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At least 973 records · Page 54

Observation of a highly conductive warm dense state of water with ultrafast pump–probe free-electron-laser measurements

The electrical conductivity of water under extreme temperatures and densities plays a central role in modeling planetary magnetic fields. Experimental data are vital to test theories of high-energy-density water and assess the possible development and presence of extraterrestrial life. These states are also important in biology and chemistry studies when specimens in water are confined and excited using ultrafast optical or free-electron lasers (FELs). Here we utilize femtosecond optical lasers to measure the transient reflection and transmission of ultrathin water sheet samples uniformly heated by a 13.6 nm FEL approaching a highly conducting state at electron temperatures exceeding 20 000 K. The experiment probes the trajectory of water through the high-energy-density phase space and provides insights into changes in the index of refraction, charge carrier densities, and AC electrical conductivity at optical frequencies. At excitation energy densities exceeding 10 MJ/kg, the index of refraction falls to n = 0.7, and the thermally excited free-carrier density reaches ne = 5 × 1027 m−3, which is over an order of magnitude higher than that of the electron carriers produced by direct photoionization. Significant specular reflection is observed owing to critical electron density shielding of electromagnetic waves. The measured optical conductivity reaches 2 × 104 S/m, a value that is one to two orders of magnitude lower than those of simple metals in a liquid state. At electron temperatures below 15 000 K, the experimental results agree well with the theoretical calculations using density-functional theory/molecular-dynamics simulations. With increasing temperature, the electron density increases and the system approaches a Fermi distribution. In this regime, the conductivities agree better with predictions from the Ziman theory of liquid metals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Supercapacitor Electrolyte Solvents with Liquid Range Below -80 C

A previous NASA Tech Brief ["Low-Temperature Supercapacitors" (NPO-44386) NASA Tech Briefs, Vol. 32, No 7 (July 2008), page 32] detailed ongoing efforts to develop non-aqueous supercapacitor electrolytes capable of supporting operation at temperatures below commercially available cells (which are typically limited to charging and discharging at > or equal to -40 C). These electrolyte systems may enable energy storage and power delivery for systems operating in extreme environments, such as those encountered in the Polar regions on Earth or in the exploration of space. Supercapacitors using these electrolytes may also offer improved power delivery performance at moderately low temperatures (e.g. -40 to 0 C) relative to currently available cells, offering improved cold-cranking and cold-weather acceleration capabilities for electrical or hybrid vehicles. Supercapacitors store charge at the electrochemical double-layer, formed at the interface between a high surface area electrode material and a liquid electrolyte. The current approach to extending the low-temperature limit of the electrolyte focuses on using binary solvent systems comprising a high-dielectric-constant component (such as acetonitrile) in conjunction with a low-melting-point co-solvent (such as organic formates, esters, and ethers) to depress the freezing point of the system, while maintaining sufficient solubility of the salt. Recent efforts in this area have led to the identification of an electrolyte solvent formulation with a freezing point of -85.7 C, which is achieved by using a 1:1 by volume ratio of acetonitrile to 1,3-dioxolane

Brandon, Erik↗

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↗

Fuel-conservative guidance system for powered-lift aircraft

A concept for automatic terminal area guidance, comprising two modes of operation, was developed and evaluated in flight tests. In the predictive mode, fuel efficient approach trajectories are synthesized in fast time. In the tracking mode, the synthesized trajectories are reconstructed and tracked automatically. An energy rate performance model derived from the lift, drag, and propulsion system characteristics of the aircraft is used in the synthesis algorithm. The method optimizes the trajectory for the initial aircraft position and wind and temperature profiles encountered during each landing approach. The design theory and the results of simulations and flight tests using the Augmentor Wing Jet STOL Research Aircraft are described.

