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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Oxide Semiconductor Sensors for Monitoring Advanced Energy Conversion and Manufacturing Processes at High Temperature

To optimize the operation and functionality of high temperature systems such as slagging gasifiers, coal boilers and glass/steel smelters, it is important to monitor temperature, corrosion and erosion of the refractory used in such systems. Both thermocouple and failure sensors (and arrays of these) would be useful to monitor the health of any refractory or coatings in these systems. Many of such type of sensors are installed into the systems through open access ports within the refractory; however, there are some disadvantages of this approach where corrosive/erosive gas and molten materials can penetrate and compromise the system. The current work presents the development and performance of refractory with embedded high temperature sensors such as thermocouples, thermistors, and various spallation/crack monitoring sensors, which may be used within a variety of refractory brick in different high temperature processes and applications. The objective of our work is to develop high-temperature sensors composed of electroceramic materials that are chemically stable at high temperatures (750°-1500°C) and high pressures (up to 1000 psi) that can be used in monitoring temperature, corrosion and erosion process in refractory used in high energy systems. The high-temperature sensors investigated in this work were composed of various oxide composites directly embedded into the refractory oxides. The composites used for this work were synthesized by a mixed-oxide route. Metal oxides were inserted within a matrix material composed of refractory oxides (Al2O3, ZrO2, etc.). The physical and electrical properties were specifically manipulated by altering the level of percolation of the conductive species (metal oxides) within the refractory constituent (refractory oxide). An example of one of these embedded sensors consisted of an electroceramic-based thermocouple fabricated with two separate oxide composite compositions which were patterned to produce a couple within the interior of a refractory matrix. The thermocouple successfully displayed thermoelectric voltage trend (as a function of temperature), and the voltage was 220.0 mV near 1400 °C. In addition, corrosion tests on the refractory embedded sensors were performed. To evaluate corrosion in the refractory was exposed to high-temperature glass compositions over a 90 h period. The penetration of the glass through the refractory could be monitored by both an amperometric and voltametric based sensor. With this experiment, it was demonstrated that the embedded sensor could dynamically monitor the corrosion process, and thus, provide real-time feedback on both temperature and the refractory health.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Superposition principle and nonlinear response in spin glasses

The extended principle of superposition has been a touchstone of spin-glass dynamics for almost 30 years. Here the Uppsala group has demonstrated its validity for the metallic spin glass, CuMn, for magnetic fields H up to 10 Oe at the reduced temperature T r = T/T g = 0.95, where T g is the spin-glass condensation temperature. For H > 10 Oe, they observe a departure from linear response which they ascribe to the development of nonlinear dynamics. The thrust of this paper is to develop a microscopic origin for this behavior by focusing on the time development of the spin-glass correlation length, ξ(t, t w ; H). Here, t is the time after H changes, and t w is the time from the quench for T > T g to the working temperature T until H changes. We connect the growth of ξ(t, t w ; H) to the barrier heights Δ(t w ) that set the dynamics. The effect of H on the magnitude of Δ (t w ) is responsible for affecting differently the two dynamical protocols associated with turning H off (TRM, or thermoremanent magnetization) or on (ZFC, or zero-field-cooled magnetization). This difference is a consequence of nonlinearity based on the effect of H on Δ (t w ). Superposition is preserved if Δ(t w ) is linear in the Hamming distance Hd (proportional to the difference between the self-overlap q EA and the overlap q[Δ(t w )]). However, superposition is violated if Δ(t w ) increases faster than linear in Hd. We have previously shown, through experiment and simulation, that the barriers Δ(t w ) do increase more rapidly than linearly with Hd through the observation that the growth of ξ(t,t w ;H) slows down as ξ(t,t w ; H) increases. In this paper, we display the difference between the zero-field-cooled ξ ZFC (t, t w ; H) and the thermoremanent magnetization ξ TRM (t, t w ; H) correlation lengths as H increases, both experimentally and through numerical simulations, corresponding to the violation of the extended principle of superposition in line with the finding of the Uppsala Group.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Bright trion emission from semiconductor nanoplatelets

