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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Reversible Interlayer Sliding and Conductivity Changes in Adaptive Tetrathiafulvalene-Based Covalent Organic Frameworks

Ordered interlayer stacking is intrinsic in two-dimensional covalent organic frameworks (2D COFs) and has strong implications on COF's optoelectronic properties. Reversible interlayer sliding, corresponding to shearing of 2D layers along their basal plane, is an appealing dynamic control of both structures and properties, yet it remains unexplored in the 2D COF field. In this paper, we demonstrate that the reversible interlayer sliding can be realized in an imine-linked tetrathiafulvalene (TTF)-based COF TTF-DMTA. The solvent treatment induces crystalline phase changes between the proposed staircase-like sql net structure and a slightly slipped eclipsed sql net structure. The solvation-induced crystallinity changes correlate well with reversible spectroscopic and electrical conductivity changes as demonstrated in oriented COF thin films. In contrast, no reversible switching is observed in a related TTF-TA COF, which differs from TTF-DMTA in terms of the absence of methoxy groups on the phenylene linkers. This work represents the first 2D COF example of which eclipsed and staircase-like aggregated states are interchangeably accessed via interlayer sliding, an uncharted structural feature that may enable applications such as chemiresistive sensors.

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

Transmission Electron Microscopy Study on the Effect of Thermal and Electrical Stimuli on Ge2Te3 Based Memristor Devices

Memristor devices fabricated using the chalcogenide Ge 2 Te 3 phase change thin films in a metal-insulator-metal structure are characterized using thermal and electrical stimuli in this study. Once the thermal and electrical stimuli are applied, cross-sectional transmission electron microscopy (TEM) and X-ray energy-dispersive spectroscopy (XEDS) analyses are performed to determine structural and compositional changes in the devices. Electrical measurements on these devices showed a need for increasing compliance current between cycles to initiate switching from low resistance state (LRS) to high resistance state (HRS). The measured resistance in HRS also exhibited a steady decrease with increase in the compliance current. High resolution TEM studies on devices in HRS showed the presence of residual crystalline phase at the top-electrode/dielectric interface, which may explain the observed dependence on compliance current. XEDS study revealed diffusion related processes at dielectric-electrode interface characterized, by the separation of Ge 2 Te 3 into Ge- and Te- enriched interfacial layers. This was also accompanied by spikes in O level at these regions. Furthermore, in-situ heating experiments on as-grown thin films revealed a deleterious effect of Ti adhesive layer, wherein the in-diffusion of Ti leads to further degradation of the dielectric layer. This experimental physics-based study shows that the large HRS/LRS ratio below the current compliance limit of 1 mA and the ability to control the HRS and LRS by varying the compliance current are attractive for memristor and neuromorphic computing applications.

Shallcross, Austin↗
NASA NTRSDate not supplied

Advances in X-ray Instruments to Support Mars Sample Return

The Mars 2020 Perseverance rover is currently collecting drill cores of ancient igneous and sedimentary rock in and around Jezero crater for potential transport to Earth. These samples from the martian surface will enable detailed mineralogical, geochemical, and petrological measurements to characterize ancient depositional and diagenetic environments, quantitatively age-date the samples, and identify the building blocks for life or evidence for life itself. Furthermore, these drill cores are especially precious because they may represent the most pristine samples from the martian surface and our best chance at identifying martian life, as future sample return missions may be conducted by humans that can introduce biological contaminants to the samples. Because of the importance of these samples, we must take great care in their handling, curation, and preliminary analyses so that they are preserved for scientific measurements for decades to come. In-situ measurements by Perseverance have identified minerals that further warrant special treatment of the returned samples. Hydrated sulfate carbonate, swelling clay minerals, and oxychlorine salts are extremely sensitive to changes in temperature and relative humidity. The structures of hydrated sulfates and oxychlorine minerals, in particular, readily change when exposed to different conditions, meaning the mineral assemblage of the as-returned samples may be lost if the samples aren’t handled properly. Characterizing the as-returned mineral assemblage, particularly of the salts, is essential for reconstructing past aqueous conditions and habitability. To characterize the as-returned mineral assemblage, the samples must be analyzed rapidly before phase changes occur and/or under controlled conditions (e.g., within a glove box). Significant recent advances in X-ray instrumentation for robotic exploration of the solar system have resulted in high-resolution miniaturized instruments that would provide mineralogical, geochemical, and petrological information on the returned martian samples without degradation of the mineral assemblage. Here, we describe a combined X-ray diffractometer/X-ray fluorescence spectrometer (XRD/XRF), an X-ray computed tomographic (XCT) instrument, and a scanned beam XRF mapping instrument that could be used in a glove box so that the martian samples remain under controlled conditions.