Erzberger, H.↗

Self-Pressurization and Spray Cooling Simulations of the Multipurpose Hydrogen Test Bed (MHTB) Ground-Based Experiment

This paper presents a CFD (computational fluid dynamics) model for simulating the self-pressurization of a large scale liquid hydrogen storage tank. In this model, the kinetics-based Schrage equation is used to account for the evaporative and condensing interfacial mass flows. Laminar and turbulent approaches to modeling natural convection in the tank and heat and mass transfer at the interface are compared. The flow, temperature, and interfacial mass fluxes predicted by these two approaches during tank self-pressurization are compared against each other. The ullage pressure and vapor temperature evolutions are also compared against experimental data obtained from the MHTB (Multipuprpose Hydrogen Test Bed) self-pressurization experiment. A CFD model for cooling cryogenic storage tanks by spraying cold liquid in the ullage is also presented. The Euler- Lagrange approach is utilized for tracking the spray droplets and for modeling interaction between the droplets and the continuous phase (ullage). The spray model is coupled with the VOF (volume of fluid) model by performing particle tracking in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. Droplet ullage heat and mass transfer are modeled. The flow, temperature, and interfacial mass flux predicted by the model are presented. The ullage pressure is compared with experimental data obtained from the MHTB spray bar mixing experiment. The results of the models with only droplet/ullage heat transfer and with heat and mass transfer between the droplets and ullage are compared.

cryogenic fluid storage↗

Temperature measurements in the inner corona

To increase the understanding of the acceleration of the solar wind, it is necessary to combine observations and theoretical approaches. The importance of coordinated measurements in the inner corona and interplanetary space to place constraints on solar wind models is demonstrated. Given the fact that the temperature in the inner corona is the most important parameter in solar wind modeling, observations from which reliable temperatures can be deduced are crucial for such coordinated approaches. The derivation of temperatures in the inner corona are addressed, as well as which assumptions and models are inherent in the temperatures derived using different observational techniques. Two examples of extreme ultraviolet (EUV) observations are chosen to demonstrate problems that can arise in the interpretation of measurements.

Esser, Ruth↗

Fuel-conservative guidance system for powered-lift aircraft

A concept for automatic terminal-area guidance, comprising two modes of operation, has been developed and evaluated in flight tests. In the first or predictive mode, fuel-efficient approach trajectories are synthesized in fast time. In the second or tracking mode, the synthesized trajectories are reconstructed and tracked automatically. An energy rate performance model derived from the lift, drag, and propulsion-system characteristics of the aircraft is used in the synthesis algorithm. The method optimizes the trajectory for the initial aircraft position and wind and temperature profiles encountered during each landing approach. The paper describes the design theory and discusses the results of simulations and flight tests using the Augmentor Wing Jet STOL Research Aircraft.

Erzberger, H.↗

An initialization procedure for assimilating geostationary satellite data into numerical weather prediction models

An attempt was made to offset the limitations of GEO satellites for supplying timely initialization data for numerical weather prediction models (NWP). The NWP considered combined an isentropic representation of the free atmosphere with a sigma-coordinate model for the lower 200 mb. A flux form of the predictive equations described vertical transport interactions at the boundary of the two model domains, thereby accounting for the poor vertical temperature and wind field resolution of GEO satellite data. A variational analysis approach was employed to insert low resolution satellite-sensed temperature data at varying rates. The model vertical resolution was limited to that available from the satellite. Test simulations demonstrated that accuracy increases with the frequency of data updates, e.g., every 0.5-1 hr. The tests also showed that extensive cloud cover negates the capabilities of IR sensors and that microwave sensors will be needed for temperature estimations for 500-1000 mb levels.

Gal-Chen, T.↗

Boundary formulations for shape sensitivity of temperature dependent conductivity problems

Used in concert with the Kirchhoff transformation, implicit differentiation of the discretized boundary integral equations governing the conduction of heat in solids with temperature dependent thermal conductivity is shown to generate an accurate and economical approach for computation of shape sensitivities. For problems with specified temperature and heat flux boundary conditions, a linear problem results for both the analysis and sensitivity analysis. In problems with either convection or radiation boundary conditions, a nonlinear problem is generated. Several iterative strategies are presented for the solution of the resulting sets of nonlinear equations and the computational performances examined in detail. Multizone analysis and zone condensation strategies are demonstrated to provide substantive computational economies in this process for models with either localized nonlinear boundary conditions or regions of geometric insensitivity to design variables. A series of nonlinear example problems is presented that have closed form solutions. Exact analytical expressions for the shape sensitivities associated with these problems are developed and these are compared with the sensitivities computed using the boundary element formulation.