The trion, a quasiparticle comprising one exciton and an additional charge carrier, offers unique opportunities for generating spin-photon interfaces that can be used in developing quantum networks. Trions are also actively sought after for integrated optoelectronic devices including photovoltaics, photodetectors, and spintronics. However, formation of trions in strongly confined low-dimensional materials is often deemed detrimental. This is because trion emission in such materials is typically prohibited due to the predominant nonradiative Auger recombination processes. Semiconductor nanoplatelets with their strong confinement in the thickness direction and extended lateral geometries exhibit large exciton coherence sizes and reduced carrier-carrier interactions that may enable unprecedented trion properties. In this paper, we perform optical spectroscopic studies of individual CdSe nanoplatelets at cryogenic temperatures and observe bright trion emission with intensities comparable to that of neutral exciton emission. We perform carrier dynamics studies of the nanoplatelets and find that due to their extended lateral geometry, the fast radiative decay rate of the nanoplatelets at cryogenic temperatures is comparable to the inhibited Auger recombination rate, leading to the bright trion emission. Our tight-binding theory further reveals distinct size-tunable trion emission in the nanoplatelets that is advantageous for efficient trion emission. These properties make semiconductor nanoplatelets potential candidates as photon sources for optoelectronic and quantum logic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Command of active and responsive elastomers by topological defects and patterns

The project resulted in the development of stimuli-responsive elastomer coatings formed by photopolymerized liquid crystal molecules. The molecular orientation of the liquid crystal elastomers is coupled to rubber-like elasticity. The project developed an approach to produce complex patterns of molecular orientation in elastomers by employing photopatterning technique based on plasmonic metamasks that convert unpolarized incoming light into a transmitted light beam with spatially-varying linear polarization. The polarization-modulated light beam aligns the film of azodye molecules, which serves as the substrate for liquid crystal elastomer coating. The alignment of the azodye molecules follows the polarization pattern with a phase shift of the alignment direction by 90 degrees. The azodye substrate imposes orientation of molecules in the adjacent liquid crystal layer which is preserved after the monomers are polymerized into a liquid crystal elastomer. By using differently aligned substrates one could produce various patterns of molecular orientation in the elastomer, which dictate the mechanical properties of the elastomers and their response to external stimuli such as temperature, humidity, and ultraviolet irradiation. In particular, the predesigned molecular orientation produces deterministically defined topography response of the liquid crystal coatings, in which their free surface changes from flat to either locally elevated or locally compressed, depending on whether the pre-inscribed molecular orientation is predesigned with a splay or bend deformation. The research established that the mechanism of this deterministic relation between the dynamic topography and pre-inscribed molecular orientation is rooted in the change of the tensorial order parameter that characterizes the degree of orientational order, and in the contraction/expansion of polymer molecules in response to the order parameter changes. In particular, lowering the order causes contraction of polymer globules. The work demonstrated that the dynamic topography of elastomer coatings with three-dimensional pattern of orientational order includes up and down motion of the material (along the normal to the coating) and also shifts in lateral directions. We demonstrate that the deterministic relationship between the orientational patterns and variations of coatings’ profile is caused by forces that are mathematically equivalent to active forces in the system of “pullers” or “pushers” in active matter, demonstrating universality of the out-of-equilibrium behavior. The project resulted in theoretical models that predictively describe the dynamic response of coatings. The topography of liquid crystal elastomers is sensitive to stimuli such as temperature, ultraviolet irradiation, and humidity. The applicability of the patterned approach to produce dynamic coatings was expanded from nematic elastomers to their smectic counterparts. The project combined a battery of imaging techniques to unveil the dynamic properties of the coatings, ranging from the state-of-the-art dynamic holographic microscopy to fluorescent confocal polarizing microscopy and polscope microscopy. The research uncovered potential applications of dynamic elastomer coatings, such as control placement of colloidal particles, engineering of living tissues with alignment patterns of cells that follow the orientational order of elastomer coatings. The approach developed in the project can be used to design programmable dynamic coatings with functionalities that mimic biological tissues such as skin.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High-Temperature Gas-Cooled Reactors Multiphysics Simulation Demonstration and Code Validation