E. B. Rampe↗
NASA NTRS1972

Theoretical analysis of a rotating two-phase detonation in liquid rocket motors.

A nonlinear analysis to study tangential mode shock instabilities in a thin annular chamber is carried out by employing a one dimensional two phase detonation wave as a reaction model. It is assumed that phase change and reaction take place only within the wave, which is treated as a discontinuity. The annulus is unrolled and the flow is considered as two dimensional with the coordinate system fixed on the wave front. Between waves, the flow is assumed to be isentropic with no interaction between droplets and burned gases. Jump conditions across the wave are solved for two phase flow. The average pressure along the injection plate is related to the design chamber pressure by the use of overall conservation equations. The wave strength is written in terms of the design parameters of the chamber. The results compare favorably with existing experiments. Finally, the effects of drop size on the wave strength are discussed and a simple criterion which sets the lower limit of validity for this strong wave analysis, is presented.

Shen, P. I.-W.↗
NASA NTRS1972

Optimization of thermal protection systems for the space shuttle vehicle. Volume 1: Final report

A study performed to continue development of computational techniques for the Space Shuttle Thermal Protection System is reported. The resulting computer code was used to perform some additional optimization studies on several TPS configurations. The program was developed in Fortran 4 for the CDC 6400, and it was converted to Fortran 5 to be used for the Univac 1108. The computational methodology is developed in modular fashion to facilitate changes and updating of the techniques and to allow overlaying the computer code to fit into approximately 131,000 octal words of core storage. The program logic involves subroutines which handle input and output of information between computer and user, thermodynamic stress, dynamic, and weight/estimate analyses of a variety of panel configurations. These include metallic, ablative, RSI (with and without an underlying phase change material), and a thermodynamic analysis only of carbon-carbon systems applied to the leading edge and flat cover panels. Two different thermodynamic analyses are used. The first is a two-dimensional, explicit precedure with variable time steps which is used to describe the behavior of metallic and carbon-carbon leading edges. The second is a one-dimensional implicity technique used to predict temperature in the charring ablator and the noncharring RSI. The latter analysis is performed simply by suppressing the chemical reactions and pyrolysis of the TPS material.

Source record↗
NASA NTRS1980

Tidal-friction theory of the earth-moon system

Serious errors contained in Jeffreys' (1952, 1959, 1970, 1976) discussion of tidal friction in the earth-moon system are identified and their consequences are discussed. A direct solution of the dynamical tidal equations for the couple from the earth acting upon the moon and the couple from the earth acting upon the sun, which were left unsolved by Jeffreys, is found to be incompatible with observations and the predictions of linear or quadratic friction theory, due to his failure to take into account the possible change of the moment of inertia of the earth with time in the derivation of the dynamical equations. Consideration of this factor leads to the conclusion that the earth must be contracting at a rate of 14.7 x 10 to the -11th/year, which can be accounted for only by the Ramsey theory, in which the terrestrial core is considered as a phase change rather than a change in chemical composition. Implications of this value for the rates of changes in day length and lunar distance are also indicated.

