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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

From classical to quantum dynamics of atomic and ionic species interacting with graphene and its analogue

Graphene and its analogues offer a broad range of application opportunities for (opto)-electronics, sensing, catalysis, phase separation, energy conversion and storage, etc. Engineering graphene properties often relies on its controllable functionalization, defect formation and patterning, and reactive gas etching. In this chapter, we survey the dynamics of graphene using classical and quantum-classical dynamics methods. We discuss the reactivity, scattering, and transmission of atomic and ionic species including Ar cluster ion, H/D, and H+/D+ on graphene flakes of various sizes, focusing on the atomic-scale motion and energy dissipation pathways involved in forming and breaking covalent bonding. Discussions on the nuclear quantum effects of light species, the effects of isotopic substitution, and the methodologies for such modeling are also included.

Garashchuk, Sofiya V.↗
DOE OSTI2025

External perturbation-driven Sabatier breakthrough

The Sabatier reaction (CO 2 + 4H 2 → CH 4 + 2H 2 O) is gaining renewed interest due to its potential to reduce energy carrier storage costs, serve as a feedstock for various organic chemicals, and supply in-situ propellant and life-support resources for long-duration Mars missions. This study demonstrates that combining a modest 2 mA electric field with H 2 feed modulation markedly elevates the CO 2 hydrogenation activity of 2 wt% Ru/CeO 2 catalyst. CO 2 conversion reaches 88 % and 93 % with a CH 4 yield of 83 % and 89 % at 350 °C and 450 °C, respectively. A simple lumped kinetic model reveals that the combined external perturbations not only shift the reaction mechanism but also redistribute key surface-adsorbed intermediates such as hydrogen adatoms and hydrogen-activated CO 2 among the Ru clusters, Ru/CeO 2 interface, and ceria surface. The electric field accelerates the conversion of adsorbed CO 2 to the hydrogenated CO 2 species on Ru and boosts CH 4 formation rate constant, while simultaneously suppresses the formation of undesired, non-reactive surface intermediates. Degree-of-rate-control analysis pinpoints proton migration across the metal-support interface as the decisive lever under these coupled perturbations. In conclusion, these findings establish that rational pairing of metal-support design with well-tuned electric fields and feed oscillations can unlock unprecedented Sabatier rates, guiding the development of next-generation reactors for efficient CO 2 to CH 4 conversion.

10 - SYNTHETIC FUELS↗
DOE OSTI2021

Strategies for microgrid operation under real-world conditions

Microgrids are an increasingly relevant technology for integrating renewable energy sources into electricity systems. Based on a microgrid implementation in California, in this study we investigate microgrid operation under real-world conditions. These conditions have not yet been considered in combination and encompass energy charges, demand charges, export limits, as well as uncertainty about future electricity demand and generation in the microgrid. Under these conditions, we evaluate the performance of two frequently applied groups of strategies for microgrid operation. The first group is composed of proactive strategies that optimize decisions based on forecasts of future electricity generation and demand. The second group includes reactive strategies that make operational decisions based exclusively on the current state of the microgrid. We evaluate the performance of the strategies under varying operational parameters, forecast accuracies, and microgrid configurations—well beyond our Californian showcase. Our results confirm the expectation that proactive strategies outperform reactive ones in the majority of settings. Yet, reactive strategies can perform better under short control intervals or under moderate prediction errors of PV generation or demand. Furthermore, the interplay between real-world conditions and operational strategies reveals several additional insights for research on microgrid operation. First, we find that demand charges and export limits decisively affect microgrid performance. Second, the impact of forecast errors is highly non-linear and non-monotonous. Third, escalating negative interactions between forecast errors and demand charges make proactive strategies benefit from longer control intervals. This result is contrary to existing best practice, which promotes short control intervals to minimize the impact of uncertainty.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Coupling nitrate capture with ammonia production through bifunctional redox-electrodes