Kane, James H.↗

Molecular dynamics simulations for glass transition temperature predictions of polyhydroxyalkanoate biopolymers

Polyhydroxyalkanoates (PHAs) represent an emerging class of biosynthetic and biodegradable polyesters that exhibit considerable potential to replace petroleum-based plastics towards a sustainable future. Despite the promise, general structure–property mappings within this class of polymers remain largely unexplored. An efficient exploration of this vast chemical space calls for the development and validation of predictive methods for accurate estimation of a diverse range of properties for PHA-based polymers. Towards this aim, we present and validate in this work the results of our molecular dynamics (MD) simulation based approach aimed at predicting glass transition temperatures (T g ) of PHA-based polymers. Since generally available and widely used polymer forcefields exhibit a relatively poor performance for T g predictions, we have developed a new forcefield by modifying the polymer consistent force field (PCFF) via refining a selected set of torsion potentials of the polymer backbone using accurate density functional theory (DFT) computations. After carefully assessing the dependence of critical simulation parameters, such as, polymer chain length, number of polymer chains, supercell size, and thermal quenching rate used in the simulation, the applicability and transferability of the modified PCFF (mPCFF) is demonstrated by directly comparing the computed T g predictions of various polymers with different chemistries, polymer side chain lengths and functional groups forming the polymer side chains against the respective experimentally measured values. Furthermore, the transport properties such as self-diffusion coefficient and viscosity are computationally determined and their well-known correlation with the target properties is demonstrated. Lastly, we have employed the developed approach to predict T g values for a number of yet-to-be-synthesized PHA-based polymers with a diverse set of functional groups in the polymer side chains. The results are further rationalized by correlating the predicted T g values with the inter-chain H-bond formation tendencies of the different side chain functional groups. This work represents an important first step towards computationally guided design of PHA-based functional polymers and opens up new directions for a systematic investigation of composition- and configuration-dependent structure–property relationships in more complex binary and ternary copolymer systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis and application of thermally responsive nanofiber coatings for overtemperature monitoring

This study presents a one-pot synthesis route to organometallic nanofibers based on copper thiolate, exhibiting distinctive chemical and physical characteristics. Electron microscopy analysis of morphology and composition revealed 2-10 μm-long, 50-90 nm-diameter hollow and non-hollow fibers composed of copper, sulfur, oxygen, hydrocarbon, and chlorine. Thermogravimetric analysis showed a pronounced mass loss within 120°C-135°C. To elucidate the thermal responsive pathways, the nanofibers were characterized before and after heating. X-ray photoelectron spectroscopy indicates that an initially mixed Cu(I)/Cu(II) oxidation states transition to predominantly Cu(I) upon heating. A layer of nanofiber was coated on battery pouch foil and evaluated as a candidate thermally sensitive coating. At elevated temperature (100-130°C), nanofiber coating released volatile organic compounds, sulfide and sulfur dioxide as detected using multiple gas sensors. This thermally responsive gas release/sensing approach provides a potential large-area temperature monitoring strategy, which is particularly relevant where direct temperature measurements of individual batteries is impractical. The results established proof of concept for nanofiber-coated battery pouch foil as overtemperature warning platform that can provide alerts when surface temperatures exceed a critical threshold. More broadly, the ability to form interconnected fiber networks positions copper thiolate nanofiber coatings as promising materials for advanced applications.

Ihala Gamaralalage, Chanaka [ORNL] (ORCID:00000002↗

Evaluation of boundary layer transition criteria for space shuttle orbiter entry

A comparison was made of the effect of boundary layer transition on center-line heating in a conical and a normal-shock flow field. It was shown that the time of transition onset (and, hence, the heating parameter) is significantly influenced by the choice of transition criterion in the normal-shock flow but that this parameter is much less sensitive to the transition criterion in a conical flow field. An evaluation of the effects of boundary layer transition on center-line heating in the conical flow field has shown that the temperatures are less affected by the use of various transition crieria than are heat loads. This difference is due to the delay in the time of transition onset predicted by those criteria with high transition Reynolds numbers. The criteria which predict the most severe thermal environment are those of fully turbulent flow throughout the entry, because transition occurs early in the trajectory for each of these criteria, they tend to predict similar values of maximum temperature and total heat load especially at center-line locations aft of 0.6. Evaluation of center-line heating generated by various trajectory shaping approaches has shown that the maximum surface temperature distribution was not significantly affected by the shaping technique. However, the heat load distribution is influenced, particularly on the forward portion of the vehicle.

