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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 577 records · Page 32

The computer simulation of automobile use patterns for defining battery requirements for electric cars

The modeling process of a complex system, based on the calculation and optimization of the system parameters, is complicated in that some parameters can be expressed only as probability distributions. In the present paper, a Monte Carlo technique was used to determine the daily range requirements of an electric road vehicle in the United States from probability distributions of trip lengths, frequencies, and average annual mileage data. The analysis shows that a daily range of 82 miles meets to 95% of the car-owner requirements at all times with the exception of long vacation trips. Further, it is shown that the requirement of a daily range of 82 miles can be met by a (intermediate-level) battery technology characterized by an energy density of 30 to 50 Watt-hours per pound. Candidate batteries in this class are nickel-zinc, nickel-iron, and iron-air. These results imply that long-term research goals for battery systems should be focused on lower cost and longer service life, rather than on higher energy densities

Schwartz, H.-J.↗

Crack barriers improve the mechanical and thermal properties of non-metallic sinter materials

Means of improving the tensile strength of ceramic composites by introducing ductile intermediate layers capable of absorbing the elastic energy at the rupture front are studied. Tests with an Al203 laminate with niobium inclusions showed that crack propagation could be successfully precluded by dissipation of the energy by deformation and/or delamination at the inclusion/matrix interface.

Gruenthaler, K. H.↗

Temperature Controller for a Solar Furnace

Relatively-simple movable sheild has been suggested for controlling temperature of solar furnace. Temperature modulator can be set to have collected solar energy fully "on", fully "off" or any intermediate level. Parabolic mirror concentrates Sunlight into receiver. Shade plate that blocks insolation at back of receiver produces shade zone in center of collector. No radiation is returned to receiver from shade zone; only rays falling on other areas of reflecting surface are directed back toward receiver.

Hale, R. R.↗

On the fragmentation of rotating interstellar clouds

Simple physical arguments are used to estimate the time scale for fragmentation of a collapsing, rotating, isothermal, interstellar cloud. This time scale is compared with a similarly estimated time scale for the collapse upon itself of a transitory ring structure. It is shown to be plausible for a cloud with a given ratio of rotational to gravitational energy (beta) that as the ratio of thermal to gravitational energy (alpha) is varied, there is an intermediate range of alpha where a ring forms and collapses on itself, prior to fragmentation. For higher or lower alpha, however, the cloud fragments prior to ring self-collapse. The analysis is compared with the results of numerical multidimensional, gravitational, hydrodynamical collapse and shown to be in good agreement with them.

Boss, A. P.↗

Pulse radiolysis of epoxy-based matrix materials

Electron beam pulse radiolysis (600 KeV, 3 nsec) experiments have been carried out on epoxy-based matrix materials. Time and wavelength resolved emission and transient absorption techniques as well as ESR studies have been utilized to identify and monitor short lived reactive intermediates resulting from energetic electron impact. An energy deactivation model based on the results of this work has been developed. Recombination of primary charged species is found to be fast, resulting in the formation of longer lived excited electronic states and radicals which control the subsequent energy deactivation.

Coulter, D. R.↗

Active rendezvous between a low-earth orbit user spacecraft and the Space Transportation System (STS) shuttle

Active rendezvous of an unmanned spacecraft with the Space Transportation System (STS) Shuttle is considered. The various operational constraints facing both the maneuvering spacecraft and the Shuttle during such a rendezvous sequence are discussed. Specifically, the actively rendezvousing user spacecraft must arrive in the generic Shuttle control box at a specified time after Shuttle launch. In so doing it must at no point violate Shuttle separation requirements. In addition, the spacecraft must be able to initiate the transfer sequence from any point in its orbit. The four-burn rendezvous sequence incorporating two Hohmann transfers and an intermediate phasing orbit as a low-energy solution satisfying the above requirements are discussed. The general characteristics of the four-burn sequence are discussed, with emphasis placed on phase orbit altitude and delta-velocity requirements. The planning and execution of such a sequence in the operational environment are then considered. Factor crucial in maintaining the safety of both spacecraft, such as spacecraft separation and contingency analysis, are considered in detail.

