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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Enhancement of Hydrophilic Characteristics of Non-Wetting Porous Substrates by Kaolinite Treatment

The use of porous media has enormous potential for thermal management and phase separation in terrestrial, micro, Lunar and Marian gravity environments. Recently, a porous media based gravity insensitive condensing heat exchanger for humidity control has been proposed and successfully demonstrated by the authors. A strongly hydrophilic porous substrate is essential for condensing and trapping water vapor from the airstreams. However, most porous media which have good thermal characteristics are poorly wetting to water. This poses a significant obstacle in the development of the porous media based condensing heat exchanger. In response to this problem, a clay based process was developed for improving the wettability of non-wetting and partially wetting porous media. It was demonstrated that poorly wetting porous graphite as well as porous stainless steel could be converted to a completely wetting porous substrate by kaolinite treatment. The process enhances the wettability of both the surface and the interior pores. The paper presents experimental results of enhanced wettability of the treated substrate in terms of imbibition rate and capillary pressure as a function of saturation. The long term stability of the treated surface is also investigated and discussed.

Khan, Lutful I.↗
DOE OSTI2021

Universality in asymptotic bounds and its saturation in 2D CFT

We study asymptotics of three point coefficients (light-light-heavy) and two point correlators in heavy states in unitary, compact 2D CFTs. We prove an upper and lower bound on such quantities using numerically assisted Tauberian techniques. We obtain an optimal upper bound on the spectrum of operators appearing with fixed spin from the OPE of two identical scalars. While all the CFTs obey this bound, rational CFTs come close to saturating it. This mimics the scenario of bounds on asymptotic density of states and thereby pronounces an universal feature in asymptotics of 2D CFTs. Next, we clarify the role of smearing in interpreting the asymptotic results pertaining to considerations of eigenstate thermalization in 2D CFTs. In the context of light-light-heavy three point coefficients, we find that the order one number in the bound is sensitive to how close the light operators are from the $\frac{c}{32}$ threshold. In context of two point correlator in heavy state, we find the presence of an enigmatic regime which separates the AdS 3 thermal physics and the BTZ black hole physics. Furthermore, we present some new numerical results on the behaviour of spherical conformal block.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A thermodynamic explanation of the Invar effect

The anomalously low thermal expansion of Fe–Ni Invar has long been associated with magnetism, but to date, the microscopic underpinnings of the Invar behaviour have eluded both theory and experiment. Here we present nuclear resonant X-ray scattering measurements of the phonon and magnetic entropies under pressure. By applying a thermodynamic Maxwell relation to these data, we obtain the separate phonon and magnetic contributions to thermal expansion. We find that the Invar behaviour stems from a competition between phonons and spins. In particular, the phonon contribution to thermal expansion cancels the magnetic contribution over the 0–3 GPa pressure range of Invar behaviour. At pressures above 3 GPa, the cancellation is lost, but our analysis reproduces the positive thermal expansion measured separately by synchrotron X-ray diffractometry. Ab initio calculations informed by experimental data show that spin–phonon interactions improve the accuracy of this cancellation over the range of Invar behaviour. Further, spin–phonon interactions also explain how different phonon modes have different energy shifts with pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Transition between Heavy-Fermion-Strange-Metal and Quantum Spin Liquid in a $4⁢d$-Electron Trimer Lattice

We present experimental evidence that a heavy Fermi surface consisting of itinerant, charge-neutral spinons underpins both heavy-fermion-strange-metal (without f electrons) and quantum-spin-liquid states in the 4d-electron trimer lattice, Ba 4 Nb 1-x Ru 3+x O 12 (|x| < 0.20). These two exotic states both exhibit an extraordinarily large entropy, a linear heat capacity extending into the milli-Kelvin regime, a linear thermal conductivity at low temperatures, and separation of charges and spins. Furthermore, the insulating spin liquid is a much better thermal conductor than the heavy-fermion-strange-metal that separately is observed to strongly violate the Wiedemann- Franz law. Here, we propose that at the heart of this 4d system is a universal, heavy spinon Fermi surface that provides a unified framework for explaining the exotic phenomena observed throughout the entire series. The control of such exotic ground states provided by variable Nb concentration offers a new paradigm for studies of correlated quantum matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Fine-tuned thermally cross-linkable 6FDA-based polyimide membranes for aggressive natural gas separation

