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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

GRIDAPPSD/distopf (33583-E)

DistOPF is an open-source Python package providing a three-phase, asymmetric optimal power flow (OPF) tool specifically designed for distribution systems. The key inventive features include: - Asymmetrical 3-phase OPF modeling for distribution systems with unbalanced phases - Comprehensive control optimization supporting both active (P) and reactive (Q) power control variables - Built-in visualization and validation tools - Standard test system benchmarking platform for algorithm development and comparison - Modular CSV-based input system using Pandas DataFrames for flexible model specification - Standard power distribution model importer enabling direct conversion from CIM and OpenDSS format to optimization-ready models - Multiple solve interface compatibility (PYOMO, CVXPY, SciPy) with automatic solver selection based on problem type

Gray, Nathan [Pacific Northwest National Laborator↗
DOE OSTI2022

High-Fidelity Measurements for Flattop-HEU Benchmark Reevaluation

Flattop was first built in the 1950’s at Los Alamos National Laboratory. Flattop-HEU is composed of a sphere of highly enriched uranium (HEU) surrounded by a thick spherical natural uranium (NU) reflector. The reflector is composed of three parts: a stationary hemisphere and two movable quarter spheres. For fine control of the reactivity of the system, there are three control rods of natural uranium located in voids in the stationary hemisphere. The final components that make Flattop a useful critical assembly are the glory hole and mass adjustment pieces. These pieces can be loaded in various configurations into the glory hole and the core pedestal to control the known worth of the system. The glory hole and mass adjustment pieces are mostly small pieces of HEU with some mass adjustment pieces fabricated from NU. This allows for the irradiation of samples to a specified level. To better document the system, Flattop was evaluated and included in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) handbook. The original benchmark evaluation of Flattop-HEU was written in 1999 based on an experiment completed in the 1960’s. This original evaluation was written to provide a single diameter that defined critical mass; however, as computational capabilities have increased, the focus for benchmark evaluations has shifted to include detailed modelswith all physical dimensions. Thus, as Flattop is a lynchpin in critical experiment work, the benchmark is being reevaluated at current standards. This summary discusses some of the largest known uncertainties from the evaluation and the high-fidelity measurements taken to reduce these uncertainties.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Controlled Growth of Ta Oxide With Reactive Sputtering for Overlap Josephson Junction Application

Josephson junctions $\($JJs$\)$ are indispensable elements for superconducting quantum electronics. There is a growing need to develop processes for high quality JJs. Here we explore the growth of Ta oxide as a dielectric barrier for Metal-Oxide-Metal overlap JJ implementations. We study films of Ta oxides prepared with reactive magnetron sputtering. TaOx is grown on silicon and Ta films with varying RF power and oxygen concentrations. Tuning these parameters allows us to control the rate of deposition as well as composition of polycrystalline Ta oxides needed to meet our dielectric requirements for Josephson Junctions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Development of Predictive Models for Advanced Reactor Autonomous Control

Advanced reactor designs including microreactors and small modular reactors will contribute to the clean production of cheap energy, and autonomous control for advanced reactors is an appealing option for reducing cost. However, there is a lack of industry experience applying autonomous control for advanced nuclear reactors. To accelerate the development and industry acceptance of autonomous control software for nuclear reactors, we aim to demonstrate autonomous control of the Purdue University research reactor (PUR-1) using INL-developed model predictive control (MPC) methods. To prepare for this demonstration, data-driven predictive models based on process data collected from PUR-1 have been developed and integrated with MPC and used to control a physics-based model of PUR-1. A data-driven dynamics model and a gated recurrent unit (GRU) network were both trained on process data from PUR-1. The dynamics model was shown to effectively control the reactor model with MPC when provided reactivity as a control variable but failed to control the model through the control rod positions. The GRU network produced more accurate predictions than the dynamics model when evaluated on operational data, and future work will include the evaluation of the GRU network in the controller.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Molten Salt Reactor Experiment Benchmark Evaluation