This study presents a comprehensive benchmarking and verification effort of several thermal-hydraulic and multiphysics capabilities for high-temperature gas-cooled reactor applications. The first part of this effort focuses on the running-in verification of Griffin’s multiphysics capabilities, specifically for simulating the evolution of pebble-bed reactor cores from startup to equilibrium. Since Fiscal Year 2024, improvements and enhancements have been implemented in Griffin, including simplifying the process to specify streamlines and developing the online cross-section generation capability. In the absence of validation data, code-to-code comparisons are conducted with kugelpy, showing good agreement for integral quantities like k-eff predictions and predictions for maximum power density. However, accuracy issues are noted for more detailed quantities like the spatial distribution of fission rate densities which will require further work to address. The second part of this report presents an improved System Analysis Module (SAM) core channel model where the effects of cross flow are considered during the pressurized loss of forced cooling transient, resulting in an improved agreement of the predicted pebble temperature with respect to the predictions from the SAM 2D porous media model. Additionally, the wall channeling effect due to variable porosity at the near wall region of the core is also investigated. Furthermore, to demonstrate Griffin’s online cross-section generation capability, a Multiphysics simulation is performed by coupling Griffin to the SAM core channel model. In the third part of the report, as a part of the Organisation for Economic Co-operation and Development/Nuclear Energy Agency (OECD/NEA) thermal-hydraulic code validation benchmark activity for a high-temperature gas-cooled reactor, the High Temperature Test Facility (HTTF) is investigated first using the NekRS computational fluid dynamics (CFD) code to study the flow mixing phenomenon in the lower plenum of the facility. Then, code-to-code and code-to-data comparisons are performed for Test PG27, which is a pressurized conduction cooldown (PCC) test, using five different codes by six organizations from five countries. The different simulations show good agreements in terms of the general trend but there are differences in some results such as the peak temperatures of different regions and heat removal rate.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Microstructure evolution, enhanced aging kinetics, and mechanical properties of AA7075 alloy after friction extrusion

In the present study we utilized Friction Extrusion (FE) a solid phase processing technique to produce fully consolidated dense 5 mm rods of AA7075 alloy. The combination of large shear stresses and temperatures at the tool-billet interface during the FE process resulted in the formation of dynamically recrystallized ~2.0 μm equiaxed grains and fine uniformly distributed stable η (MgZn 2 ) precipitates ~25–100 nm in size. Formation of such a microstructure resulted in lower solutionizing temperature and times (flash annealing) as compared to the conventionally extruded counterparts. Here we demonstrate for the first time that the solutionizing times for the T6 heat treatment of AA7075 can be reduced by three times using this FE process. In addition to being an energy efficient process, FE also serves to improve the performance of AA7075 alloys by retaining their strength while enhancing the ductility of the material. The tensile data for samples that were flash annealed and artificially aged after FE processing showed exceptional increase in ultimate tensile strength by over 19% and yield strength by over 59%, compared with an as-FE-processed sample.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Octahedral Distortion and Excitonic Behavior of Cs 3 Bi 2 Br 9 Halide Perovskite at Low Temperature

The metal halide ionic octahedron, represented as [MX 6 ] $n$- (M = metal cation, X = halide anion), serves as the basic structural unit in halide perovskites and plays a crucial role in determining their optoelectronic and chemical properties. Thus, it is possible to correlate the responses of metal halide perovskites to various environmental stimuli with the dynamic behaviors of the [MX 6 ] $n$- octahedra. In this study, with the temperature-dependent single-crystal X ray diffraction (SCXRD) measurements on Cs 3 Bi 2 Br 9 2D halide perovskites, we can identify two classes of distortions through the lowering of temperature: intraoctahedral distortion, which is the off-centering of Bi 3+ cation within a [BiBr 6 ] 3– octahedron due to the Bi 3+ 6s 2 lone pair electrons, and interoctahedral distortion, which is the collective misalignments among the [BiBr 6 ] 3– building blocks. Free exciton (FE) and self-trapped exciton (STE) models are used to study the relationship between the distortion of octahedra in Cs 3 Bi 2 Br 9 and the corresponding changes in its optoelectronic properties, which transform from dominating blue emission above 100 K to red emission at 4 K. In conclusion, this work provides new insights into the excitonic behaviors of perovskites and suggests a possibility that we can design and rationalize the optical properties of halide perovskites by regulating the environmental stimuli based on the knowledge of behaviors of the individual [MX 6 ] $n$- building blocks.