Helms, V. T., III↗

Using Data-Science Approaches to Unravel Insights for Enhanced Transport of Lithium Ions in Single-Ion Conducting Polymer Electrolytes

Solid polymer electrolytes have yet to achieve the desired ionic conductivity (>1 mS/cm) near room temperature required for many applications. This target implies the need to reduce the effective energy barriers for ion transport in polymer electrolytes to around 20 kJ/mol. In this work, we combine information extracted from existing experimental results with theoretical calculations to provide insights into ion transport in single-ion conductors (SICs) with a focus on lithium ion SICs. Through the analysis of temperature-dependent ionic conductivity data obtained from the literature, we evaluate different methods of extracting energy barriers for lithium transport. The traditional Arrhenius fit to the temperature-dependent ionic conductivity data indicates that the Meyer–Neldel rule holds for SICs. However, the values of the fitting parameters remain unphysical. Our modified approach based on recent work (Macromolecules 2023, 56, 15, 6051), which incorporates a fixed pre-exponential factor, reveals that the energy barriers exhibit temperature dependence over a wide range of temperatures. Using this approach, we identify anions leading to the energy barriers <30 kJ/mol, which include trifluoromethane sulfonimide (TFSI), fluoromethane sulfonimide (FSI), and boron-based organic anions. In our efforts to design the next generation of anions, which can exhibit the energy barriers <20 kJ/mol, we have performed density functional theory (DFT) based calculations to connect the chemical structures of boron-based anions via the binding energy of cation (lithium)-anion pairs with the experimentally derived effective energy barriers for ion hopping. Not only have we identified a correlation between the binding energy and the energy barriers, but we also propose a strategy to design new boron-based anions by using the correlation. This combined approach involving experiments and theoretical calculations is capable of facilitating the identification of promising new anions, which can exhibit ionic conductivity >1 mS/cm near room temperature, thereby expediting the development of novel superionic single-ion conducting polymer electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Earlier emergence of a temperature response to mitigation by filtering annual variability

The rate of global surface warming is crucial for tracking progress towards global climate targets, but is strongly influenced by interannual-to-decadal variability, which precludes rapid detection of the temperature response to emission mitigation. Here we use a physics based Green’s function approach to filter out modulations to global mean surface temperature from sea-surface temperature (SST) patterns, and show that it results in an earlier emergence of a response to strong emissions mitigation. For observed temperatures, we find a filtered 2011–2020 surface warming rate of 0.24 °C per decade, consistent with long-term trends. Unfiltered observations show 0.35 °C per decade, partly due to the El Nino of 2015–2016. Pattern filtered warming rates can become a strong tool for the climate community to inform policy makers and stakeholder communities about the ongoing and expected climate responses to emission reductions, provided an effort is made to improve and validate standardized Green’s functions.

58 GEOSCIENCES↗

Adjustment of Sensor Locations During Thermal Property Parameter Estimation

The temperature dependent thermal properties of a material may be evaluated from transient temperature histories using nonlinear parameter estimation techniques. The usual approach is to minimize the sum of the squared errors between measured and calculated temperatures at specific locations in the body. Temperature measurements are usually made with thermocouples and it is customary to take thermocouple locations as known and fixed during parameter estimation computations. In fact, thermocouple locations are never known exactly. Location errors on the order of the thermocouple wire diameter are intrinsic to most common instrumentation procedures (e.g., inserting a thermocouple into a drilled hole) and additional errors can be expected for delicate materials, difficult installations, large thermocouple beads, etc.. Thermocouple location errors are especially significant when estimating thermal properties of low diffusively materials which can sustain large temperature gradients during testing. In the present work, a parameter estimation formulation is presented which allows for the direct inclusion of thermocouple positions into the primary parameter estimation procedure. It is straightforward to set bounds on thermocouple locations which exclude non-physical locations and are consistent with installation tolerances. Furthermore, bounds may be tightened to an extent consistent with any independent verification of thermocouple location, such as x-raying, and so the procedure is entirely consonant with experimental information. A mathematical outline of the procedure is given and its implementation is illustrated through numerical examples characteristic of light-weight, high-temperature ceramic insulation during transient heating. The efficacy and the errors associated with the procedure are discussed.