Glassy 6FDA-based polyimides are attractive membrane materials for many industrially important gas separations; however, plasticization in aggressive natural gas often causes significant loss in CO 2 /CH 4 selectivity. In this study, a family of thermally cross-linkable 6FDA-based polyimides containing carboxyl groups were synthesized and cross-linked as dense films via decarboxylation-induced thermal crosslinking. As well as chemical structure, crosslinking temperatures above and below T g are shown to be synergistic tools. Our results demonstrate that structure evolution during the decarboxylation-induced crosslinking process is affected significantly by the 3,5-diaminobenzoic acid (DABA) content in the polymer backbone. Even for a 50/50 CO 2 /CH 4 binary mixture with feed pressure up to 800 psia, decarboxylation-induced crosslinking provides attractive gas separation performance and plasticization resistance. Combined facile structure tunability, crosslinkability and high asymmetric fiber spinnability make the cross-linkable 6FDA-based polyimides a versatile platform for diverse aggressive natural gas feeds encountered in practice. Finally, our study provides insights into material design of thermally cross-linkable polymer membranes for such a broad spectrum of aggressive gas separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Complete separation of benzene-cyclohexene-cyclohexane mixtures via temperature-dependent molecular sieving by a flexible chain-like coordination polymer

Abstract The separation and purification of C6 cyclic hydrocarbons (benzene, cyclohexene, cyclohexane) represent a critically important but energy intensive process. Developing adsorptive separation technique to replace thermally driven distillation processes holds great promise to significantly reduce energy consumption. Here we report a flexible one-dimensional coordination polymer as an efficient adsorbent to discriminate ternary C6 cyclic hydrocarbons via an ideal molecular sieving mechanism. The compound undergoes fully reversible structural transformation associated with removal/re-coordination of water molecules and between activated and hydrocarbon-loaded forms. It exhibits distinct temperature- and adsorbate-dependent adsorption behavior which facilitates the complete separation of benzene, cyclohexene and cyclohexane from their binary and ternary mixtures, with the record-high uptake ratios for C 6 H 6 /C 6 H 12 and C 6 H 10 /C 6 H 12 in vapor phase and highest binary and ternary selectivities in liquid phase. In situ infrared spectroscopic analysis and ab initio calculations provide insight into the host-guest interactions and their effect on the preferential adsorption and structural transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Identification and characterization of the dominant thermal resistance in lithium-ion batteries using operando 3-omega sensors

Poor thermal transport within lithium-ion batteries fundamentally limits their performance, safety, and lifetime, in spite of external thermal management systems. All prior efforts to understand the origin of batteries' mysteriously high thermal resistance have been confined to ex situ measurements without understanding the impact of battery operation. Here, we develop a frequency-domain technique that employs sensors capable of measuring spatially resolved intrinsic thermal transport properties within a live battery while it is undergoing cycling. Our results reveal that the poor battery thermal transport is due to high thermal contact resistance between the separator and both electrode layers and worsens as a result of formation cycling, degrading total battery thermal transport by up to 70%. We develop a thermal model of these contact resistances to explain their origin. These contacts account for up to 65% of the total thermal resistance inside the battery, leading to far-reaching consequences for the thermal design of batteries. Finally, our technique unlocks new thermal measurement capabilities for future battery research.

25 ENERGY STORAGE↗
DOE OSTI2025

Exploring Microphase Separation in Semi-Fluorinated Diblock Copolymers: A Combined Experimental and Modeling Investigation

We report the combined experimental and theoretical study of the bulk self-assembly behavior of polystyrene-blockpoly( 2,3,4,5,6-pentafluorostyrene) diblock copolymers. These block copolymers were designed to create highly antagonistic blocks (with a high Flory−Huggins interaction parameter, χ) with minimum disruption to the molecular construct (i.e., only replacing five hydrogen atoms with five fluorine atoms). A large library of diblock copolymers (41 samples) was synthesized by reversible addition− fragmentation chain transfer (RAFT) polymerization to map out a major portion of the phase space. All block copolymers exhibited narrow molecular weight distributions with dispersity (D) values between 1.07 and 1.32, and subsequent thermal annealing revealed phase separation into well-defined nanoscale morphologies depending on their molecular composition, as determined from small-angle X-ray scattering and transmission electron microscopy analyses, with an experimental phase diagram being constructed. The χ value at 25 °C for this block copolymer was estimated to be 0.2 using strong segregation theory, based on trends in phase-separated domain spacing and interfacial width. When applying theoretical approaches, the majority of the domain spacing data trends were captured by a coil−coil diblock copolymer model; however, a better fit to the data for samples with shorter fluorinated blocks was obtained with a rod−coil model, indicating that the chains in these fluorinated blocks likely have a higher inherent stiffness and were thus rod-like. This observation demonstrates that, due to the very high value of χ, a transition from coil−coil to rod−coil behavior can be obtained purely by reducing the length of the stiffer of the two blocks and without varying temperature or the chemical composition of the polymers. Here, this work showcases the presence of strong microphase separation within AB diblock copolymers despite the relatively similar chemical composition of the constituent “A” and “B” units, with a clear transition from rod−coil to coil−coil segregation behavior.

