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DOE OSTI2023

Fast and Non‐equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals

Abstract We report for the first time that Pd nanocrystals can absorb H via a “single‐phase pathway” when particles with a proper combination of shape and size are used. Specifically, when Pd icosahedral nanocrystals of 7‐ and 12‐nm in size are exposed to H atoms, the H‐saturated twin boundaries can divide each particle into 20 smaller single‐crystal units in which the formation of phase boundaries is no longer favored. As such, absorption of H atoms is dominated by the single‐phase pathway and one can readily obtain PdH x with anyx in the range of 0–0.7. When switched to Pd octahedral nanocrystals, the single‐phase pathway is only observed for particles of 7 nm in size. We also establish that the H‐absorption kinetics will be accelerated if there is a tensile strain in the nanocrystals due to the increase in lattice spacing. Besides the unique H‐absorption behaviors, the PdH x (x=0–0.7) icosahedral nanocrystals show remarkable thermal and catalytic stability toward the formic acid oxidation due tothe decrease in chemical potential for H atoms in a Pd lattice under tensile strain.

Chemistry↗

DOE OSTI2025

Biochemical properties of glycerol kinase from the hypersaline-adapted archaeon Haloferax volcanii

ABSTRACT Extremophilic microorganisms are promising candidates for industrial and analytical biocatalysis.Haloferax volcanii, a halophilic archaeon that prefers glycerol over glucose, channels this substrate into central metabolism through glycerol kinase (GK). Here, we report the biochemical properties ofH. volcaniiGK and its potential for biotechnological applications. An N-terminal His-tagged GK was functionalin vivoand yielded 3 mg/L culture—4.5 times more enzyme than a C-terminal StrepII-tagged version. Size exclusion chromatography revealed a glycerol-induced oligomeric shift from homodimer to a dimer-dominant state with detectable tetramer. The purified enzyme showed robust activity across broad pH and salinity ranges, with optimal activity at 100 mM NaCl and 50°C–60°C. It retained catalytic activity in 5%–10% dimethyl sulfoxide (DMSO) and crude glycerol containing methanol. His-GK was freeze-thaw stable and thermotolerant in 2 M NaCl buffers. In the absence of ligands, the enzyme’s melting temperature (T m ) was 80°C. Glycerol increased the T m to 85°C, and combinations with MgCl₂ (84°C) or ATP (88°C) provided further stabilization. The highest T m (89°C) occurred with all three ligands, suggesting a cumulative stabilizing effect. Kinetic analyses revealed positive cooperativity for glycerol, ATP, and Mg² + ; Mn² + and Co² + also supported the activity.H. volcaniiGK is the first known GK to exhibit positive cooperativity with glycerol and ATP. Its high stability and substrate flexibility support its use in biodiesel waste valorization,in vitrobiocatalysis, and biosensor development—applications demanding robust, specific, and stable enzymes. IMPORTANCE This study reveals thatH. volcaniiGK exhibits positive cooperativity for glycerol, ATP, and Mg² + , a kinetic feature not previously reported for glycerol kinases. This behavior enables steep, switch-like responses to small substrate changes, offering unique advantages for biosensor design. Importantly,H. volcaniiGK also maintains high activity under extreme salinity, temperature, broad pH, and solvent conditions that typically limit enzyme use in industrial and environmental applications. These traits make this GK an ideal candidate for enzyme-based biosensors, which often suffer from poor tolerance to pH, solvent, and thermal stress. Its robustness supports its use in cross-linked enzyme crystals, an immobilization method that enhances enzyme stability and reusability under harsh conditions. Moreover, GKs are already employed in Mg² + detection kits; however,H. volcaniiGK’s ability to tolerate and respond to diverse divalent cations (e.g., Co² + , Mn² + ) broadens their potential for pollutant detection and environmental monitoring. These features collectively positionH. volcaniiGK as a valuable biocatalyst for biosensing,in vitrodiagnostics, and biotechnological applications requiring both precision and durability.