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

Interfacial Reactivity and Speciation Emerging from Na-Montmorillonite Interactions with Water and Formic Acid at 200 °C: Insights from Reactive Molecular Dynamics Simulations, Infrared Spectroscopy, and X-ray Scattering Measurements

Reactive organic fluid - mineral interactions at elevated temperatures contribute to the evolution of planetary matter. One of the less studied but important transformations in this regard involves the reactions of formic acid with naturally occurring clays such as sodium montmorillonite. To advance a mechanistic understanding of these interactions, we use ReaxFF reactive molecular dynamics simulations in conjunction with infrared (IR) spectroscopy and X-ray scattering experiments to investigate the speciation behavior of water-formic acid mixtures on sodium montmorillonite interfaces at 473 K and 1 atm. Using a newly developed reactive forcefield, we show that the experimental IR spectra of unreacted and reacted mixture can be accurately reproduced by ReaxFF/MD. We further benchmark the simulation predictions of sodium carbonate and bicarbonate formation in the clay interlayers using Small and Wide-Angle X-ray Scattering measurements. Subsequently, leveraging the benchmarked forcefield, we interrogate the pathway of speciation reactions with emphasis on carbonate, formate, and hydroxide groups elucidating the energetics, transition states, intermediates, and preferred products. Further, we also delineate the differences in reactivities and catalytic effects of clay edges, facets, and interlayers owing to their local chemical environments, which have far reaching consequences in their speciation behavior. The experimental and simulation approaches described in this study and the transferable forcefields can be applied translationally to advance the science of clay-fluid interactions for several applications including subsurface fluid storage and recovery and clay-pollutant dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Anomalous Hall effect at the Lifshitz transition in ZrTe 5

Zirconium pentatelluride ZrTe 5 is a topological semimetal. The presence of a temperature-induced Lifshitz transition, in which the Fermi level goes from the conduction band to the valence band with increasing temperature, provides unique opportunities to study the interplay between Fermi-surface topology, dynamics of Dirac fermions, and Berry curvature in one system. Here we present a combined experimental and theoretical study and show that a low-energy model can be used to understand the complicated Hall response and large anomalous Hall effect observed in ZrTe 5 over a wide range of temperature and magnetic field. We found that the anomalous Hall contribution dominates the Hall response in a narrow temperature window around the Lifshitz transition, away from which the orbital contribution dominates. Moreover, our results indicate that a topological phase transition coexists with the Lifshitz transition. To conclude, our model provides a unifying framework to understand the Hall effect in semimetals with large Zeeman splitting and nontrivial topology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Analysis of the time-of-flight neutron scattering cross-section data for light water measured at the SEQUOIA spectrometer, Spallation Neutron Source (SNS)

Thermal neutron scattering cross-section data for light water available in the major nuclear data libraries observes significant differences especially at reactor operating temperatures. During the past few years there has been a renewed interest in reviewing the existing thermal scattering models and generating more accurate and reliable thermal scattering cross sections using existing experimental data and in some cases based on Molecular Dynamics (MD) simulations. There is a need for performing new time-of-flight experiments at high temperatures and pressures, to have a better understanding of the physics involved in the scattering process that could help improve the existing TSL data.Lack of experimental thermal scattering data for light water at high temperatures led to a new measurement campaign within the INSIDER project at the Institut de radioprotection et de sûreté nucléaire (IRSN). Double differential scattering cross section for light water have been measured at the SEQUOIA spectrometer based at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory, United States. Several measurements have been carried out at different temperatures and pressures corresponding to liquid light water. Measurements at five different incident neutron energies Ei (8, 60, 160, 280 and 800 meV) have been carried out to help exploring different regions of the frequency spectrum. This paper presents the analysis of the dynamic structure factor and the derived frequency spectrum of light water. The analysis of the experimental data would provide one with better confidence, the behavior of thermal scattering cross sections for light water at high temperatures, knowledge of which is very important for the design of novel reactors as well as existing pressurized water reactors.