Lyttleton, R. A.↗
DOE OSTI2024

Porous mesh manifold for enhanced boiling performance

High-performance electronics are continuously demanding cooling of higher heat fluxes. Phase-change cooling, including pool boiling, is a useful approach to address this challenge; however, competition between liquid and vapor flows generally limit the heat fluxes that can be dissipated. A range of strategies to control these flows have been investigated previously, including capillary guides. Here a manifold structure formed from a metallic mesh is investigated to control the disposition of liquid and vapor phases above a pool fed boiling surface enhanced with porous structures. Copper mesh forms defined liquid flow paths, using capillary action to guide and distribute liquid evenly over the heated surface, along with open channels to facilitate vapor escape. The mesh provides a novel structure for liquid guidance that imposes low resistance to liquid flow while occluding a minimal area of heated surface underneath. The manifold performance is characterized in boiling fed by a pool of water above a laser-textured aluminum nitride heat dissipation surface with pin–fin structures having heights of 110 µm and spacing of 30 µm with a heated area of 5 mm x 5 mm. A maximum heat flux of 490 W/cm 2 is reached with the manifold in the pool fed configuration, representing an increase of more than 65% over the porous pin fin surface alone. The maximum stable superheat observed for the manifold of 36K is 14K higher than that for the porous surface without the manifold. The factors limiting performance of the manifold are analyzed. High superheat is attributed to partial flooding of the boiling surface as suggested by the reduction in superheat using external suction. Similar systems and structures for enhanced two-phase cooling are compared.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Orientation Effects in Two-Phase Microgap Flow

The high power density of emerging electronic devices is driving the transition from remote cooling, which relies onconduction and spreading, to embedded cooling, which extracts dissipated heat on-site. Two-phase microgap coolersemploy the forced flow of dielectric fluids undergoing phase change in a heated channel within or between devices. Such coolers must work reliably in all orientations for a variety of applications (e.g., vehicle-based equipment), as well as in microgravity and high-g for other applications (e.g., spacecraft and aircraft). The lack of acceptable models andcorrelations for orientation- and gravity-independent operation has limited the use of two-phase coolers in suchapplications. Previous research has revealed that gravitational acceleration plays a diminishing role in establishing flow regimes and transport rates as the channel size shrinks, but there is considerable variation among the proposed microscale criteria and limited research on two-phase flows in low aspect ratio microgap channels. Reliable criteria for achieving orientation- and gravity-independent flow boiling would enable emerging systems to exploit this thermal management technique and streamline the technology development process.

orientation↗
DOE OSTI2024

Dynamic response of additively manufactured Ti–5Al–5V–5Mo–3Cr as a function of heat treatment

Both shock and shockless compression experiments were performed on laser powder bed fusion (LPBF) Ti–5Al–5V–5Mo–3Cr (Ti-5553) to peak compressive stresses near 15 GPa. Experiments were performed on the as-built material, containing a purely β (body centered cubic) microstructure, and two differing heat treatments resulting in a dual phase α (hexagonal close packed) and β microstructure. The Hugoniot, Hugoniot elastic limit (HEL), and spallation strength were measured and compared to wrought Ti-6Al-4V (Ti-64). The results indicate the LPBF Ti-5553 Hugoniot response is similar between heat treatments and to Ti-64. The HEL stress observed in the LPBF Ti-5553 was considerably higher than Ti-64, with the as-built, fully β alloy exhibiting the largest values. The spallation strength of the LPBF Ti-5553 was also similar to Ti-64. Clear evidence of initial porosity serving as initiation sites for spallation damage was observed when comparing computed tomography measurements before and after loading. Post-mortem scanning electron microscopy images of the recovered spallation samples showed no evidence of retained phase changes near the spall plane. The spall plane was found to have kinks aligned with the loading direction near areas with large concentrations of twin-like, crystallographic defects in the as-built condition. For the heat-treated samples, the concentrations of twin-like, crystallographic defects were absent, and no preference for failure at the interface between the α and β phases was observed.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Improved OTEC System for a Submarine Robot