Abstract Nitrate is a ubiquitous aqueous pollutant from agricultural and industrial activities. At the same time, conversion of nitrate to ammonia provides an attractive solution for the coupled environmental and energy challenge underlying the nitrogen cycle, by valorizing a pollutant to a carbon-free energy carrier and essential chemical feedstock. Mass transport limitations are a key obstacle to the efficient conversion of nitrate to ammonia from water streams, due to the dilute concentration of nitrate. Here, we develop bifunctional electrodes that couple a nitrate-selective redox-electrosorbent (polyaniline) with an electrocatalyst (cobalt oxide) for nitrate to ammonium conversion. We demonstrate the synergistic reactive separation of nitrate through solely electrochemical control. Electrochemically-reversible nitrate uptake greater than 70 mg/g can be achieved, with electronic structure calculations and spectroscopic measurements providing insight into the underlying role of hydrogen bonding for nitrate selectivity. Using agricultural tile drainage water containing dilute nitrate (0.27 mM), we demonstrate that the bifunctional electrode can achieve a 8-fold up-concentration of nitrate, a 24-fold enhancement of ammonium production rate (108.1 ug h −1 cm −2 ), and a >10-fold enhancement in energy efficiency when compared to direct electrocatalysis in the dilute stream. Our study provides a generalized strategy for a fully electrified reaction-separation pathway for modular nitrate remediation and ammonia production.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1980

Zero-torque spanner wrench

Wrench converts gripping action of hand to rotary motion without imparting reactive moments or forces on part being turned or on operator. Wrench should be useful in undersea operations and other delicate work where reactive forces and torques have to be controlled. In design for valve tightening, tool resembles cross between conventional spanner wrench and pilers. One handle engages valve body; second handle has ratchet pawl that engages toothed coupling ring on perimeter of valve handle. When operator squeezes wrench handles, valve handle rotates with respect to valve body.

Friedell, M. V.↗
NASA NTRS2002

The NASA/Army Autonomous Rotorcraft Project

An overview of the NASA Ames Research Center Autonomous Rotorcraft Project (ARP) is presented. The project brings together several technologies to address NASA and US Army autonomous vehicle needs, including a reactive planner for mission planning and execution, control system design incorporating a detailed understanding of the platform dynamics, and health monitoring and diagnostics. A candidate reconnaissance and surveillance mission is described. The autonomous agent architecture and its application to the candidate mission are presented. Details of the vehicle hardware and software development are provided.

Whalley, M.↗
NASA NTRS1999

Effects of square-wave and simulated natural light-dark cycles on hamster circadian rhythms

Circadian rhythms of activity (Act) and body temperature (Tb) were recorded from male Syrian hamsters under square-wave (LDSq) and simulated natural (LDSN, with dawn and dusk transitions) light-dark cycles. Light intensity and data sampling were under the synchronized control of a laboratory computer. Changes in reactive and predictive onsets and offsets for the circadian rhythms of Act and Tb were examined in both lighting conditions. The reactive Act onset occurred 1.1 h earlier (P < 0.01) in LDSN than in LDSq and had a longer alpha-period (1.7 h; P < 0.05). The reactive Tb onset was 0.7 h earlier (P < 0.01) in LDSN. In LDSN, the predictive Act onset advanced by 0.3 h (P < 0.05), whereas the Tb predictive onset remained the same as in LDSq. The phase angle difference between Act and Tb predictive onsets decreased by 0.9 h (P < 0.05) in LDSN, but the offsets of both measures remained unchanged. In this study, animals exhibited different circadian entrainment characteristics under LDSq and LDSN, suggesting that gradual and abrupt transitions between light and dark may provide different temporal cues.

NASA Discipline Regulatory Physiology↗
NASA NTRS2005

Heat Pipe Reactor Dynamic Response Tests: SAFE-100 Reactor Core Prototype

The SAFE-I00a test article at the NASA Marshall Space Flight Center was used to simulate a variety of potential reactor transients; the SAFEl00a is a resistively heated, stainless-steel heat-pipe (HP)-reactor core segment, coupled to a gas-flow heat exchanger (HX). For these transients the core power was controlled by a point kinetics model with reactivity feedback based on core average temperature; the neutron generation time and the temperature feedback coefficient are provided as model inputs. This type of non-nuclear test is expected to provide reasonable approximation of reactor transient behavior because reactivity feedback is very simple in a compact fast reactor (simple, negative, and relatively monotonic temperature feedback, caused mostly by thermal expansion) and calculations show there are no significant reactivity effects associated with fluid in the HP (the worth of the entire inventory of Na in the core is .<el, so fluid movement and temperature changes will cause very minor effects). In previous SAFE-100 tests, the point kinetics model was based on core thermal expansion via deflection measurements. It was found that core deflection was a strung function of how the SAFE-100 modules were fabricated and assembled (in terms of straightness, gaps, and other tolerances). To remove the added variable of how this particular core expands as compared to a different concept, it was decided to use a temperature based feedback model (based on several thermocouples placed throughout the core).