Biotechnology & Applied Microbiology↗

NASA NTRS2004

Stirling Engine Controller

Stirling technology is being developed to replace RTG s (Radioisotope Thermoelectric Generators), more specifically a stirling convertor, which is a stirling engine coupled to a linear alternator. Over the past three decades, the stirling engine has been designed to perform different functions. Stirling convertors have been designed to decrease fuel consumption in automobiles. They have also been designed for terrestrial and space applications. Currently NASA Glenn is using the convertor for space based applications. A stiring converter is a better means of power for deep space mission and "dusty" mission, like the Mars Rovers, than solar panels because it is not affected by dust. Spirit and Opportunity, two Mars rovers currently navigating the planet, are losing their ability to generate electricity because dust is collecting on their solar panels. Opportunity is losing more energy because its robotic arm has a heater with a switch that can not be turned off. The heater is not needed at night, but yet still runs. This generates a greater loss of electricity and in turn diminishes the performance of the rover. The stirling cycle has the potential to provide very efficient conversion of heat energy to electric a1 energy, more so than RTG's. The stirling engine converts the thermal energy produced by the decaying radioisotope to mechanical energy; the linear alternator converts this into electricity. convertor. Since the early 1990's tests have been performed to maximize the efficiency of the stirling converter. Many months, even years, are dedicated to preparing and performing tests. Currently, two stirling convertors #'s 13 and 14, which were developed by Stirling Technology Company, are on an extended operation test. As of June 7th, the two convertors reached 7,500 hours each of operation. Before the convertors could run unattended, many safety precautions had to be examined. So, special instrumentation and circuits were developed to detect off nominal conditions and also safely shutdown the engines. The test will last for a period of 8000 to 9000 hours. Other types of tests that have been performed are: performance mapping, controller development, launch environment, and vibration emissions testing. Currently, the thermo-mechanical system branch is housing a RG-350, a stirling convertor. The convertor was used in previous tests such as a Hall Thruster test, world s first integrated test of a dynamic power system with electric propulsion. Another test performed was to conclude if free piston stirling convertors can be synchronized for vibration balancing, with no thermodynamic or electrical connections and not cause both to shutdown if one failed. The ability to reduce vibration by synchronizing convertor operation but still be able to operate when one partner fails is pertinent in space and terrestrial applications. The convertor is now being brought back into operation and a controller is in the process of being developed. This convertor will be used as a testbed for new controllers. I worked with Mary Ellen Roth on the electric engineering aspects of the RG-350. My main goal was to enhance the data collection process. I worked on different aspects of the RG-350, with a main focus on the engine controller. I drew a schematic of the wire connections in the engine controller, using PCB Express, so that a plan could be devised to connect the power meter properly between the output of the engine and the engine controller. I measured the power using two different instruments: Valhalla Scientific power meter and Ohio Semitronics power measurement device. The convertor is connected to an Agilent 34970A Data Acquisition/Switch Unit, which allows the user to measure, record, and monitor voltage, current, frequency, and temperature. I assisted in preparing the Data Acquisition for general operation. I also helped test a panel of transducers, which will be placed in the rack that powers and monitors the convertor.

Blaze, Gina M.↗

DOE OSTI2020

A caloritronics-based Mott neuristor

Abstract Machine learning imitates the basic features of biological neural networks at a software level. A strong effort is currently being made to mimic neurons and synapses with hardware components, an approach known as neuromorphic computing. While recent advances in resistive switching have provided a path to emulate synapses at the 10 nm scale, a scalable neuron analogue is yet to be found. Here, we show how heat transfer can be utilized to mimic neuron functionalities in Mott nanodevices. We use the Joule heating created by current spikes to trigger the insulator-to-metal transition in a biased VO 2 nanogap. We show that thermal dynamics allow the implementation of the basic neuron functionalities: activity, leaky integrate-and-fire, volatility and rate coding. This approach could enable neuromorphic hardware to take full advantage of the rapid advances in memristive synapses, allowing for much denser and complex neural networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2003