As one of the six advanced reactor concepts selected by the 2002 Generation IV roadmap as a technology meriting future research, Molten Salt Reactors (MSRs) attracted broad attention and multiple private and public entities are working towards its commercialization. Facing stringent regulatory requirements, validations of computational codes used to calculate and prove the safety characteristics of MSRs play a key role. This project developed the world-first, MSR-related reactor physics benchmark based on a series of zero-power experiments conducted at the Molten Salt Reactor Experiment (MSRE). The benchmark was successfully reviewed by the International Reactor Physics Experiment Evaluation Project (IRPhEP) committee and is available in the IRPhEP handbook starting form the 2019 edition. To benchmark experimental data from the MSRE, a three-dimensional high-fidelity model was developed using the Monte Carlo neutron transport code Serpent 2 and ad-hoc methods have been implemented to account for the unique feature of fuel salt motion. The calculated effective multiplication factor, k eff , for the first criticality experiment, when 235 U was progressively added to the fuel salt in order to achieve criticality with stationary salt and isothermal conditions, was 1.02132 (±3 pcm). The total uncertainty for experimental k eff was estimated to be 420 pcm. The calculated k eff is 2.154% larger than the experimental and benchmark model value, which is approximately five times the benchmark model uncertainty. It is to be noted that, for systems containing large volume of graphite (or other carbonaceous materials), Monte Carlo codes tend to overestimate the keff of the benchmark model by 1% to 2%. The bias is possibly due to uncertainties in the impurity content of the graphite blocks, uncertainty in the neutron capture cross section of carbon or uncertainty in the properties of nuclear-grade graphite. The calculated reactivity coefficient of 235 U concentration (0.2228 ± 0.0014, represented as the change of reactivity over the relative change of 235 U mass in loop) matches well with the experimental value (0.223 ± 0.006), strengthening the confidence on the accurate representation of the fuel salt composition in the MSRE benchmark. Additional reactivity effect calculations, including the control rod bank worth, reactivity effects of fuel circulation and isothermal and fuel temperature coefficients show good agreement with the experimental values (within 1σ) as well.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Evaluation of Curtailment Associated with PV System Design Considerations

Distributed photovoltaic (PV) systems equipped with advanced inverters can control real and reactive power output based on grid and atmospheric conditions. The Volt-Var control method allows inverters to regulate local grid voltages by producing or consuming reactive power. Based on their power ratings, the inverters may need to curtail real power to meet the reactive power requirements, which decreases their total energy production. To evaluate the expected curtailment associated with Volt-Var control, yearlong quasi-static time-series (QSTS) simulations were conducted on a realistic distribution feeder under a variety of PV system design considerations. Overall, this paper found that the amount of curtailed energy is low (<; 0.55%) compared to the total PV energy production in a year but is affected by several PV system design considerations.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2025

Nanoporous Fe 2 O 3 and Soluble Fe(II) Intermediates Accelerate the Electrodeposition of Fe in NaOH(aq)

Electrochemical conversion of iron oxide to iron metal can enable low-cost batteries for long duration energy storage and zero-emissions ironmaking for steel. Iron oxides, such as hematite, can be electrochemically reduced to metallic iron in concentrated alkaline electrolytes at modest temperatures, but the relative influences of solid-state and dissolved intermediates at practical reaction rates remains unclear. Here, in this study, we prepare a homologous set of well-defined hematite particles to measure how the nanoscale morphology of oxides controls both their reactivity and apparent reduction mechanism in concentrated hydroxide. Correlated electron microscopy and rotating-ring-disk-electrode measurements revealed that nanoporous hematite and solid intermediates formed iron via a dissolution-redeposition pathway. In contrast, dense hematite particles directly formed iron metal via reactive fracture. While previous studies on iron electrowinning have primarily emphasized the role of particle diameter at the micron scale, these results demonstrate the importance of the dissolution-redeposition pathway to support rapid reaction rates and suggest that nanoscale porosity controls iron oxide reactivity at temperatures <100 °C. Therefore, iron-oxide-to-metal electrolyzers and fast-charging iron-air batteries supported by curtailed electricity can increase the rate of metal formation by accelerating fracture and dissolution in reactant oxides.

TEM↗
DOE OSTI2021

The Relationship Between Perceived Control and Hypothalamic–Pituitary–Adrenal Axis Reactivity to the Trier Social Stress Test in Healthy Young Adults

Psychological factors can modulate the hypothalamic–pituitary–adrenal (HPA) axis activity toward stressors. Animal studies demonstrated that uncontrollability was one critical factor associated with HPA axis stress response, but the results in human studies were inconsistent. The current study adopted a standardized laboratory stress induction procedure, the Trier Social Stress Test (the TSST), as the stressor to regulate the objective controllability level, and young adult participants were asked to rate their subjectively perceived control level toward the stressor and measured their cortisol stress responses ( N =54; 19 females and 35 males) to address this concern. Results showed that participants’ perceived control on the TSST was related to the cortisol stress response. In other words, under the stress of a certain objective controllability level, the lower the subjectively perceived control level, the greater the HPA axis response. This finding suggested that, in addition to objective controllability, subjectively perceived control is a psychological factor that regulates activation of the HPA axis in young adults.