RAFT polymerization↗
NASA NTRSDate not supplied

AERACEPT (AErosol Rapid Analysis Combined Entry Probe/sonde Technology) for the Nephele Venus Cloud Mission Concept

Nephele is a small atmospheric probe mission concept to determine whether the Venus clouds contain organic matter. Nephele complements larger missions that seek to conduct Venus atmospheric analyses, such as DAVINCI, Venera-D, and the Morning Star missions, by directly sampling and analyzing cloud and haze particles. AERACEPT is an aerosol sampling technology designed to minimize the mass, volume, and complexity required for in situ planetary atmosphere characterization. A single aeroshell functions as a combined entry vehicle, descent probe, and instrumented sonde, combining recent advances in thermal protection materials with heritage technology from planetary and airborne science. The velocity of descent drives aerosol through inlets embedded in the aeroshell’s thermal protection material; inertial separation isolates the particles from the gas stream; and the particle capture surface doubles as the analysis substrate. This method can work without heat shield separation, descent control, or active sample handling; these advantages trade against a smaller sample volume, higher risk of sample heating, and shorter time for analysis and data return. AERACEPT further benefits from modeling of the internal and external flow to understand the particle capture efficiency and bias for size and concentration distributions. AERACEPT is well suited for a Venus mission such as Nephele, where a passive descent trajectory is both subsonic over the altitudes of interest and provides sufficient velocity and pressure differential for the particle sizes of interest. A thermal and flow toolchain developed in-house (Traj→ DPLR→ PATO→ openFOAM) was used to model an 80-cm aeroshell with science operations 63–39 km. These models indicate that AERACEPT will provide ~24 µL accumulated sample of particles ≥ 0.2 µm, substantially above the 2 µL threshold requirement. The worst-case particle heating will be ~14 K above ambient, for the smallest particles at the lowest altitude; most particles will experience ≤ 1 K rise, at which almost all analytes of interest will be unaffected. Plasma jet testing of a small-scale aeroshell-material inlet was recently conducted to validate the thermal model parameters; wind tunnel testing to validate the flow model parameters is underway.

AERACEPT↗
DOE OSTI2024

Design and optimization of flexible decoupled high-temperature gas-cooled reactor plants with thermal energy storage

Advanced nuclear power plants are well-positioned for future zero-carbon grids, however, the need for flexible power generation will be required over the traditional emphasis on baseload generation for meeting historical demands. To achieve such flexibility, this work examines viable configurations for coupling nuclear energy production with thermal energy storage. Previous designs on nuclear-thermal energy storage configurations for advanced reactor designs, which utilized reactor steam as the heat source for charging the thermal energy storage, are restricted by the heat diversion ratio and efficiency losses, thus their impacts can be limited. In this context, this study proposes configurations for fully decoupling the nuclear reactor from the power cycle and positioning the storage as an intermediate loop, thereby achieving an unconstrained heat diversion ratio and improved efficiency. Compared with a standard high-temperature gas-cooled reactor’s power cycle, steady-state thermodynamic modeling and dispatch optimizations quantify the benefits of a steam reheat cycle within the fully decoupled thermal energy system to separate the plant cycle from the high-pressure primary side. These benefits are further detailed, compatible with required high-temperature and high-pressure conditions, through (1) open-source dynamic transient models that examine the impact of off-design operation on the systems, (2) the investigation of components design and costing and finally (3) sizing and dispatch optimization. The fully-decoupled design achieves a cycle efficiency of 43.1%, an enhancement over the vendor’s standard efficiency of 42.2% (Xe-100 design). Here, the proposed design offers strengthened physical barriers from the nuclear island as well as superior operational flexibility and power boosting. Dispatch optimization and market analysis reveal that thermal energy storage size is highly dependent on the peak patterns of electricity prices and the minimum generation level constraint imposed on the balance of plant. Evaluation of off-design operation demonstrates that the full decoupling design with the suggested fail-safe control mechanisms ensures a minimal impact on reactor parameters, even during rapid power ramping.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

In Situ Synthesis of Phosphate-Based CelloMOF as a Promising Separator for Li–Ion Batteries