High-Energy Two-Stage Pulsed Plasma Thruster

A high-energy (28 kJ per pulse) two-stage pulsed plasma thruster (MSFC PPT-1) has been constructed and tested. The motivation of this project is to develop a high power (approximately 500 kW), high specific impulse (approximately 10000 s), highly efficient (greater than 50%) thruster for use as primary propulsion in a high power nuclear electric propulsion system. PPT-1 was designed to overcome four negative characteristics which have detracted from the utility of pulsed plasma thrusters: poor electrical efficiency, poor propellant utilization efficiency, electrode erosion, and reliability issues associated with the use of high speed gas valves and high current switches. Traditional PPTs have been plagued with poor efficiency because they have not been operated in a plasma regime that fully exploits the potential benefits of pulsed plasma acceleration by electromagnetic forces. PPTs have generally been used to accelerate low-density plasmas with long current pulses. Operation of thrusters in this plasma regime allows for the development of certain undesirable particle-kinetic effects, such as Hall effect-induced current sheet canting. PPT-1 was designed to propel a highly collisional, dense plasma that has more fluid-like properties and, hence, is more effectively pushed by a magnetic field. The high-density plasma loading into the second stage of the accelerator is achieved through the use of a dense plasma injector (first stage). The injector produces a thermal plasma, derived from a molten lithium propellant feed system, which is subsequently accelerated by the second stage using mega-amp level currents, which eject the plasma at a speed on the order of 100 kilometers per second. Traditional PPTs also suffer from dynamic efficiency losses associated with snowplow loading of distributed neutral propellant. The twostage scheme used in PPT-I allows the propellant to be loaded in a manner which more closely approximates the optimal slug loading. Lithium propellant was chosen to test whether or not the reduced electrode erosion found in the Lithium Lorentz Force Accelerator (LiLFA) could also be realized in a pulsed plasma thruster. The use of the molten lithium dense plasma injector also eliminates the need for a gas valve and electrical switch; the injector design fulfills both roles, and uses no moving parts to provide, in principle, a highly reliable propellant feed and electrical switching system. Experimental results reported in this paper include: second-stage current traces, high-speed photographic and holographic imaging of the thruster exit plume, and internal mapping of the discharge chamber magnetic field from B-dot probe data. The magnetic field data is used to create a two-dimensional description of the evolution of the current sheet inside the thruster.

Markusic, Tom↗

DOE OSTI2022

Third harmonic characterization of antiferromagnetic heterostructures

Abstract Electrical switching of antiferromagnets is an exciting recent development in spintronics, which promises active antiferromagnetic devices with high speed and low energy cost. In this emerging field, there is an active debate about the mechanisms of current-driven switching of antiferromagnets. For heavy-metal/ferromagnet systems, harmonic characterization is a powerful tool to quantify current-induced spin-orbit torques and spin Seebeck effect and elucidate current-induced switching. However, harmonic measurement of spin-orbit torques has never been verified in antiferromagnetic heterostructures. Here, we report harmonic measurements in Pt/ α -Fe 2 O 3 bilayers, which are explained by our modeling of higher-order harmonic voltages. As compared with ferromagnetic heterostructures where all current-induced effects appear in the second harmonic signals, the damping-like torque and thermally-induced magnetoelastic effect contributions in Pt/ α -Fe 2 O 3 emerge in the third harmonic voltage. Our results provide a new path to probe the current-induced magnetization dynamics in antiferromagnets, promoting the application of antiferromagnetic spintronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Metallofullerene photoswitches driven by photoinduced fullerene-to-metal electron transfer

We report on the discovery and detailed exploration of the unconventional photo-switching mechanism in metallofullerenes, in which the energy of the photon absorbed by the carbon cage π-system is transformed to mechanical motion of the endohedral cluster accompanied by accumulation of spin density on the metal atoms. Comprehensive photophysical and electron paramagnetic resonance (EPR) studies augmented by theoretical modelling are performed to address the phenomenon of the light-induced photo-switching and triplet state spin dynamics in a series of Y x Sc 3-x N@C 80 (x = 0–3) nitride clusterfullerenes. Variable temperature and time-resolved photoluminescence studies revealed a strong dependence of their photophysical properties on the number of Sc atoms in the cluster. All molecules in the series exhibit temperature-dependent luminescence assigned to the near-infrared thermally-activated delayed fluorescence (TADF) and phosphorescence. The emission wavelengths and Stokes shift increase systematically with the number of Sc atoms in the endohedral cluster, whereas the triplet state lifetime and S 1 –T 1 gap decrease in this row. For Sc 3 N@C 80 , we also applied photoelectron spectroscopy to obtain the triplet state energy as well as the electron affinity. Spin distribution and dynamics in the triplet states are then studied by light-induced pulsed EPR and ENDOR spectroscopies. The spin–lattice relaxation times and triplet state lifetimes are determined from the temporal evolution of the electron spin echo after the laser pulse. Well resolved ENDOR spectra of triplets with a rich structure caused by the hyperfine and quadrupolar interactions with 14 N, 45 Sc, and 89 Y nuclear spins are obtained. The systematic increase of the metal contribution to the triplet spin density from Y 3 N to Sc 3 N found in the ENDOR study points to a substantial fullerene-to-metal charge transfer in the excited state. These experimental results are rationalized with the help of ground-state and time-dependent DFT calculations, which revealed a substantial variation of the endohedral cluster position in the photoexcited states driven by the predisposition of Sc atoms to maximize their spin population.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Reliable, High Power Density Inverters for Heavy Equipment Applications