Hooper, H. L.↗

The coupling of interfacial instabilities and the stabilization of two-layer annular flows

In this paper the stability of annular pressure-driven parallel flows of two liquids sandwiching a free cylindrical interface is considered. For small to moderate Reynolds numbers, the interface is susceptible to capillary and interfacial wave instabilities, the latter instability caused by a jump in viscosity at the interface. It is shown that favorable velocity profiles in both liquids may stabilize capillary breakup of the interface and suppress the axisymmetric interfacial wave instability. A long-wave analysis leads to the physical mechanism responsible for stabilization of capillary breakup. This physical mechanism is a generalization of that by which capillary breakup is stabilized by interfacial shear in an annular film of a single liquid. Stabilization of intermediate wavelengths is studied with a mechanical energy analysis, which leads to a description of the energetic processes at work.

Dijkstra, Henk A.↗

On the Fragmentation of Rotating Interstellar Clouds

Simple physical arguments are used to estimate the time scale for fragmentation of a collapsing, rotating, isothermal, interstellar cloud. This time scale is compared with a similarly estimated time scale for the collapse upon itself of a transitory ring structure. It is shown to be plausible for a cloud with a given ratio of rotational to gravitational energy (beta) that as the ratio of thermal to gravitational energy (alpha) is varied, there is an intermediate range of alpha where a ring forms and collapses on itself, prior to fragmentation. For higher or lower alpha however, the cloud fragments prior to ring self-collapse. The analysis is compared with the results of numerical multidimensional, gravitational, hydrodynamical collapse and shown to be in good agreement with them.

Boss, Alan Paul↗

Mechanosensitive channels in bacteria as membrane tension reporters

The purpose of this short review is to discuss recent data on the molecular structure and mechanism of gating of MscL, a mechanosensitive channel of large conductance from Escherichia coli. MscL is the first isolated molecule shown to convert mechanical stress of the membrane into a simple response, the opening of a large aqueous pore. The functional complex appears to be a stable homo-pentamer of 15-kDa subunits, the gating transitions in which are driven by stretch forces conveyed through the lipid bilayer. We have measured the open probability of MscL and the kinetics of transitions as a function of membrane tension. The parameters extracted from the single-channel current recordings and dose-response curves such as the energy difference between the closed, open, and intermediate conducting states, and the transition-related changes in protein dimensions suggest a large conformational rearrangement of the channel complex. The estimations show that in native conditions MscL openings could be driven primarily by forces of osmotic nature. The thermodynamic and spatial parameters reasonably correlate with the available data on the structure of a single MscL subunit and multimeric organization of the complex. Combined with the functional analysis of mutations, these data give grounds to hypotheses on the nature of the channel mechanosensitivity.

Review↗

Quantum Entanglement Molecular Absorption Spectrum Simulator

Quantum Entanglement Molecular Absorption Spectrum Simulator (QE-MASS) is a computer program for simulating two photon molecular-absorption spectroscopy using quantum-entangled photons. More specifically, QE-MASS simulates the molecular absorption of two quantum-entangled photons generated by the spontaneous parametric down-conversion (SPDC) of a fixed-frequency photon from a laser. The two-photon absorption process is modeled via a combination of rovibrational and electronic single-photon transitions, using a wave-function formalism. A two-photon absorption cross section as a function of the entanglement delay time between the two photons is computed, then subjected to a fast Fourier transform to produce an energy spectrum. The program then detects peaks in the Fourier spectrum and displays the energy levels of very short-lived intermediate quantum states (or virtual states) of the molecule. Such virtual states were only previously accessible using ultra-fast (femtosecond) laser systems. However, with the use of a single-frequency continuous wave laser to produce SPDC photons, and QEMASS program, these short-lived molecular states can now be studied using much simpler laser systems. QE-MASS can also show the dependence of the Fourier spectrum on the tuning range of the entanglement time of any externally introduced optical-path delay time. QE-MASS can be extended to any molecule for which an appropriate spectroscopic database is available. It is a means of performing an a priori parametric analysis of entangled photon spectroscopy for development and implementation of emerging quantum-spectroscopic sensing techniques. QE-MASS is currently implemented using the Mathcad software package.