Liu, Qian↗
DOE OSTI2024

Positive-Sequence Modeling of Droop-Controlled Grid-Forming Inverters for Transient Stability Simulation of Transmission Systems

Here, this paper describes a positive-sequence model to represent two widely reported droop-controlled grid-forming inverters for bulk power systems simulation study. Methods of how to develop the equivalent voltage source behind impedance to represent inverters with and without inner control loops, modeling of P-f and Q-V droop controls, active and reactive power limiting modeling, and modeling of fault current limiting controls are described in detail. The model is implemented in commercially available positive-sequence simulation tools and compared with detailed electromagnetic transient models in both a single-grid-forming-inverter infinite-bus system and a modified IEEE 39-bus system. Finally, the model is tested on the full US Western Electricity Coordinating Council (WECC) system. Study results show that the model has a good level of accuracy compared to the detailed EMT models, and at the same time also achieves a high computational efficiency, which is suitable for the bulk power system simulation study.

42 ENGINEERING↗
DOE OSTI2020

Controlling Surface Phase Transition and Chemical Reactivity of O3-Layered Metal Oxide Cathodes for High-Performance Na-Ion Batteries

O3-layered metal oxides are promising cathode materials for high-energy Na-ion batteries (SIBs); however, they suffer from fast capacity fade. In this work, we develop a high-performance O3-NaNi 0.68 Mn 0.22 Co 0.10 O 2 cathode for SIBs toward practical applications by suppressing the formation of a rock salt layer at the cathode surface with an advanced electrolyte. The cathode can deliver a high specific capacity of ~196 mAh g –1 and demonstrates >80% capacity retention over 1000 cycles. NaNi 0.68 Mn 0.22 Co 0.10 O 2 –hard carbon full-cells with practical loading (>2.5 mAh cm –2 ) and lean electrolyte (~40 μL) demonstrate ~82% capacity retention after 450 cycles. A 60 mAh single-layer pouch cell has also been fabricated and demonstrated stable performance. This work represents a significant leap in SIB development and brings new insights to the development of advanced layered metal oxide cathodes for alkaline-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2023

Thermodynamic controls on the synthesis, structure and reactivity of materials for energy (Final Report)

The major objectives have been: a) to advance and use unique calorimetric capabilities to determine the energetics of oxide and other materials having possible energy applications, with an emphasis on new materials for batteries, fuel cells and solar energy conversion, b) to understand, in terms of both macroscopic energetics and microscopic structure and bonding, the interplay of defect chemistry, oxidation-reduction, and size effects at the bulk and nanoscale in determining materials properties. This project emphasizes mixed ionic-electronic conduction materials containing transition metals of variable valence, especially perovskites and lithium containing phases, with M = Mn, Fe, Co, Ni. The thermochemistry of new families of complex halide, chalcogenide, nitride and hybrid (organic-inorganic) perovskite materials were explored. The major and unique technique employed is high temperature oxide melt solution calorimetry, with careful attention given to materials synthesis and characterization. The thermochemical studies will be coupled with structural studies, especially to characterize order-disorder phenomena by in situ high temperature diffraction techniques.

14 SOLAR ENERGY↗
DOE OSTI2020

Nontraditional Catalyst Supports in Surface Organometallic Chemistry

The field of Surface Organometallic Chemistry (SOMC) aims to blend the positive attributes of homogeneous and heterogeneous catalysis. Significant insight into heterogeneous systems has been gained over the years through the synthesis, characterization, and application of well-defined surface organometallic catalysts, predominantly supported on silica and alumina. Considerable research efforts have focused on the application of homogeneous methods to the synthesis and characterization of these systems. Homogeneous catalysis has thrived on its ability to electronically and sterically tune ligands to yield desired reactivity and selectivity. Efforts in SOMC, however, have only recently turned to harnessing the stereoelectronic diversity of potential inorganic support materials beyond silica and alumina in order to exert similar control on the reactivity of the organometallic active site. The support material is intrinsically linked to electronic structure and reactivity of heterogeneous organometallic systems in the same way that ligands exert control over homogeneous catalyst systems. The ability to tune the reactivity of heterogeneous catalysts by changing the support is of great value, and it is anticipated that this will represent an area of significant growth in the field. In this Perspective, the use and future of nontraditional catalyst supports, such as sulfated metal oxides, modified silicas, and redox active supports are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Analyzing Gas Turbine-Generator Performance of the Hybrid Power System

We report kinetic energy available from the turbomachinery may boost short-term ramp rates during load shifting between generator and fuel cell that may be exploited to optimize the performance of turbine-fuel cell hybrid systems during load following. The paper starts with modeling a gas turbine, gearbox, and generator sitting on the rigid shafts as a two-mass model primarily for estimating the rotational inertia available from the turbogenerator. The gas turbine and its environment impose constraints of available space allowances, measurements from high-speed rotating parts, lack of accessibility to the shaft of measure, making replacements and/or required installation adjustments of the torque transducer difficult. It is demonstrated that in the absence of torque measurement, the data containing only a slow excursion of the rotor motion in response to a slight load change is sufficient to determine inertia and damping coefficients from the model. Furthermore, the generator’s reactive power capability was investigated because it serves as an asset in integrated hybrid systems to meet dynamic reactive power demands, reducing the burden on the fuel cell’s power electronics control in generating reactive power.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Cooperative fault management for resilient integration of renewable energy