Nowadays, battery separators play a critical role in determining the sustainability, electrochemical efficiency, and safety of lithium-ion batteries (LIBs). In this contribution, we developed fire-resistant composite membranes called CelloMOF by in situ grafting of metal-organic framework, ZIF-67, onto phosphorylated cellulose nanofibers (P-CNFs) followed by a vacuum filtration process akin to papermaking. The hybrid ZIF-67@P-CNF membrane exhibits superior properties than a polyolefin-based commercial separator (CS) in terms of enhanced thermal and dimensional stability, flame-retardant properties, better surface wettability, and improved electrolyte uptake. Thermal dimensional stability tests revealed that the ZIF-67@P-CNF separator maintained its structure even at 200 °C, whereas CS suffered severe shrinkage, potentially leading to internal short circuits. Combustion tests showed a peak heat release rate (PHRR) of 34.5 W/g and a total heat release (THR) of 1.61 kJ/g for ZIF-67@P-CNF, significantly lower than the PHRR (1111.82 W/g) and THR (40.89 kJ/g) of CS. The composite separator also demonstrated significantly improved wettability, with a contact angle of 32 ± 1.04°, compared to 92 ± 1.07° for CS, highlighting its hydrophilic nature. Electrochemical evaluations in LiFePO 4 /Li half-cells indicated a higher discharge capacity of 149 mA h g -1 at 0.2 C and superior capacity retention of 86% after 50 cycles, outperforming CS (145 mA h g -1 and 84%, respectively). In conclusion, these results underscore the potential of the ZIF-67@P-CNF membrane to advance safe, high-performance LIBs by addressing critical challenges in thermal stability, flame retardancy, and electrolyte compatibility.

ZIF-67↗
NASA NTRS1986

Thermal testing by internal IR heating of the FEP module

A spacecraft module, to be integrated with the FLTSATCOM spacecraft, was tested in a simulated orbit environment separate from the host spacecraft. Thermal vacuum testing of the module was accomplished using internal IR heating rather than conventional external heat sources. For this configuration, the technique produced boundary conditions expected for flight to enable verification of system performance and thermal design details.

Nathanson, D. M.↗
NASA NTRS2005

Orbiter Repair Maneuver Contingency Separation Methods and Analysis

Repairing damaged thermal protection system tile requires the Space Shuttle to be oriented such that repair platform access from the International Space Station (ISS) is possible. To do this, the Space Shuttle uses the Orbiter Repair Maneuver (ORM), which utilizes the Shuttle Remote Manipulator System (SRMS) to rotate the Space Shuttle in relation to the ISS, for extended periods of time. These positions cause difficulties and challenges to performing a safe separation (no collision or thruster plume damage to sensitive ISS structures) should an inadvertent release occur or a contingency procedure require it. To help protect for an SRMS failure or other failures, a method for separating without collision and the ability to redock to ISS from the ORM configuration was needed. The contingency ORM separation solution elegantly takes advantage of orbital mechanics between ISS and the separating Space Shuttle. By pitching the ISS down approximately 45 degrees, in a majority of the ORM repair positions, the altitude difference between the ISS and Space Shuttle center of gravity is maximized. This altitude difference results in different orbital energies (orbital periods) causing objects to separate from each other without requiring translational firings. Using this method, a safe contingency ORM separation is made possible in many odd positions even though some separation positions point high powered thrusters directly at fragile ISS and Soyuz solar arrays. Documented in this paper are the development simulations and procedures of the contingency ORM separation and the challenges encountered with large constraints to work around. Lastly, a method of returning to redock with the ISS to pick up the stranded crew members (or transfer the final crew members) is explained as well as the thruster and ISS loads analysis.

Machula, Michael↗
DOE OSTI2024

Ion‐Specific Interactions Engender Dynamic and Tailorable Properties in Biomimetic Cationic Polyelectrolytes

Abstract Biomaterials such as spider silk and mussel byssi are fabricated by the dynamic manipulation of intra‐ and intermolecular biopolymer interactions. Organisms modulate solution parameters, such as pH and ion co‐solute concentration, to effect these processes. These biofabrication schemes provide a conceptual framework to develop new dynamic and responsive abiotic soft material systems. Towards these ends, the chemical diversity of readily available ionic compounds offers a broad palette to manipulate the physicochemical properties of polyelectrolytes via ion‐specific interactions. In this study, we show for the first time that the ion‐specific interactions of biomimetic polyelectrolytes engenders a variety of phase separation behaviors, creating dynamic thermal‐ and ion‐responsive soft matter that exhibits a spectrum of physical properties, spanning viscous fluids to viscoelastic and viscoplastic solids. These ion‐dependent characteristics are further rendered general by the merger of lysine and phenylalanine into a single, amphiphilic vinyl monomer. The unprecedented breadth, precision, and dynamicity in the reported ion‐dependent phase behaviors thus introduce a broad array of opportunities for the future development of responsive soft matter; properties that are poised to drive developments in critical areas such as chemical sensing, soft robotics, and additive manufacturing.

