant exhaust streams (flue gases). The ECM-based CEPACS system has the potential to become a transformational CO 2 -separation technology by working as two devices in one: it separates the CO 2 from the exhaust of other plants such as an existing coal-fired plant and simultaneously produces clean electric power at high efficiency using a supplementary fuel. The development effort was carried out under the U.S. Department of Energy (DOE) cooperative agreement DE-FE0007634. The overall objective of this project was to successfully demonstrate the ability of FCE’s ECM-based CEPACS system technology to separate ≥90% of the CO 2 from a simulated Pulverized Coal (PC) power plant flue gas stream and to compress the captured CO2 to a state that can be easily transported for sequestration or beneficial use. In addition, a key objective was to show, through the technical and economic feasibility study and bench scale testing, that the ECM-based CEPACS system is an economical alternative for CO 2 capture in PC power plants, and that it meets DOE’s objective related to the incremental cost of electricity (COE) for post-combustion CO 2 capture (no more than 35% increase in COE). The project was performed in three budget periods (BP). The specific objective for BP1 was to complete the Preliminary Technical and Economic Feasibility Study. The T&EF study was based on the carbon capture system size suitable for a reference 550 MW PC power plant. The specific objectives for BP2 were to perform (flue gas) contaminant effect evaluation tests, small area membrane tests using clean simulated flue gas, design a flue gas pretreatment system for processing of the gas feed to ECM, update the Technical & Economic Feasibility Study (T&EFS) incorporating results of contaminant effect tests and small area membrane tests, and to prepare a test facility for bench scale testing. The specific objectives for BP3 were to perform bench scale testing (parametric and long-duration testing) of a 11.7 m 2 ECM-based CO 2 capture, purification and compression system, and update (as final) the Technical and Economic Feasibility Study. In addition, an Environmental Health and Safety evaluation (assessment) of the ECM technology was included. This final technical report presents the progress made under the project.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2017

HIGH EFFICIENCY HIGH DENSITY GAN BASED 6.6KW BI-DIRECTIONAL ON-BOARD CHARGER FOR PEVS

Executive Summary: In the 4th quarter of 2014, a program was formally initiated at Delta Products to develop and commercialize a lightweight, compact and high efficiency bi-directional on-board Charger (OBC) for plug-in electric vehicle use. The project was funded in part by the U.S. Department of Energy (DOE), under award DE- EE0006834. Delta products was the prime contractor to DOE during the three-year duration of the project. In addition to Delta Products, several additional supplier-partners were engaged in this research and development (R&D) program, including Transphorm, Inc., The Center for Power Electronics Systems (CPES) at Virginia Tech, and Fiat Chrysler Automobiles. The OBC uses novel control schemes enabled by Gallium Nitride (GaN) switches to obtain charger efficiency of 95% and reduce volume and mass by 50% of the existing state-of-the-art silicon (Si) based chargers and inverters. A Si-based bidirectional OBC is typically implemented with two separate modules: a charger and an inverter. A GaN-based bidirectional OBC can integrate both functions into a single module. It will result in substantial reductions in size, weight and cost. This enables the introduction of WBG devices in automotive production programs. The inverter function integrated with PHEV can act as emergency power source in case of power interruption. This increases the power security when the electric infrastructure is damaged by extreme weather conditions. This report summarizes the program and describes the key research outcomes of the program. A technical history of the project activities is provided, which describes the key steps taken in the research and the findings made at successive stages in the multi-stage work. The evolution of OBC prototypes is described in detail. After the program history is reviewed, the key attributes of the resulting OBC are described in terms of functionality, performance, and cost. The results clearly demonstrate the ability of this OBC to meet or exceed DOE's targets for this program, including: • Construction of a working product-intent prototype of a bi-directional on-board Charger (OBC); • Peak efficiency of 95% and volume reduction of 50% compared to a recent production modules of similar ratings. • Bi-directional operation at 120Vac and 240Vac in vehicle. In addition to meeting all the program goals, the program was completed within the original budget and timeline established at the time of the award. The summary program budget and timeline, comparing plan versus actual values, is provided for reference, along with several supporting explanatory notes. Technical information relating to the product design and test results are contained in the appendices to this report.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Precursor Analysis Report: Industroyer Targeting Ukraine Electric Power Transport Utility (Ukrenergo) 2016

The Industroyer Targeting Ukraine Electric Power Transport Utility (Ukrenergo) 2016 Precursor Analysis Report leverages publicly available information about the December 2016 cyber attack against the Ukrainian Ukrenergo electric transmission utility and catalogs anomalous observables for each technique employed in the attack. This analysis is based upon the methodology of the Cybersecurity for the Operational Technology Environment (CyOTE) program. Industroyer is a modular malware framework designed to deploy several Industrial Control System (ICS) protocol-specific attack payloads to disrupt electricity distribution. Adversaries deployed Industroyer within the target network on a Microsoft Windows endpoint capable of directly manipulating or communicating with ICS. Industroyer abuses the functionality of a targeted ICS’s legitimate control system to achieve its intended impact. Adversaries likely first gained access to Ukrenergo enterprise networks in early 2016 after a successful spearphishing campaign against organizations in the electric power sector. Adversaries then began capturing credentials beginning on 1 December 2016. This allowed access to the ICS environment at the Pivnichna electric transmission substation outside Kyiv through a device dual-homed on the Information Technology (IT) and ICS networks. Adversaries conducted discovery, targeting, and access to this device using information and previously captured credentials from compromised enterprise IT machines. Finally, the adversaries deployed and launched the Industroyer malware just before midnight on 17 December. By midnight, Ukrenergo had lost control of a targeted substation, resulting in electric power outages for over an hour in the city of Kyiv and the Kyiv region. Researchers and analysts identified 31 unique techniques (used in a sequence of 33 steps) utilized during the attack with a total of 846 observables using MITRE ATT&CK® for Industrial Control Systems. The CyOTE program assesses observables accompanying techniques used prior to the triggering event to identify opportunities to detect malicious activity. If observables accompanying the attack techniques are perceived and investigated prior to the triggering event, earlier comprehension of malicious activity can take place. Twenty-nine of the identified techniques used during the Industroyer cyber attack were precursors to the triggering event. Analysis identified 548 observables associated with these precursor techniques, 353 of which were assessed to have an increased likelihood of being perceived in the 300 days preceding the triggering event. The response and comprehension time could have been reduced if the observables had been identified earlier. The information gathered in this report contributes to a library of observables tied to a repository of artifacts, data sources, and technique detection references for practitioners and developers to support the comprehension of indicators of attack. Asset owners and operators can use these products if they experience similar observables or to prepare for comparable scenarios.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