Cooperative fault management (CFM) is designed herein to control different types of renewable energy resources cooperatively during electrical faults. This paper studies systems with a high penetration of photovoltaic (PV) energy and wind energy. First, CFM leverages power converters of PV farms to boost the ride-through capability of nearby doubly-fed induction generators (DFIGs). By controlling PV farms’ output voltages to change smoothly during both fault initiation and fault clearance, the widely used crowbar in DFIGs is less likely to be activated. Crowbar activation adversely makes DFIGs lose controllability and absorb reactive power. The second contribution is the development of a software-defined CFM controller and a controller in-the-loop demonstration of the real-time performance of this optimization-based CFM. CFM capitalizes on distributed optimization formulation to enable flexibility, plug-and-play, and privacy-preserving. Computation time, however, is a major concern for optimization-based dynamics control. Here, real-time controller-in-the-loop simulation results show optimization-based CFM can output reference values around 60 ms and is quick enough for dynamic control.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Redox Mediated Control of Electrochemical Potential in Liquid Cell Electron Microscopy

Liquid cell electron microscopy enables the study of nanoscale transformations in solvents with high spatial and temporal resolution, but for the technique to achieve its potential requires a new level of control over the reactivity caused by radical generation under electron beam irradiation. An understanding of how to control electron-solvent interactions is needed to further advance the study of structural dynamics for complex materials at the nanoscale. Additionally, we developed an approach that scavenges radicals with redox species that form well-defined redox couples and control the electrochemical potential in situ . This approach enables the observation of electrochemical structural dynamics at near-atomic resolution with precise control of the liquid environment. Analysis of nanocrystal etching trajectories indicates that this approach can be generalized to several chemical systems. The ability to simultaneously observe heterogeneous reactions at near-atomic resolution and precisely control the electrochemical potential enables the fundamental study of complex nanoscale dynamics with unprecedented detail.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Integrated Coordination of Voltage Regulators with Distributed Cooperative Inverter Control in Systems with High Penetration of DGs

Increased penetration of distributed generation (DG) in recent years has a significant impact on operation and control of power systems. One of the main issues with the increased penetration of DGs is the effect of voltage rise. This paper investigates integration of coordinated voltage regulator (VRs) operation with cooperative distributed inverter control to maintain voltages in appropriate limits in distribution systems with high penetration of DGs. The coordinated VR control is used to optimize the settings of multiple nested VRs while the cooperative distributed control optimally dispatches reactive power of the DGs. The integrated approach is compared with the case without coordinated VRs control (uncoordinated local control). Simulation results illustrate the effective performance of the proposed method to achieve unified voltage profile.

coordinated voltage regulator control↗
DOE OSTI2025

Insights for controlling plutonium behavior in hydrochloric acid solutions

Cyclic voltammetry, UV-vis, and X-ray absorption spectroscopy were used to demonstrate that aqueous plutonium coordination chemistry and electron transfer reactivity can be controlled by judicious manipulation of hydrochloric acid concentrations.

Wang, Yufei [Los Alamos National Laboratory, Los A↗
DOE OSTI2021

Direct Aerobic Generation of a Ferric Hydroperoxo Intermediate Via a Preorganized Secondary Coordination Sphere

Enzymes exert control over the reactivity of metal centers with precise tuning of the secondary coordination sphere of active sites. One particularly elegant illustration of this principle is in the controlled delivery of proton and electron equivalents in order to activate abundant but kinetically inert oxidants such as O 2 for oxidative chemistry. Chemists have drawn inspiration from biology in designing molecular systems where the secondary coordination sphere can shuttle protons or electrons to substrates. However, a biomimetic activation of O 2 requires the transfer of both protons and electrons, and molecular systems where ancillary ligands are designed to provide both of these equivalents are comparatively rare. Here, we report the use of a dihydrazonopyrrole (DHP) ligand complexed to Fe to perform exactly such a biomimetic activation of O 2 . In the presence of O 2 , this complex directly generates a high spin Fe(III)-hydroperoxo intermediate which features a DHP• ligand radical via ligand-based transfer of an H atom. This system displays oxidative reactivity and ultimately releases hydrogen peroxide, providing insight on how secondary coordination sphere interactions influence the evolution of oxidizing intermediates in Fe-mediated aerobic oxidations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