An ocean thermal energy conversion (OTEC), now undergoing development, is a less-massive, more-efficient means of exploiting the same basic principle as that of the proposed system described in "Alternative OTEC Scheme for a Submarine Robot" (NPO-43500), NASA Tech Briefs, Vol. 33, No. 1 (January 2009), page 50. The proposed system as described previously would be based on the thawing-expansion/freezing-contraction behavior of a wax or perhaps another suitable phase-change material (PCM). The power generated by the system would be used to recharge the batteries in a battery- powered unmanned underwater vehicle [UUV (essentially, a small exploratory submarine robot)] of a type that has been deployed in large numbers in research pertaining to global warming. A UUV of this type travels between the ocean surface and depths, measuring temperature and salinity. At one phase of its operational cycle, the previously proposed system would utilize the surface ocean temperature (which lies between 15 and 30 C over most of the Earth) to melt a PCM that has a melting/freezing temperature of about 10 C. At the opposite phase of its operational cycle, the system would utilize the lower ocean temperature at depth (e.g., between 4 and 7 C at a depth of 300 m) to freeze the PCM. The melting or freezing would cause the PCM to expand or contract, respectively, by about 9 volume percent. The PCM would be contained in tubes that would be capable of expanding and contracting with the PCM. The PCM-containing tubes would be immersed in a hydraulic fluid. The expansion and contraction would drive a flow of the hydraulic fluid against a piston that, in turn, would push a rack-and-pinion gear system to spin a generator to charge a battery.

Chao, Yi↗
NASA NTRS2018

Orientation Effects in Two-Phase Microgap Flow

The high power density of emerging electronic devices is driving the transition from remote cooling, which relies on con-duction and spreading, to embedded cooling, which extracts dissipated heat on-site. Two-phase microgap coolers employ the forced flow of dielectric fluids undergoing phase change in a heated channel within or between devices. Such coolers must work reliably in all orientations for a variety of applications (e.g., vehicle-based equipment), as well as in microgravity and high-g for other applications (e.g., spacecraft and aircraft). The lack of acceptable models and correlations for orientation- and gravity-independent operation has limited the use of two-phase coolers in such applications. Previous research has revealed that gravita-tional acceleration plays a diminishing role in establishing flow regimes and transport rates as the channel size shrinks, but there is considerable variation among the proposed microscale criteria and limited research on two-phase flows in low aspect ratio mi-crogap channels. Reliable criteria for achieving orientation- and gravity-independent flow boiling would enable emerging sys-tems to exploit this thermal management technique and streamline the technology development process. As a first step toward understanding the effect of gravity on two-phase microgap flow and transport, in the present effort the authors have studied the effect of evaporator orientation and mass flux on near-saturated flow boiling of HFE7100 in a 1.01 mm tall by 13.0 mm wide by 12.7 mm long microgap channel. Orientation-independence, defined as achieving similar critical heat fluxes, heat transfer coefficients, and flow regimes across evaporator orientations, was achieved for mass fluxes of 400 kg/m2-s and greater. The present results are compared to pub-lished criteria for achieving gravity-independence.