Bragg-Sitton, Shannon M.↗
NASA NTRS2006

Dynamic Response Testing in an Electrically Heated Reactor Test Facility

Non-nuclear testing can be a valuable tool in development of a space nuclear power or propulsion system. In a non-nuclear test bed, electric heaters are used to simulate the heat from nuclear fuel. Standard testing allows one to fully assess thermal, heat transfer, and stress related attributes of a given system, but fails to demonstrate the dynamic response that would be present in an integrated, fueled reactor system. The integration of thermal hydraulic hardware tests with simulated neutronic response provides a bridge between electrically heated testing and full nuclear testing. By implementing a neutronic response model to simulate the dynamic response that would be expected in a fueled reactor system, one can better understand system integration issues, characterize integrated system response times and response characteristics, and assess potential design improvements at a relatively small fiscal investment. Initial system dynamic response testing was demonstrated on the integrated SAFE-100a heat pipe cooled, electrically heated reactor and heat exchanger hardware, utilizing a one-group solution to the point kinetics equations to simulate the expected neutronic response of the system (Bragg-Sitton, 2005). The current paper applies the same testing methodology to a direct drive gas cooled reactor system, demonstrating the applicability of the testing methodology to any reactor type and demonstrating the variation in system response characteristics in different reactor concepts. In each testing application, core power transients were controlled by a point kinetics model with reactivity feedback based on core average temperature; the neutron generation time and the temperature feedback coefficient are provided as model inputs. Although both system designs utilize a fast spectrum reactor, the method of cooling the reactor differs significantly, leading to a variable system response that can be demonstrated and assessed in a non-nuclear test facility.

Bragg-Sitton, Shannon M.↗
NASA NTRS2006

An Environmental Impact Assessment of Perfluorocarbon Thermal Working Fluid Use On Board Crewed Spacecraft

The design and operation of crewed spacecraft requires identifying and evaluating chemical compounds that may present reactivity and compatibility risks with the environmental control and life support (ECLS) system. Such risks must be understood so that appropriate design and operational controls, including specifying containment levels, can be instituted or an appropriate substitute material selected. Operational experience acquired during the International Space Station (ISS) program has found that understanding ECLS system and environmental impact presented by thermal control system working fluids is imperative to safely operating any crewed space exploration vehicle. Perfluorocarbon fluids are used as working fluids in thermal control fluid loops on board the ISS. Also, payload hardware developers have identified perfluorocarbon fluids as preferred thermal control working fluids. Interest in using perfluorocarbon fluids as thermal control system working fluids for future crewed space vehicles and outposts is high. Potential hazards associated with perfluorocarbon fluids are discussed with specific attention given to engineering assessment of ECLS system compatibility, compatibility testing results, and spacecraft environmental impact. Considerations for perfluorocarbon fluid use on crewed spacecraft and outposts are summarized.

Perry, Jay L.↗
DOE OSTI2025

Spacetime pq theory for AC and DC electric power systems

The 50/60 Hz alternating current (AC) electric power has been the standard and most flexible energy source powering our modern societies for one and a half centuries since the war of the currents: AC versus direct current (DC). A reactive power concept that was introduced at the beginning of the AC power was very useful for circuit/system analysis, design, control, optimization, and ultimately for more efficient and stable generation, transmission, distribution, and consumption. The initial reactive power theory was based on single-phase sinusoidal AC power to capture inductive and capacitive power that yields to net-zero average power over one fundamental cycle. Soon it was expanded to non-sinusoidal AC power and finally to instantaneous three-phase AC power. However, these reactive power theories remain separate and limited to special cases and have never been consolidated and made valid to all cases. Today, more widespread adoption of power electronics and renewable energy is bringing back DC power into the electric grids. The reactive power concept has never been applied to DC power systems. There is no reactive power in DC power systems according to the existing reactive power theories. Do DC power systems really have no reactive power? Capacitors and inductors are widely used in DC just like in AC power systems. Are they not reactive power components? Why are they different from their AC counterparts? Furthermore, are batteries active or reactive power components? What about active devices like power converters (or inverters) with AC (or DC) on one side and DC (or AC) on the other? Do they generate or consume reactive power? Finally, what about AC and DC hybrid power systems? How to define reactive power in such a complex power system that has a multitude of loads, buses, and sources? Is there reactive power between any two loads, any two buses, or any two sources in a power system and what is the total reactive power in such a complex power system as a whole? As the motivation and goal of this paper to answer the above basic questions, to unify the existing AC reactive power theories and to ultimately provide theoretical and insightful guidance for system analysis, design, control, efficiency, optimization, and operation of complex power systems, a concept of spacetime (both spatial and temporal) active and reactive power (pq) theory—the spatiotemporal aspect of active and reactive power—is developed for both AC and DC power systems. The theoretical definitions and physical meanings of the spacetime reactive power will be developed, and real applications and thought experiments/cases/exercises will be explored and discussed. The developed mathematics to define the active (or real) and reactive (or imaginary) power— p and q respectively by dot (scalar) and cross (vector) products of multi-dimension spacetime vectors and time-space mapping principle/law can have some fundamental implications as well.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2009