With this final report, the combined team of the University of Arkansas (UA), University of Illinois, Urbana-Champaign (UIUC), Wolfspeed, Caterpillar, and Ampaire have successfully met all of their project objectives. Noteworthy for the heavy equipment portion of the project with Caterpillar is that the team made its project milestones two years into the project by designing a power dense motor drive for a permanent magnet synchronous machine. Upon finding out that Caterpillar had pivoted to switched-reluctance machines (SRMs), the team subsequently redesigned and implemented the SRM drive with a coolant temperature of 105°C! The other major task that the UA, UIUC, and Wolfspeed teams took on was the design of a PMSM drive for a hybrid aircraft that was flown on Feb. 20, 2023 by Ampaire after extensive testing and evaluation. While there were also technical objectives in thermal management, integrated gate drivers, reliability studies, and high temperature capacitors with integrated bussing, each of these have been fully reported on in quarterly reports. In brief, advances in thermal management and high temperature capacitors were utilized in order to achieve a 105°C motor drive. The integrated gate driver work resulted in a higher density drive with no loss of efficiency. Most of the last year, during a no-cost extension, was spent waiting for the Ampaire motor drive to be tested (outside of our project). Many months passed with the device just sitting in California while the company dealt with battery-related issues. This delayed the integration and testing activities until Fall 2022. Once those began, then the process took about 4-5 months to complete culminating in the test flight in Feb. 2023. By providing technical advances and integration into final platforms, the barrier to economic impact has been lowered. This project benefits the public by overcoming key technical barriers to electrified and hybrid electric heavy equipment and aircraft. This, in turn, leads to lower greenhouse gas emissions and a cleaner environment. This final report summarizes the integrated gate driver work and the Ampaire hybrid electric aircraft integration and test flight efforts. All other information has been previously reported in quarterly reports. A summary of the motor drives created during this project is provided along with a listing of publications.

42 ENGINEERING↗

DOE OSTI2022

Observation of conformational dynamics in single light-harvesting proteins from cryptophyte algae

Photosynthetic organisms use pigment–protein complexes to capture the sunlight that powers most life on earth. Within these complexes, the position of the embedded pigments is all optimized for light harvesting. At the same time, the protein scaffold undergoes thermal fluctuations that vary the structure, and, thus, photophysics, of the complexes. While these variations are averaged out in ensemble measurements, single-molecule spectroscopy provides the ability to probe these conformational changes. We used single-molecule fluorescence spectroscopy to identify the photophysical substates reflective of distinct conformations and the associated conformational dynamics in phycoerythrin 545 (PE545), a pigment–protein complex from cryptophyte algae. Rapid switching between photophysical states was observed, indicating that ensemble measurements average over a conformational equilibrium. A highly quenched conformation was also identified, and its population increased under high light. This discovery establishes that PE545 has the characteristics to serve as a photoprotective site. Finally, unlike homologous proteins from the evolutionarily related cyanobacteria and red algae, quenching was not observed upon photobleaching, which may allow for robust photophysics without the need for rapid repair or replacement machinery. Collectively, these observations establish the presence of a rich and robust set of conformational states of PE545. Cryptophytes exhibit particularly diverse energetics owing to the variety of microenvironments in which they survive, and the conformational states and dynamics reported here may provide photophysical flexibility that contributes to their remarkable ability to flourish under diverse conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Nanosecond Structural Dynamics during Electrical Melting of Charge Density Waves in 1⁢T-TaS 2