orientation↗
DOE OSTI2023

Materials Design Directions for Solar Thermochemical Water Splitting

The sustainable, economical production of molecular hydrogen is a crucial component of a net zero-greenhouse-gas-emissions future. Solar thermochemical water splitting (STWS) offers a renewable route to hydrogen with the potential to help decarbonize several industries, including transportation, manufacturing, mining, metals processing, and electricity generation, as well as provide sustainable hydrogen as a chemical feedstock. STWS uses high temperatures generated from concentrated sunlight or other sustainable means for high-temperature heat to produce hydrogen and oxygen from steam. For example, in its simplest form of a two-step thermochemical cycle, a redox-active metal oxide is heated to ≈1700-2000 K, driving off molecular oxygen while producing oxygen vacancies in the material. The reduced metal oxide then cools (ideally with the extracted heat recuperated for re-use) and, in a separate step, comes into contact with steam, which reacts with oxygen vacancies to produce molecular hydrogen while recovering the original state of the metal oxide. Despite its promising use of the entire solar spectrum to split water thermochemically, the current estimated cost of hydrogen produced via STWS is ≈4-6× the U.S. Department of Energy (DOE) Hydrogen Shot target value of $1/kg. One contributing approach to bridging this cost gap is the design of new materials with improved thermodynamic properties to enable higher efficiencies. The state-of-the-art (SOA) redox-active metal oxide for STWS is ceria (CeO 2 ), due to its close to optimal, although too high, oxygen vacancy formation enthalpy and large configurational and electronic entropy of reduction. However, ceria requires high operating temperatures and its efficiency is insufficient. Therefore, efforts to increase the efficiency of STWS cycles have focused on further optimizing oxygen vacancy formation enthalpies and augmenting the reduction entropy via substitution or doping and materials discovery schemes. Examples of the latter include the perovskites BaCe 0.25 Mn 0.75 O 3 and (Ca,Ce)(Ti,Mn)O 3 . These efforts and others have revealed intuitive chemical principles for the efficient and systematic design of more effective materials, such as the strong correlation between the enthalpies of crystal bond dissociation and solid-state cation reduction with the enthalpy of oxygen vacancy formation, as well as configurational entropy augmentation via the coexistence of two or more redox-active cation sublattices. The purpose of this chapter is to prepare the reader with an up-to-date account of STWS redox-active materials, both the SOA and promising newcomers, as well as to provide chemically intuitive strategies for improving their cycle efficiencies through materials design – in conjunction with ongoing efforts in reactor engineering and gas separations – to reach the cost points for commercial viability. First, we will introduce the thermodynamics of STWS using a two-step, metal-oxide, thermochemical cycle with economics in mind. We also will compare the pros and cons of processes that do or do not involve phase changes. Second, we will describe the qualities that make ceria the SOA STWS redox-active material, as well as its limitations. Third, we will survey some of the most promising candidates to date in the search for materials to supplant ceria, emphasizing the post-ternary, metal-oxide-perovskite alloys. Lastly, we will enumerate and discuss the following materials design directions for STWS redox-active materials: crystal reduction potentials as a proxy for oxygen vacancy formation enthalpies, engineering the electronic and configurational entropy of reduction via f-shells and simultaneous redox, and vetting materials stability via temperature-dependent phase diagrams and melting-point prediction.

08 HYDROGEN↗
DOE OSTI2021

Local ordering in disordered Nd x Zr 1-x O 2-0.5x pyrochlore as observed using neutron total scattering

Pyrochlore complex oxides (A 2 B 2 O 7 ) are an important class of fluorite-derivative ceramics with exceptional chemical and structural versatility which make them ideal model systems for studying disordering mechanisms over a range of spatial scales. Here, neutron total scattering methods were used to analyze the structural behavior in the non-stoichiometric series Nd x Zr 1-x O 2-0.5x (0.5 ≤ x ≤ 0.23) as a function of Nd content, x. Characterization of the structure functions using Rietveld refinement and the pair distribution functions with small-box refinement reveal complex disordering pathways; the average, long-range phase changes over a very narrow compositional range from pyrochlore ($Fd\bar{3}m$) to defect fluorite ($Fm\bar{3}m$) through full randomization of the cation and anion sublattices at x ~ 0.31, while the local, short-range structure continuously adopts a weberite-type atomic arrangement (C222 1 ). Comparison to a previously studied Ho 2 Ti 2-x Zr x O 7 solid solution series reveals how changes in chemical composition and stoichiometry modify defect formation and determine how disordering progresses across different length scales in pyrochlore oxides.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Nonlinear propagation of a wave packet in a two-dimensional acoustically lined duct

The method of multiple scales is used to analyze the nonlinear effects of the gas motion and the acoustic lining material on the propagation and attenuation of a wave packet in a two-dimensional duct of uniform cross section. The partial differential equations describing the space and time variation of amplitudes and phases are obtained and used to show that both the monochromatic waves and the pure amplitude modulated waves are stable. The spatial attenuation of the pure amplitude modulated waves is found to be lower than that of monochromatic waves, while the temporal attenuation of the former waves has a minimum value near the resonant frequency. The nonlinearity shifts the wavenumber and frequency to higher values without changing phase speed for the pure phase modulated waves.