Space Toxicology: Environmental Health Considerations during Spaceflight Operations and Potential Paths for Research

Space Toxicology is a specialized discipline for spaceflight, space habitation and occupation of celestial bodies including planets, moons and asteroids [1]. Astronaut explorers face unique challenges to their health while working and living with limited resources for rescue and medical care during space operation. At its core the practice of space toxicology to identify, assess and predict potential chemical contaminants and limit the astronaut s exposure to these environmental factors in order to protect crew health. Space toxicologists are also charged with setting safe exposure limits that will protect the astronaut against a multitude of chemical exposures, in a physiologically altered state. In order to maintain sustained occupation in space, toxicological risks are gauged and managed within the context of isolation, continual exposures, reuse of air and water, limited rescue options, and the necessary use of highly toxic compounds required for propulsion. As the space program move towards human presence and exploration other celestial bodies in situ toxicological risks, such as inhalation of unusual and/or reactive mineral dusts must also be analyzed and controlled. Placing humans for long-term presence in space creates several problems and challenges to the long-term health of the crew, such as bone-loss and immunological challenges and has spurred research into acute, chronic and episodic exposure of the pulmonary system to mineral dusts [2]. NASA has demonstrated that lunar soil contains several types of reactive dusts, including an extremely fine respirable component. In order to protect astronaut health, NASA is now investigating the toxicity of this unique class of dusts. Understanding how these reactive components behave "biochemically" in a moisture-rich pulmonary environment will aid in determining how toxic these particles are to humans. The data obtained from toxicological examination of lunar dusts will determine the human risk criteria for lunar dust exposure and produce a lunar health standard.

Khan-Mayberry, Noreen N.↗
DOE OSTI2019

Characteristics of TRU Fueled SFR Core during the Transition with Partially Loaded LEU Assemblies

The fast reactor (FR) fuels typically require higher fissile content than the thermal reactor fuels because the cross sections of the fissile isotopes are smaller relative to the fertile isotopes and higher neutron leakage from the reactor core. The medium-sized high-burnup sodium-cooled fast reactors (SFRs) in the framework of uranium-plutonium/transuranic (U/Pu or U/TRU) fuel-cycle can be optimized to operate with less than 17 % of Pu/TRU content in the driver fuel while having higher TRU conversion ratios (CR~1.0) [1]. However, possible shortage or inaccessibility to TRU based fuel could be accommodated by the use of uranium-based fuels on demand such as low enriched uranium (LEU) having significantly higher 235U content than used in the commercial light water reactors (LWRs), which is defined as high-assay LEU. The reactor systems having low TRU conversion ratio are commonly categorized as burner reactors, which include LWRs and even can be achieved by FRs with designed to utilize higher TRU fractions (e.g., increased neutron leakage and lower fuel volume fractions). Such reactor systems need to be initially loaded with high excess reactivity, which decreases toward the end of cycle, in order to achieve target burnup conditions. Therefore, in order to offset the excess reactivity, neutron absorbing materials need to be inserted into the core to compensate (e.g., control rods). By reducing the neutron leakage (e.g., increasing the fuel volume fraction or thicker blankets), the TRU conversion ratio in the FR can be increased. If the TRU conversion ratio becomes 1.0 (technically slightly greater than 1.0 to account for process losses during recycle), the reactor is in the condition known as “breakeven”, in which fuel contains the same amount of fissile material after recycling that was used to fuel the reactor. In such a condition, combined with the fact that fission products do not have strong poisoning effects in FRs, the reactivity swing becomes smaller than that of burner type reactors. For breeders, the reactivity can increase toward the end of the cycle because more fissile material is produced than consumed. In this regard, the breakeven FR core is implicitly optimized in a sense by eliminating the large insertion of control elements to offset the reactivity during the normal operation. However, the breakeven condition here is assumed to be achieved only by the TRU based fuel. Possible lack of TRU based fuel needs to be compensated by available LEU resources containing equivalent amount of fissile (i.e., 235U). The use of LEU will have some impact on important safety parameters that need to be evaluated. U-235 has a higher effective delayed neutron fraction than Pu-239. Also, the number of neutrons produced by fissions per neutron absorption (i.e. ?) of 235U in the fast energy range (>1e4 eV) is lower than that of 239Pu, which may lead to the poor fissile conversion when LEU is used as a high-conversion FR fuel. The full-paper presents the study of the impact of partially loaded LEU fuels within TRU fueled breakeven SFR on the transition of nuclide evolutions and core characteristics particularly focusing on the burnup reactivity swing. The full paper analyzes how the large reactivity swing occurs during the LEU loading and addresses possible options to reduce it to the level equivalent to that of the TRU fueled SFR core.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Model predictive control for voltage restoration in microgrids using temporal logic specifications