Aubrecht, Filip J.↗
DOE OSTI2025

Uncertainty improvement of 22 Na based radioactive tracer dilution for determining total mass of pyroprocessing molten salt systems by 154 Eu removal

To determine the total salt mass of the molten salt systems for pyroprocessing spent nuclear fuels, a 22 Na based radioactive tracer dilution was studied in Idaho National Laboratory in recent years. This 22 Na based RTD technique was deemed feasible, but due to the gamma energy peak of 22 Na coinciding with one of the energy peaks of 154 Eu radioisotope in the molten salt, the uncertainty of the 22 Na radioactivity in the 22 Na-spiked salt samples was quite high. To improve the uncertainty of the 22 Na based RTD technique, we proposed to chemically remove the 154 Eu of the salt samples by DGA resin for gamma spectroscopy. The effectiveness of removing 154 Eu on uncertainty improvement was evaluated. Furthermore, it was found that (1) the 154 Eu fission product effect on the uncertainty and detection limit can be effectively eliminated by chemically removing the 154 Eu during the salt sample preparation and (2) the uncertainty of 22 Na radioactivity in the salt samples for electrorefining was significantly improved from 13% to 2%, showing the potential of practical engineering application of 22 Na based RTD as a safeguards technique for molten salt systems for pyroprocessing spent nuclear fuels.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Molecular simulation of the separation of toluene and p-xylene with the thermally-robust ionic liquid triphenyl-p-phenyl sulfonyl phenyl phosphonium

In this work, we use molecular dynamics simulations to evaluate the behavior of toluene (TOL) and p-xylene (XYL) within three different solvents: n -hexane (HEX), n -heptane (HEP), and a thermally-robust ionic liquid (triphenyl-p-phenyl sulfonyl phenyl phosphonium + bis(trifluoromethylsulfonyl)imide (TPSP + Tf 2 N)). Several different temperatures are explored, while the solvation structures, energetics, and dynamics of TOL and XYL are evaluated. The solvation free energy (ΔG solv ) and transfer free energy (ΔG transfer ) of TOL and XYL are calculated using thermodynamic integration (TI). The transfer free energy of XYL from HEP/HEX to TPSP + Tf 2 N is more favorable than that of TOL over the entire temperature range, while the transfer of both TOL and XYL becomes less favorable as the temperature increases. The diffusion rates of TOL and XYL are lower in the ionic liquid when compared to HEP and HEX, but the thermal stability of TPSP + Tf 2 N may allow for higher operating temperatures and accelerated mass transport rates.

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

Unveiling damage mechanisms of chromium-coated zirconium-based fuel claddings at LWR operating temperature by in-situ digital image correlation

Here, we investigate the coupled thermomechanical fracture mechanisms of coated nuclear fuel claddings at Light Water Reactor (LWR) operating temperatures. These coated claddings are a highly attractive, near-term solution, which addresses the demands for accident-tolerant fuel systems and provide greater oxidation resistance. However, the fracture mechanisms of these coatings, which may create channels for oxidation ingression, must be fully understood prior to implementation. Thus, high-temperature expanding plug experiments were conducted on coated cladding specimens at a temperature of 315 °C, consistent with the operating environment of LWRs. Furthermore, in-situ thermomechanical deformation was measured with stereo digital image correlation during heating and mechanical testing to separately resolve contributions of thermal and mechanical strain. Digital image correlation, supported by acoustic emissions (AE) detection, was also leveraged to track cracking activity during loading. Coating fracture was found to initiate at total hoop strains of 0.34%. The thermal deformation of the coated claddings was investigated via finite element simulations, revealing a bidirectional stress-state within the coating with axial and circumferential strains of 0.026 and 0.031%. This bidirectional stress-state was attributed with the generation of off-axis fracture pattern within the coating as identified via post-experiment scanning electron microscopy. Thus, this study unveiled critical, coupled thermomechanical mechanisms governing the coating fracture of coated claddings at LWR temperatures.

36 MATERIALS SCIENCE↗