Electrical control of charge density waves has been of immense interest, as the strong underlying electron-lattice interactions potentially open new, efficient pathways for manipulating their ordering and, consequently, their electronic properties. However, the transition mechanisms are often unclear as electric field, current, carrier injection, heat, and strain can all contribute and play varying roles across length scales and timescales. Here, we provide insight on how electrical stimulation melts the room temperature charge density wave order in 1T-TaS 2 by visualizing the atomic and mesoscopic structural dynamics from quasistatic to nanosecond pulsed melting. Using a newly developed ultrafast electron microscope setup with electrical stimulation, we reveal the order and strain dynamics during voltage pulses as short as 20 ns. The order parameter dynamics across a range of pulse amplitudes and durations support a thermally driven mechanism even for fields as high as 19 kV cm -1 . In addition, time-resolved imaging reveals a heterogeneous, mesoscopic strain response across the flake, including MHz-scale acoustic resonances that emerge during sufficiently short pulsed excitation which may modulate the order. In conclusion, these results suggest that metallic charge density wave phases like studied here may be more robust to electronic switching pathways than insulating ones, motivating further investigations at higher fields and currents in this and other related systems.

36 MATERIALS SCIENCE↗

NASA NTRS1978

Radiometer system to map the cosmic background radiation

A 33-GHz airborne radiometer system has been developed to map large angular scale variations in the temperature of the 3 K cosmic background radiation. A ferrite circulator switches a room-temperature mixer between two antennas pointing 60 deg apart in the sky. In 40 min of observing, the radiometer can measure the anisotropy of the microwave background with an accuracy of plus or minus 1 mK rms, or about 1 part in 3000 of 3 K. The apparatus is flown in a U-2 jet to 20 km altitude where 33-GHz thermal microwave emission from the atmosphere is at a low level. A second radiometer, tuned to 54 GHz near oxygen emission lines, monitors spurious signals from residual atmospheric radiation. The antennas, which have an extremely low side-lobe response of less than -65 dB past 60 deg, reject anisotropic radiation from the earth's surface. Periodic interchange of the antenna positions and reversal of the aircraft's flight direction cancel equipment-based imbalances. The system has been operated successfully in U-2 aircraft flown from NASA-Ames at Moffett Field, Calif.

Gorenstein, M. V.↗

NASA NTRS2007

Microstrip Antenna Arrays on Multilayer LCP Substrates

A research and development effort now underway is directed toward satisfying requirements for a new type of relatively inexpensive, lightweight, microwave antenna array and associated circuitry packaged in a thin, flexible sheet that can readily be mounted on a curved or flat rigid or semi-rigid surface. A representative package of this type consists of microwave antenna circuitry embedded in and/or on a multilayer liquid- crystal polymer (LCP) substrate. The circuitry typically includes an array of printed metal microstrip patch antenna elements and their feedlines on one or more of the LCP layer(s). The circuitry can also include such components as electrostatically actuated microelectromechanical systems (MEMS) switches for connecting and disconnecting antenna elements and feedlines. In addition, the circuitry can include switchable phase shifters described below. LCPs were chosen over other flexible substrate materials because they have properties that are especially attractive for high-performance microwave applications. These properties include low permittivity, low loss tangent, low water-absorption coefficient, and low cost. By means of heat treatments, their coefficients of thermal expansion can be tailored to make them more amenable to integration into packages that include other materials. The nature of the flexibility of LCPs is such that large LCP sheets containing antenna arrays can be rolled up, then later easily unrolled and deployed. Figure 1 depicts a prototype three- LCP-layer package containing two four-element, dual-polarization microstrip-patch arrays: one for a frequency of 14 GHz, the other for a frequency of 35 GHz. The 35-GHz patches are embedded on top surface of the middle [15-mil (approx.0.13-mm)-thick] LCP layer; the 14- GHz patches are placed on the top surface of the upper [9-mil (approx. 0.23-mm)-thick] LCP layer. The particular choice of LCP layer thicknesses was made on the basis of extensive analysis of the effects of the thicknesses on cross-polarization levels, bandwidth, and efficiency at each frequency.