Milos, Frank S.↗

Blanket technology

It was concluded that systems requirements would force a reassessment of the conventional approach to interconnecting cells into blanket or array modules. Defense applications (hardening) were identified as the key requirement that would force a movement away from the standard method (solder) of forming array circuits. The panel also agreed that requirements associated with the impending NASA Space Station and in-bound missions would lead to alternative interconnecting approaches. It was concluded that the diverse requirements of future space missions (high temperature and extended thermal cycling) might not be met by one approach, such as parallel-gap resistance welding. The panel suggested that other options such as high temperature solders and brazing be considered for the various mission requirements that were anticipated. The panel agreed that blanket technology was potentially suitable for in-orbit annealing to temperatures of 200 C provided that conventional soldered connecting techniques were replaced by "welding".

Scott-Monck, J.↗

Westcott g factors extended to arbitrary neutron energy spectra

Westcott 𝑔 factors are used in Neutron Activation Analysis (NAA) and Prompt Gamma-ray Activation Analysis (PGAA) to evaluate the impact of non-1∕𝑣 behavior in the neutron-capture cross sections of certain nuclei on activation product yields. This non-1∕𝑣 behavior arises from the presence of neutron resonances in the neutron- capture cross sections that overlap with the source neutron spectrum at low (< 5 eV) energies. Historically, Westcott 𝑔 factors that have been cataloged for NAA and PGAA applications are the result of calculations that assume a Maxwellian neutron flux distribution with a given temperature. In this work, we use this approach with updated neutron-capture cross sections from the Evaluated Nuclear Data File, version VIII.1 (ENDF/B-VIII.1) to tabulate Westcott 𝑔 factor values for a broad range of Maxwellian distribution temperatures, comparing the results against currently-available 𝑔 factors from International Atomic Energy Agency tables and other sources. Here, it was discovered during this analysis that the use of guided thermal and cold-neutron beams at certain facilities necessitates an approach for evaluating Westcott 𝑔 factors based on arbitrary non-Maxwellian spectra. In this paper, we present an approach for calculating 𝑔 factors with user-specified neutron spectra, and we demonstrate these methods to obtain Westcott 𝑔-factors for guided- and cold-neutron beams at the Budapest Research Reactor and the Forschungsreaktor München II reactor. As part of this work, open-source software has been developed that can be used to perform these calculations for applications in PGAA and NAA experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A design perspective on thermal barrier coatings

This technical paper addresses the challenges for maximizing the benefit of thermal barrier coatings for turbine engine applications. The perspective is from a customer's viewpoint, a turbine airfoil designer, who is continuously challenged to increase the turbine inlet temperature capability for new products while maintaining cooling flow levels or even reducing them. This is a fundamental requirement to achieve increased engine thrust levels. Developing advanced material systems for the turbine flowpath airfoils is one approach to solve this challenge, for example, high temperature nickel based superalloys or thermal barrier coatings to insulate the metal airfoil from the hot flowpath environment. The second approach is to increase the cooling performance of the turbine airfoil, which enables increased flowpath temperatures and reduced cooling flow levels. Thermal barrier coatings have been employed in jet engine applications for almost 30 years. The initial application was on augmenter lines to provide thermal protection during afterburner operation. However, the production use of thermal barrier coating in the turbine section has only occurred in the past 15 years. The application was limited to stationary parts, and only recently incorporated on the rotating turbine blades. This lack of endorsement of thermal barrier coatings resulted from the poor initial durability of these coatings in high heat flux environments. Significant improvements have been made to enhance spallation resistance and erosion resistance which has resulted in increased reliability of these coatings in turbine applications.

Soechting, F. O.↗