Nguyen, Quang-Viet↗

Assessment of Survey Results from Advanced Reactor Industry Domain Experts on Nonlinear Soil-Structure Interaction Analysis Software Verification and Validation

The seismic load case has a significant impact on the design and cost of nuclear power plants. Given the need to substantially reduce cost, advanced reactor designers are looking to leverage numerical tools that enable seismic analysis of an integrated vessel/support/structure/soil system. Modern nonlinear analysis tools provide a solution, capturing dynamic coupling between components (including soil-structure interaction (SSI)) concurrent with nonlinear behavior in one or more parts of the system. Although these methods have a rich history of technical development and implementation, software quality assurance (SQA) following nuclear industry standards remains a significant burden for those wishing to adopt such methods for advanced reactor design and licensing. To reduce the SQA burden, this project will develop the guidance for SQA verification and validation (V&V) of coupled nonlinear SSI analysis tools, to include a test matrix of software features and test problems to support commercial grade dedication (CGD). The guidance is intended to be technology-neutral: supporting designers of all advanced reactors. To maximize the value of the project to reactor designers, the project team performed focused surveys of and interviews with advanced reactor designers. Additionally, the project surveyed members of the broader industry involved in reactor design and licensing. The aggregated industry feedback consists of written survey responses, live polling responses, focused interviews, and informal feedback provided after outreach presentations, collectively referred to as “survey results”. Herein, the survey results are reported, reviewed, and assessed to inform follow-on project activities. The survey results confirmed the familiarity of the industry with the coupled nonlinear SSI analysis. They also affirm the project need based upon the expressed intent to (1) incorporate nonlinear features and (2) pursue the coupled nonlinear SSI analysis to reduce seismic demands and construction costs. All reactor designers indicated their intent to incorporate two or more nonlinear features, and all reactor designer respondents opined that the coupled nonlinear SSI analysis would allow for the optimization of the reactor design and construction. However, the programmatic challenges, whether real or perceived, present a significant barrier to reactor designers. The barrier most commonly identified by the reactor designer population was regulatory risk, with 70% citing this as a reason not to pursue the approach. The perceived regulatory risk identified by the reactor designers underscores the importance of regulator engagement and dialogue in this project. Additionally, half of the reactor designers identified cost and lack of guidance as a deterrent. The survey results also provide insights to tailor specific aspects of the guidance document and test matrix. The project plans to prepare both a formal referenceable guidance document and a collaborative, web-based test matrix and problem set. The project will focus on more complete test problem definitions for the prioritized nonlinear features over shallower problem descriptions for a larger set of features. The nonlinearities prioritized as high based upon survey feedback include fluid-structure interaction and seismic isolation and energy dissipation devices. The nonlinearities prioritized as intermediate include nonlinear geomaterials, nonlinear concrete, nonlinear steel, and interface/contact nonlinearity. Deep embedment and the associated nonlinear phenomena are assigned the lowest priority based upon survey feedback.

42 ENGINEERING↗

BETO 2021 Peer Review - Improving Formate Upgrading by Cupriavidus Necator 2.3.2.111

Formate can be generated by electrocatalytic reduction of CO2 and has been proposed as a soluble intermediate for the storage of carbon and energy. Biological systems capable of assimilating formate could enable conversion of formate generated from low-cost renewable energy and waste CO2 to myriad fuels and chemicals. To that end, the goal of this project is to develop the natural formatotroph Cupriavidus necator as a robust microbial chassis for efficient conversion of formate to value-added products. Using a combination of laboratory evolution and rational engineering, we have identified mutations and genetic deletions that improve its growth rate and biomass yield on formate by 1.2X. Using RNA-seq transcriptomics, we are elucidating the mechanisms that underly these improvements and anticipate this will contribute to our understanding of formate conversion. We have also engineered C. necator to convert formate to the potential polymer precursor 2-hydroxymuconate semialdehyde (2HMS) by introducing an exogenous pathway and deleting competing pathways and demonstrated production and robust growth using a pH-stat bioreactor. Final techno-economic analysis and life-cycle assessment on biological production of 2HMS from formate will enable the DOE and other stake holders to evaluate the economic and environmental impact of this project and related technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Minimizing Cr-Evaporation from Balance of Plant Components by Utilizing Cost-Effective Alumina-Forming Austenitic Steels