Thompson, Dane↗

NASA NTRSDate not supplied

Engine Cycle Comparison for Alternative Propellant Nuclear Thermal Propulsion Engines

A modular Nuclear Thermal Propulsion (NTP) engine modeling suite was coded in Simulink to analyze various engine cycle configurations and propellants. This model was validated and used for previous studies involving alternative propellants for NTP engines. The current study compared hydrogen-based NTP (H-NTP) with ammonia-based Alternative propellant NTP (A-NTP) engines with expander and bleed cycle configurations. Based on prior work, the bleed cycle configuration was modified to yield a feasible result. The assumption that was made was that the Testing Reference Design (TRD) reactor will be used for all cases and that the difference in fuel loading fractions will be enough to offset any differences in the neutronics caused by switching the propellant. This work provided and compared propellant state points throughout the cycles as well as the key performance parameters. The conclusion was that bleed cycles for H-NTP engines are advantageous over expander cycles in terms of maximum system pressure, cycle simplicity, and potentially engine mass. Conversely, expander cycles are more advantageous for A-NTP engines according to the same scope of parameters. Future work will analyze reactor designs that are different from the TRD and use neutronics software integrated with the X-NTP model to provide higher fidelity results.

Nuclear↗

NASA NTRSDate not supplied

Updating the Thermal Vacuum Chambers at the NASA Johnson Space Center

Chambers A and B are two large thermal vacuum chambers at Johnson Space Center which enable space simulation for unmanned and human-rated missions, respectively. With the resurgence in deep space missions for scientific research and various private commercial ventures, these chambers are expected to be used frequently for at least the next decade. For qualifying the James Webb Space Telescope, upgrades to Chamber A were performed which included the addition of a 12.5 kW refrigeration system with helium shrouds capable of simulating deep space environment and an efficient and reliable LN2 natural flow thermosiphon system for the thermal shield. Continuous improvements since then have focused on ensuring operational readiness by modernizing the data acquisition, recording, controls, and visualization systems for both chambers and clean room. These upgrades will be the focus of this paper. Controlling the Cryochambers was enhanced by moving from a 32-bit SCADA system to a 64-bit architected system. Infrastructural changes involved installing redundant power circuits, adding new servers, network switches, and including load balancing with fail-over between servers to minimize downtime. Instead of distributed servers, 3 redundant servers are used to share configurations. Configurations are now kept in a shared SQL instance making it easy to deploy and maintain. During this upgrade process many sub-systems (PLCs and NI PXI interfaces to sensors) were upgraded from the prior OPC-DA to the more secure OPC-UA protocol. Cryo-system PLCs were updated to allow Ganni cycle floating pressure calculations from any cold box to be sent to any compressor. During the project, the team recreated over 70,000 live data points, 50000 historical data points, and 4000 alarms. Finally, the graphical interfaces were upgraded to support HTML 5 in conjunction shared pages were implemented reducing the total number of webpages by over 75%. These system updates reinvigorated the previous SCADA system which had reached its end of life. The same look and feel was maintained while providing operators with an updated interface to control, troubleshoot, and record. The new system architecture is more robust and easier to maintain creating a path forward to address remaining problem points and implement additional features.

Cody Schaefer↗

NASA NTRSDate not supplied

Updating the Thermal Vacuum Chambers at the NASA Johnson Space Center

Cody Schaefer↗

DOE OSTI2021

Numerical Analysis of Fuel Effects on Advanced Compression Ignition Using a Cooperative Fuel Research Engine Computational Fluid Dynamics Model