Tsai, M.-S.↗
NASA NTRS2016

Zero Boil-Off Tank (ZBOT) Experiment

The Zero-Boil-Off Tank (ZBOT) experiment has been developed as a small scale ISS experiment aimed at delineating important fluid flow, heat and mass transport, and phase change phenomena that affect cryogenic storage tank pressurization and pressure control in microgravity. The experiments use a simulant transparent low boiling point fluid (PnP) in a sealed transparent Dewar to study and quantify: (a) fluid flow and thermal stratification during pressurization; (b) mixing, thermal destratification, depressurization, and jet-ullage penetration during pressure control by jet mixing. The experiment will provide valuable microgravity empirical two-phase data associated with the above-mentioned physical phenomena through highly accurate local wall and fluid temperature and pressure measurements, full-field phase-distribution and flow visualization. Moreover, the experiments are performed under tightly controlled and definable heat transfer boundary conditions to provide reliable high-fidelity data and precise input as required for validation verification of state-of-the-art two-phase CFD models developed as part of this research and by other groups in the international scientific and cryogenic fluid management communities.

ISS↗
DOE OSTI2024

A Microwave Photonics Optical Fiber Method for Measuring Distributed Strain for Hydrologic Applications in the Vadose and Saturated Zones

Distributed strain measurements appear to hold significant potential for monitoring hydrologic processes. Coherence-length-gated Microwave Photonics Interferometry (CMPI) is a distributed sensing technique that measures strain in an optical fiber by reading optical interference phase changes in the microwave domain. The technique provides 10nε resolution when cm spatial resolution is applied. CMPI was used to measure the strain caused by small periodic variations in air pressure (25 Pa amplitude and 4 Hz) in a sand-filled laboratory column used to represent barometric loading in the vadose zone. The strain varied as a periodic function with an amplitude that decreased and a phase that increased with depth. The distribution of amplitude and phase of the strain depended on the water saturation, permeability, and presence of a barrier at the top of the sand. A theoretical analysis suggests that the air pressure diffusivity estimated from pressure data is similar to the diffusivity estimated from the distributed strain. These results indicated that the CMPI distributed strain measurement system could be used to improve monitoring and characterization of the vadose and underlying saturated zone.

Hua, Liwei↗
DOE OSTI2023

Phase patterning of metallic glasses through superfast quenching of ion irradiation-induced thermal spikes

Amorphous metallic glasses (MGs) convert to crystalline solids upon annealing at a high temperature. Such a phase change, however, does not occur with the local melting caused by damage cascades introduced by ion irradiation, although the resulting thermal spikes can reach temperatures > 1000 K. This is because the quenching rate of the local melting zone is several orders of magnitude higher than the critical cooling rate for MG formation. Thus the amorphous structure is sustained. This mechanism increases the highest temperature at which irradiated MG sustains amorphous phase. More interestingly, if an irradiated MG is pre-annealed to form a polycrystalline structure, ion irradiation can locally convert this crystalline phase to an amorphous phase if the grains are nanometers in size and comparable to the damage cascade volume size. Combining pre-annealing and site selective ion irradiation, patterned crystalline-amorphous heterogeneous structures have been fabricated. This finding opens new doors for various applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Polaron-induced metal-to-insulator transition in vanadium oxides from density functional theory calculations

Vanadium oxides have been extensively studied as phase-change memory units in artificial synapses for neuromorphic computing due to their metal-insulator transitions (MIT) at or near room temperature. Recently, injection of charge carriers into vanadium oxides, e.g., via optically via a heterostructure, has been proposed as an alternative switching mechanism and also potentially as a means to tune the MIT temperature. In this study, we explore the formation of small polarons in the low temperature (LT) insulating phases for V 3 O 5 ,VO 2 , and V 2 O 3 , and the barriers to their migration using density functional theory calculations. We find that V 3 O 5 exhibits very low hole and electron polaron migration barriers (<100 meV) compared to V 2 O 3 and VO 2 , leading to much higher estimated polaronic conductivity. We also link the relative migration barriers to the amount of distortion that has to travel when the polaron migrate from one site to another. Polarons in V 3 O 5 also have smaller binding energies to vanadium and oxygen vacancy defects. Furthermore, these results suggest that the triggering of the MIT via injection of charge carriers are due to the formation of small polarons that can migrate rapidly through the crystal.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