A solid oxide fuel cell (SOFC) is a clean and efficient energy conversion device. The development of intermediate-temperature SOFCs has made it preferable to use metallic interconnects (MICs) to greatly reduce the cost and significantly increase the efficiency compared to ceramic interconnect materials. However, gaseous chromium species will evaporate from the chromium-containing layer formed on the surface of commonly used MICs and balance of plant (BoP) components. Volatile chromium species have been shown to form solid deposits which poison the cathodes of SOFCs, causing drastic cell performance degradation and thereby limiting commercialization. In order to alleviate the Cr poisoning and achieve long-term high performance of SOFC stacks, various Al2O3-forming austenitic (AFA) stainless steels applied at different temperatures are evaluated in this project. Based on our Phase I results (500 h operation), it is shown that on the AFAs, an alumina-based protective layer forms under high temperature that is invulnerable to water vapor effects and suppresses the diffusion of chromium and manganese which can prevent the generation of spinels on the alloy surface. Therefore, 310S, OC4 and OC5 at 800 °C and 625, OC11 and OC11LZ at 900 °C are selected to be tested in the Phase II long-term operation. From the results, we find that besides the lower Cr evaporation rates and better oxidation resistance of AFAs than benchmark alloys after short-term (500 h) operation, AFAs also possess the sturdy and compact alumina layer after a long-term operation (5000 h). A protective oxide layer is of great importance for the long-term high-temperature operation of structural materials. The high-temperature oxidation behavior of AFAs and commercial 310S and 625 alloys in Air + 10% H 2 O at 800 °C and 900 °C is systematically investigated. Severe breakaway oxidation and minor spallation are observed for the 310S and 625 after the long-term operation, while the AFAs show high oxidation resistance. It is found that the formation of a continuous alumina layer could greatly prevent the volatilization of chromium vapors. In addition, the corresponding evolving models are discussed. Chromium evaporation from BoP components in high-temperature environment could severely deteriorate the electrochemical performance of SOFC. Several methods were applied to evaluate the Cr evaporation rates of BoP after 500 h exposure at 800 °C to 900 °C in air with 10% H 2 O. An optimal method was designed to exclude the effect of silicon (Si) deposits from quartz tube and sodium (Na) deposits from the sodium carbonate on the oxidation process and the chemical interaction between Cr gaseous species and alumina tube which could provide further quantitative correlation of the evaporated Cr species quantities and degradation rates of SOFC. Based on the great performance of AFAs after long-term operation, AFAs are assembled with Anode-supported cells (ASC) to investigate the the Cr deposition of anode-supported cell under a constant current density of 0.5 A cm -2 at 800 °C with AFA alloys compared with commercial alloys. In addition, the anodic and cathodic processes are deconvoluted by distribution of relaxation times (DRT) method which are comprehensively discussed. It is found out that the voltage exhibited a slight decrease of 5.09 % and 1.54 % in the presence of OC11 and OC11LZA alloy, respectively. However, a considerable decrease of 22.14 % and 12.06 % was determined in the presence of 310S and 625 alloy, respectively. AFAs possessing the low-cost, low Cr evaporation rates and the high oxidation resistance will make it of great potential to replace the existing BoP components.

36 MATERIALS SCIENCE↗

Progress Towards the Reality of Low-Temperature Critical Experiments with Low-Temperature TEX

Integral benchmarks for criticality safety do not exist below room temperature. Incredible support for below room temperature benchmarks is present across the international community. Validation of low-temperature neutron cross sections is necessary to verify any operation at temperatures below room temperature which is typically observed in environments far from the equator. For example, a fissile material transportation truck may routinely observe ambient temperatures down to -40°C, which is the lower temperature bound of the normal conditions of transportation defined in the United States Title 10 Code of Federal Regulations §71.71c2. Similarly, the IAEA, which contains 176 member states, has the same requirement for subcriticality for fissile material transportation. Additionally, sub-room temperature benchmarks can validate newly produced cross sections, that include novel thermal scattering laws, from North Carolina State University. A six-case experiment designed based off the TEX-HEU baseline experiments has been proposed utilizing a chilled vacuum chamber capable of cooling the HEU stack down to -50°C. The six proposed configurations span the entire neutron fission energy range and can be tested at intermediate temperatures between room temperature and -40°C. Of the six configurations, the fastest case utilizes nearly 135 kg of HEU. Understanding the system is required prior to critical experiment operations. In order to test the functionality of the system, testing with surrogate fuel materials has been conducted. The following discusses the design of the low temperature TEX (LT-TEX) experiment as well as the progress made via surrogate testing towards a reality in which low-temperature integral benchmarks exist in the International Criticality Safety Benchmark Evaluation Project (ICSBEP).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fluoride salts as phase change materials for thermal energy storage in the temperature range 1000-1400 K

Eutectic compositions and congruently melting intermediate compounds in binary and ternary fluoride salt systems were characterized for potential use as latent heat of fusion phase change materials to store thermal energy in the temperature range 1000-1400 K. The melting points and eutectic compositions for many systems with published phase diagrams were experimentally verified and new eutectic compositions having melting points between 1000 and 1400 K were identified. Heats of fusion of several binary and ternary eutectics and congruently melting compounds were experimentally measured by differential scanning calorimetry. For a few systems in which heats of mixing in the melts have been measured, heats of fusion of the eutectics were calculated from thermodynamic considerations and good agreement was obtained between the measured and calculated values. Several combinations of salts with high heats of fusion per unit mass (greater than 0.7 kJ/g) have been identified for possible use as phase change materials in advanced solar dynamic space power applications.