Jaiswal, V↗
DOE OSTI2021

Landau-Lifshitz-Bloch equation for ferrimagnets with higher-order interaction

In this work, we present a micromagnetic formulation for modeling the magnetization dynamics and thermal equilibrium in ferrimagnetic materials at low and elevated temperatures. The formulation is based on a mean-field approximation (MFA). In this formulation, the ferrimagnet is described micromagnetically by two coupled sublattices with corresponding interactions, including inter- and intrasublattice micromagnetic exchange as well as four-spin interactions described as an intersublattice molecular field with a cubic dependence of the magnetization. The MFA is used to derive a Landau-Lifshitz-Bloch type equation for ferrimagnetic material, including cases with a ferromagnetic-antiferromagnetic phase transitions. For validation, the results obtained via the presented model are compared with recent experimental data for phase transitions in FeRh.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Thermal-Fluid and Thermal-Structural Response of the T-Tube Modular Divertor to Spatiotemporally Varying Heat Loads

Tungsten (W) is the leading candidate for divertor target plates because of its high melting point (>3000°C), thermal conductivity, and ultimate tensile stress. While W and its alloys are the only solid materials that can survive the high heat fluxes incident on the divertor, W’s low-ductility high ductile-to-brittle transition temperature of ~600°C and relatively low recrystallization temperature (RT) of ~1300°C pose structural (among other) challenges. The objective of this work is to estimate the thermal-fluid and thermal-structural performance of the helium (He)-cooled T-tube divertor, which was originally developed by the Advanced Reactor Innovation and Evaluation Study (ARIES) using numerical simulations. Here, predictions of temperature distributions across the plasma-facing structural component and surface pressures from computational fluid dynamics simulations are used to determine stress distributions using commercial structural finite element modeling software over a range of fusion-relevant conditions. The maximum allowable incident heat fluxes are determined based on the temperature limits imposed by the ITER elastic Structural Design Criteria for In-vessel Components (SDC-IC) and the maximum RT over a range of He mass flow rates and presented in the form of performance design charts. Our recent work found that thermal- structural criteria accounting for the low ductility of W in a finger-type modular divertor constrain the maximum incident heat fluxes to values well below the ITER specifications, and those based on considering only the RT demonstrate that integrated thermal-fluid and elastic structural performance evaluation are required for accurate assessment of divertor performance. This novel analysis of the T-tube considers how nonuniform and transient incident heat fluxes affect its thermal-fluid and thermal-structural performance, as well as the effect of volumetric heating, which can be as great as 27% of the power incident on the divertor surface. The W tile of the T-tube, with its relatively large plasma-facing area of ~15 cm 2 , will likely experience significant spatial variations in incident heat flux. This work therefore assesses whether steady-state incident heat flux profiles with a peak of 10 MW/m 2 and maximum heat flux gradients of 200 MW/m 2 per m exceed the structural limits imposed by the ITER elastic SDC-IC and the maximum RT over a range of fusion-relevant conditions. The effect of transient heat fluxes typical of plasma detachment and reattachment from the target plate due, for example, to gas injection are also evaluated

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Impact of Cr and Co on 99Tc retention in magnetite: A combined study of ab initio molecular dynamics and experiments

This work explores the effect of co-mingled dopants, Co(II) and Cr(III), on Tc(IV) incorporation and retention in magnetite when heat treated to 625 or 700 °C. Key trends in Tc retention in the high temperature regime were identified using a combination of density-functional-theory based ab initio molecular dynamics (AIMD) simulations, and batch experiments including solid phase characterization techniques, e.g. X-ray absorption spectroscopy. A stabilizing effect on Tc(IV) was observed when the number of Tc and Cr atoms are equal or when the magnetite surface is oversaturated with Tc and Cr inclusions. Here, oversaturation is hypothesized to force Cr from the magnetite surface to form a Cr2O3 phase, which may act as a protective layer that prevents Tc release. With the addition of Co, Tc(IV) is stabilized via redox processes. The presence of Cr in low concentrations interferes with this redox stabilization and Cr is preferentially stabilized as opposed to Tc. As a result, using Co as a stabilizing dopant for Tc may be compromised in the presence of Cr. When the relative concentration of Tc, Cr and Co is the same, or more Co atoms are added to high Cr incorporated systems, the formation of the Cr2O3 phase may be suppressed. Although waste streams with co-mingled Tc and Cr potentially may benefit from a Co dopant, since the formation of a Cr2O3 passivation layer may protect incorporated Tc from being released, the relative concentration of the three elements will be a critical parameter for maximizing effectiveness of this strategy.