Growing environmental concerns and demand for a better fuel economy are driving forces that motivate the research for more advanced engines. Multi-mode combustion strategies have gained attention for their potential to provide high thermal efficiency and low emissions for light-duty applications. These strategies target optimizing the engine performance by correlating different combustion modes to load operating conditions. The extension from boosted spark ignition (SI) mode at high loads to advanced compression ignition (ACI) mode at low loads can be achieved by increasing the compression ratio and utilizing intake air heating. Further, in order to enable an accurate control of intake charge condition for ACI mode and rapid mode-switches, it is essential to gain fundamental insights into the autoignition process. Within the scope of ACI, homogeneous charge compression ignition (HCCI) mode is of significant interest. It is known for its potential benefits, operation at low fuel consumption, low NOx, and particulate matter (PM) emissions. In the present work, a virtual Cooperative Fuel Research (CFR) engine model is used to analyze fuel effects on ACI combustion. In particular, the effect of fuel octane sensitivity (S) (at constant Research Octane Number (RON)) on autoignition propensity is assessed under beyond-RON (BRON) and beyond-MON (BMON) ACI conditions. The three-dimensional CFR engine computational fluid dynamics (CFD) model employs a finite-rate chemistry approach with a multi-zone binning strategy to capture autoignition. Two binary blends with Research Octane Number (RON) of 90 are chosen for this study: primary reference fuel (PRF) with S = 0 and toluene–heptane (TH) blend with S = 10.8, representing paraffinic and aromatic gasoline surrogates. Reduced mechanisms for these blends are generated from a detailed gasoline surrogate kinetic mechanism. Simulation results with the reduced mechanisms are validated against experimental data from an in-house CFR engine, with respect to in-cylinder pressure, heat release rate, and combustion phasing. Thereafter, the sensitivity of combustion behavior to ACI operating condition (BRON versus BMON), air-fuel ratio (λ = 2 and 3), and engine speed (600 and 900 rpm) is analyzed for both fuels. It is shown that the sensitivity of a fuel’s autoignition characteristics to λ and engine speed significantly differs at BRON and BMON conditions. Moreover, this sensitivity is found to vary among fuels, despite the same RON. It is also observed that the presence of low-temperature heat release (LTHR) under BRON condition leads to more sequential autoignition and longer combustion duration than BMON condition. Finally, the study indicates that the octane index (OI) fails to capture the trend in the variation of autoignition propensity with S under the BMON condition.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Assembly of Close–Packed Ferroelectric Polymer Nanowires via Interface–Epitaxy with ReS 2

The flexible, transparent, and low-weight nature of ferroelectric polymers makes them promising for wearable electronic and optical applications. To reach the full potential of the polarization-enabled device functionalities, large-scale fabrication of polymer thin films with well-controlled polar directions is called for, which remains a central challenge. The widely exploited Langmuir–Blodgett, spin-coating, and electrospinning methods only yield polymorphous or polycrystalline films, where the net polarization is compromised. Here, an easily scalable approach is reported to achieve poly(vinylidene fluoride-trifluoroethylene) P(VDF-TrFE) thin films composed of close-packed crystalline nanowires via interface-epitaxy with 1T'-ReS 2 . Upon controlled thermal treatment, uniform P(VDF-TrFE) films restructure into about 10 and 35 nm-wide (010)-oriented nanowires that are crystallographically aligned with the underlying ReS 2 , as revealed by high-resolution transmission electron microscopy. Piezoresponse force microscopy studies confirm the out-of-plane polar axis of the nanowire films and reveal coercive voltages as low as 0.1 V. Reversing the polarization can induce a conductance switching ratio of >10 8 in bilayer ReS 2 , over six orders of magnitude higher than that achieved by an untreated polymer gate. Lastly, this study points to a cost-effective route to large-scale processing of high-performance ferroelectric polymer thin films for flexible energy-efficient nanoelectronics.

crystalline nanowires↗

DOE OSTI2022

A 75 kVA Intelligent Power Stages (IPS) Unit Design for Future Grid-interface Application

The demand for grid-interface converter with flexible dc bus is driven by the fast development of energy storage system (ESS), electric vehicle (EV) charging system, and versatile residential load. This paper first proposes a two-stage intelligent power stage (IPS) unit for future grid-interface applications. To achieve zero common-mode (CM) voltage emissions, step-up and step-down voltage gain, a 3-level four-switch buck-boost (3-L FSBB) dc-dc converter is adopted with fully zero voltage switching (ZVS). In one IPS unit, an advanced fiberoptic communication with sub-nanosecond synchronization is developed for different enhanced gate drivers. Moreover, an enhanced gate driver integrated current and voltage sensors is designed for monitoring and diagnostics. To achieve a whole low-profile design, three 12 oz heavy copper planar ac inductors are designed and implemented. Finally, a 75 kVA IPS unit was built to verify both the thermal and electrical design.

Cao, Yuliang↗