Misra, Ajay K.↗

Advanced Manufacturing of Intermediate-Temperature Protonic Ceramic Electrochemical Cells

Proton conducting oxide (i.e., protonic ceramic) has been thought of as an ideal solid electrolyte for energy conversion and storage applications since Iwahara et al. reported the perovskite-type protonic ceramics represented by doped barium/strontium cerates and zirconates in the 1980s. Here, proton, as the charge carrier in protonic ceramics, possesses a much lower transport activation energy than oxide-ion, which has rendered protonic ceramics for extensive intermediate-temperature (IT, 400-700°C) electrochemical devices such as protonic ceramic fuel cells (PCFCs), reversible protonic ceramic fuel cells, and protonic ceramic membrane reactors.

08 HYDROGEN↗

The multichannel i -propyl + O2 reaction system: A model of secondary alkyl radical oxidation

The i-propyl + O2 reaction mechanism has been investigated by definitive quantum chemical methods to establish this system as a benchmark for the combustion of secondary alkyl radicals. Focal point analyses extrapolating to the ab initio limit were performed based on explicit computations with electron correlation treatments through coupled cluster single, double, triple, and quadruple excitations and basis sets up to cc-pV5Z. The rigorous coupled cluster single, double, and triple excitations/cc-pVTZ level of theory was used to fully optimize all reaction species and transition states, thus, removing some substantial flaws in reference geometries existing in the literature. The vital i-propylperoxy radical (MIN1) and its concerted elimination transition state (TS1) were found 34.8 and 4.4 kcal mol−1 below the reactants, respectively. Two β-hydrogen transfer transition states (TS2, TS2′) lie above the reactants by (1.4, 2.5) kcal mol−1 and display large Born–Oppenheimer diagonal corrections indicative of nearby surface crossings. An α-hydrogen transfer transition state (TS5) is discovered 5.7 kcal mol−1 above the reactants that bifurcates into equivalent α-peroxy radical hanging wells (MIN3) prior to a highly exothermic dissociation into acetone + OH. The reverse TS5 → MIN1 intrinsic reaction path also displays fascinating features, including another bifurcation and a conical intersection of potential energy surfaces. An exhaustive conformational search of two hydroperoxypropyl (QOOH) intermediates (MIN2 and MIN3) of the i-propyl + O2 system located nine rotamers within 0.9 kcal mol−1 of the corresponding lowest-energy minima.

Chemistry↗

EMIC Wave-Driven Bounce Resonance Scattering of Energetic Electrons in the Inner Magnetosphere

While electromagnetic ion cyclotron (EMIC) waves have been long studied as a scattering mechanism for ultrarelativistic (megaelectron volt) electrons via cyclotron‐resonant interactions, these waves are also of the right frequency to resonate with the bounce motion of lower‐energy (approximately tens to hundreds of kiloelectron volts) electrons. Here we investigate the effectiveness of this bounce resonance interaction to better determine the effects of EMIC waves on subrelativistic electron populations in Earth's inner magnetosphere. Using wave and plasma parameters directly measured by the Van Allen Probes, we estimate bounce resonance diffusion coefficients for four different events, illustrative of wave and plasma parameters to be encountered in the inner magnetosphere. The range of electron energies and pitch angles affected is examined to better assess the realistic effects of EMIC‐driven bounce resonance on energetic electron populations based on actual, locally observed event‐based parameters. Significant local diffusion coefficients (~ > 10(exp −6) s(exp −1)) for 50‐ to 100‐keV electrons are achieved for both H+ band wave events as well as He+ band, with diffusion coefficients peaking for near‐90° pitch angles but remaining elevated for intermediate ones as well. Diffusion coefficients for higher‐energy 200‐keV electrons are typically multiple orders of magnitude lower (ranging from 10(exp −11) to 10(exp −6) s(exp −1)) and often peak at lower pitch angles (~20–30°). These results suggest that both H+ and He+ band EMIC waves can play a role in shaping lower‐energy electron dynamics via bounce‐resonant interactions, in addition to their role in relativistic electron loss via cyclotron resonance.

Blum, L. W.↗