Lee, Mal Soon↗
DOE OSTI2022

Hydrogen solubility in FeSi alloy phases at high pressures and temperatures

Abstract Light elements alloying with metallic Fe can change the properties and therefore play a key role in the structure and dynamics of planetary cores. Hydrogen and silicon are possible light elements in the rocky planets’ cores. However, hydrogen storage in Fe-Si alloy systems remains unclear at high pressures and high temperatures because of experimental difficulties. Taking advantage of pulsed laser heating combined with high-energy synchrotron X-ray diffraction, we studied reactions between FeSi and H in laser-heated diamond-anvil cells (LHDACs) up to 61.9 GPa and 3500 K. We found that under H-saturated conditions the amount of H alloying with FeSi (0.3 and <0.1 wt% for the B20 and B2 structures, respectively) is much smaller than that in pure Fe metal (>1.8 wt%). Our experiments also suggest that H remains in the crystal structure of FeSi alloy when recovered to 1 bar. Further density functional theory (DFT) calculations indicate that the low-H solubility likely results from the highly distorted interstitial sites in the B20 and B2 structures, which are not favorable for H incorporation. The recovery of H in the B20 FeSi crystal structure at ambient conditions could open up possibilities to understand geochemical behaviors of H during core formation in future experiments. The low-H content in FeSi alloys suggests that if a planetary core is Si-rich, Si can limit the ingassing of H into the Fe-rich core.

Geochemistry & Geophysics↗
DOE OSTI2024

Heterogeneous Integration Technologies for High-temperature, High-density, Low-profile Power Modules of Wide Bandgap Devices in Electric Drive Applications (Final Technical Report)

The goal of this project is to develop packaging technologies for making high-temperature, high-density, and low-profile wide-bandgap (WBG) power electronics modules for electric drives. These modules are aimed at enabling the DOE’s University Consortium to reach its 2025 inverter targets of ≥ 100 kW/L and ≤ 2.7 $/kW. The specific objectives are to: design and fabricate SiC half-bridge power modules with double-sided cooling and parasitic inductances < 5 nH, heat flux density > 400 W/cm 2 , and working junction temperature of 200 o C; design, fabricate, and deliver a gate driver with double-sided cooled modules for the construction of a 100 kW/L inverter at Oak Ridge National Lab; and design and prototype intelligent gate drivers with integrated current sensor and a low-profile DC-DC power supply with air-core transformer for testing power modules at 200 o C junction temperature. We followed an iterative technical approach of design, simulation, fabrication, and testing of various versions of modules, current sensors, and power supply. The state-of-the-art silicon carbide devices rated at 1.2 kV and 149 A were packaged by sintered-silver bonding on an aluminum nitride direct-bond-copper substrate for high thermal conductivity, high working temperature, and high joint reliability. Porous silver posts were used to interconnect the device’s source pads to the other direct-bond-copper substrate for low mechanical stresses, ease of manufacturing, and double-sided cooling. A current sensor based on package parasitic inductance was developed to measure switching current. A dynamic feedback scheme was developed to compensate the effect of parasitic resistance and temperature variation. A constant-current class-E dc-dc converter with air-core transformer was developed. Air-core transformer was used due to the unavailability of magnetic core at high temperatures. Gate driver and power supply were integrated with the double-side cooled, high temperature SiC power modules for testing the modules at 200 o C junction temperature. Double-pulse and continuous testing of the integrated technologies validated the design and fabrication of the three component technologies. Throughout the project, we overcame the challenge for design verification caused by low prototyping yield, which then helped train the graduate students, the future workforce, to learn the engineering know-how for low-cost manufacturing of reliable products. Below is a summary of the major accomplishments of this project: development of a prototyping process for fabricating double-side cooled (1200 V, 149 A) SiC phase-leg modules capable of working to 200 o C Tj; simulation and experimental verification of the improvement of thermo-mechanical reliability of the double-side cooled SiC phase-leg module by using rigid encapsulant; design and experimental validation of a current sensor based on package parasitic inductance and a compensation solution for eliminating the effect of parasitic resistance; design and experimental validation of a low-profile power supply with six-output air-core transformer for gate driver; functional demonstration of a SiC phase-leg module integrated with its gate driver, current sensor, and an air-core power supply at 200 o C Tj in a double-pulse switching test setup and Buck converter continuous test setup; successful completion of six PhD and two MS students who are or will work at Apple Inc., Tesla Inc., Wolfspeed Inc., Microchip Inc., Monolithic Power Systems Inc., and LG Magna Inc.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Dynamic heterogeneity and nanophase separation in rubber-toughened amine-cured highly cross-linked polymer networks