Power system operation will encounter numerous voltage variabilities as the proliferation of renewable energy continues. Real-time monitoring and communication technologies can potentially improve voltage stability by enabling the rapid detection of voltage deviations and the implementation of corrective actions. These corrective actions will only be effective in restoring stability if they are chosen in a timely and scalable manner. This paper considers the problem of power systems’ load voltage control in order to simultaneously address both magnitude and time voltage specifications. In order to comply with grid codes and avoid unnecessary relay protection actions, a model predictive control (MPC)-based control strategy employing temporal logic specifications (TLSs) is proposed. The TLSs strategy is introduced as a formalism to control the voltage variation at a critical load bus against operational bounds over time. The control objective is to schedule optimal control input signals from the available supportive energy storage systems, which provide reactive power injections, leading to satisfying the specified finite-time restoration described by the TLSs with minimal control efforts. The simulation results display that the TLSs strategy for power systems’ voltage control synthesis is extremely significant.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Catalytic Activity of an Ensemble of Sites for CO 2 Hydrogenation to Methanol on a ZrO 2 -on-Cu Inverse Catalyst

The significant increase in CO 2 emissions from heavy fossil fuel utilization has raised serious concerns, highlighting the need for effective methods to convert CO 2 into value-added chemicals. Here, in this work, we report a computational investigation on the catalytic activity of ZrO 2 -on-Cu inverse catalysts for CO 2 hydrogenation to methanol, considering highly dispersed ZrO 2 trimers on Cu (111). Such clusters present a large ensemble of formate-containing configurations, Zr 3 O n (OH) m (OCHO) l , making the evaluation of the catalytic activity very challenging. We found that the sites on the various catalyst configurations exhibit markedly different activities for formate hydrogenation, despite their similar free energy and composition. To understand these differences in reactivity, we examined the structural and electronic nature of the low free-energy catalyst configurations and identified that the energy of the lowest unoccupied orbital of the reacting formate, modified by its binding with the catalytic site, is a descriptor for the reaction energy of the formate hydrogenation step. From there, we screened an ensemble of catalyst structures using this descriptor to predict highly active metastable catalyst configurations and computed the reaction pathways and transition states for formate hydrogenation. From this investigation, we distinguished reactive from nonreactive sites and formate species on the ZrO 2 /Cu inverse catalyst based on structural and electronic features. We showed that rare metastable configurations control the activity. Additionally, an efficient method for examining the reactivity of a large number of coexisting catalyst structures was developed.

catalysts↗
DOE OSTI2022

Simulations of Low Mach Number Reactive Flows Coupled with Electric Fields

Applying electric fields to flames can provide an effective, non-invasive control of the combustion process. In this work, an algorithm recently introduced to handle the interactions between reactive flows and an electric field is extended to handle multiple dimensions and adaptive mesh refinement (AMR), and applied to a series of laminar flames. Experimental data allows to validate the ability of the algorithm to capture the mechanisms driving the flame response to electric fields.

electric fields↗