Solid state nuclear magnetic resonance (NMR) spectroscopy and small-to wide-angle X-ray scattering (SWAXS) methods were used to characterize the heterogeneous dynamics and polymer domain structure in rubber modified thermoset materials containing the diglycidyl ether of bisphenol A (DGEBA) epoxy resin and a mixture of Jeffamine reactive rubber and 4,4-diaminodicyclohexylmethane (PACM) amine curing agent. The polymer chain dynamics and morphologies as a function of the PACM/Jeffamine ratio were determined. Using dipolar-filtered NMR experiments, the resulting networks are shown to be composed of mobile and rigid regions that are separated on nanometer length scales, along with a dynamically immobilized interface region. Proton NMR spin diffusion experiments measured the dimensions of the mobile phase to range between 9 and 66 nm and varied with the relative PACM concentration. Solid state 13 C magic angle spinning NMR experiments show that the highly mobile phase is composed entirely of the dynamically flexible polyether chains of the Jeffamine rubber, the immobilized interface region is a mixture of DGEBA, PACM, and the Jeffamine rubber, with the PACM cross-linked to DGEBA predominantly residing in the rigid phase. The SWAXS results showed compositional nanophase separation spanning the 11–77 nm range. These measurements of the nanoscale compositional and dynamic heterogeneity provide molecular level insight into the very broad and controllable glass transition temperature distributions observed for these highly cross-linked polymer networks.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Evaluation of supply air temperature control performance with different control strategies at air handling units

Due to its nonlinear feature, supply air temperature control systems at air handling units using single-loop fixed gain control frequently suffer unstable response under dynamic conditions. This paper is aimed at identifying a more effective control strategy to stabilize the valve control and achieve desirable supply air temperature response under various operation conditions by evaluating three control strategies, cascade, gain scheduling and cascade plus gain scheduling controls. Firstly, a control-oriented model is developed and calibrated through open-loop tests. Then, the control issues with single-loop fixed gain control are evaluated through simulations and field tests, which indicates that the system has more aggressive response or becomes unstable under lower load conditions when the chilled-water flow rate is less than 0.1 L/s. Finally, three control strategies are proposed and evaluated. Further, the results reveal that all three proposed controls can achieve better robustness with the integral square error of supply air temperature decreased to 16%, 47% and 5%, respectively, under lower load condition. However, since high-frequency oscillation of the control valve occurs with cascade and cascade plus gain scheduling control, the gain scheduling control is recommended considering a trade-off among the supply air temperature response, valve lifetime and implementation complexity.

42 ENGINEERING↗
DOE OSTI2021

Vapor-phase self-assembly for generating thermally stable single-atom catalysts

Preparation of thermally stable metal single-atom catalysts (SACs) is a challenge in heterogeneous catalysis, especially on conventional supports that provide a weak metal-support interaction. In this work, we report that a modified support MgAl 2 O 4 can stabilize Pt single atoms by a mechanism of vapor-phase self-assembly in a high-temperature treatment (800°C, air). The experimental results on the formation mechanism and the structure are validated by DFT and ab initio molecular dynamics simulations. We infer that stable triangular K 3 O 3 structures help stabilize Pt single atoms at high temperatures in oxidizing conditions, exhibiting excellent reactivity for methane oxidation. The obtained Pt/K/MgAl 2 O 4 SAC presents excellent stability in methane oxidation after steam treatment at elevated temperatures, whereas the Pt/MgAl 2 O 4 nanocatalyst suffers from rapid deactivation due to Pt nanoparticle growth. Now this work paves the way for preparing thermally stable and highly active SACs using conventional high-surface-area supports, despite the weak metal-support interaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