SEARCH · Engineering Papers

Results for “transfer entropy”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 109 records · Page 6

All sources NASA NTRS DOE OSTI

DOE OSTI2025

A single-ion-conducting polymer and high-entropy Li-garnet composite electrolyte with simultaneous enhancement in ion transport and mechanical properties

Enabling the lithium metal anode has been the holy grail for improving the energy density for the next generation advanced batteries. Developing electrolytes that will suppress Li dendrite growth and provide sufficient ionic conductivity remains a major challenge in this field. In this study, we develop a polymer–ceramic composite electrolyte for lithium metal batteries. The polymer matrix is a vinyl ethylene carbonate (VEC) based single-ion-conducting polymer electrolyte. The ceramic filler is a Li 7 La 3 Zr 0.5 Nb 0.5 Ta 0.5 Hf 0.5 O 12 high-entropy Li-garnet (HE Li-garnet) ceramic, which is less prone to surface Li 2 CO 3 formation compared to Al-doped Li garnets. The addition of HE Li-garnet leads to a 7-fold increase in the ionic conductivity (8.6 × 10 −5 S cm −1 at 30 °C) compared to the pure polymer, while maintaining a high Li + transference of 0.73. Proton nuclear magnetic resonance and thermogravimetric analysis results suggest that the addition of HE Li-garnet results in a lower degree of polymerization of VEC, leaving more unpolymerized VEC monomers in the matrix, serving as the governing mechanism for conductivity enhancement. The favorable interactions between HE Li-garnet particles and the polymer matrix lead to a stable and well-mixed composite with 2-fold enhancement of storage modulus at 40 °C. The simultaneous ion transport and mechanical property enhancement significantly improves the composite electrolyte's dendrite resistance and cycle life in Li symmetric cells. This work highlights the positive role HE Li-garnet can play in improving polymer electrolytes to enable lithium metal anodes.

Ock, Ji-young [Oak Ridge National Laboratory (ORNL↗

NASA NTRS1990

Heat transfer in space systems; Proceedings of the Symposium, AIAA/ASME Thermophysics and Heat Transfer Conference, Seattle, WA, June 18-20, 1990

Theoretical and experimental studies of heat-tranfer in a space environment are discussed in reviews and reports. Topics addressed include a small-scale two-phase thermosiphon to cool high-power electronics, a low-pressure-drop heat exchanger with integral heat pipe, an analysis of the thermal performance of heat-pipe radiators, measurements of temperature and concentration fields in a rectangular heat pipe, and a simplified aerothermal heating method for axisymmetric blunt bodies. Consideration is given to entropy production in a shock wave, bubble-slug transition in a two-phase liquid-gas flow under microgravity, plasma arc welding under normal and zero gravity, the Microgravity Thaw Experiment, the flow of a thin film on stationary and rotating disks, an advanced ceramic fabric body-mounted radiator for Space Station Freedom phase 0 design, and lunar radiators with specular reflectors.

Chan, S. H.↗

DOE OSTI2025

Dehydration of Methyl Lactate on Alkali Cation-Exchanged Faujasite: Effects of Metal Cation Identity and Water Pressure

Turnover rates for the catalytic dehydration of methyl lactate (ML) over ion-exchanged faujasite (FAU) catalysts depend on the identity of alkali metal cations (Na + , K + , Cs + ) and local solvation effects. Analysis of rate measurements and in situ infrared spectroscopy gives evidence that the reaction involves kinetically relevant dissociation of adsorbed methyl lactate upon alkali metal cations. This process involves concerted methyl transfer to the surface and dissociation of the alkali metal from the framework, which occurs at cationic active sites that remain predominantly unoccupied under relevant conditions (0.5–10 kPa ML, 0.5–15 kPa H 2 O, 563–583 K). Despite the mechanistic similarities, apparent activation enthalpies (ΔH app ‡ ) decrease linearly (47 kJ mol –1 from Na + to Cs + ) with ionization energy and cationic radius, and apparent activation entropies (ΔS app ‡ ) decrease 74 J mol –1 K –1 . These trends reflect electrostatic interactions that stabilize the cations to the anionic sites on the zeolite: stronger association between these charges leads to increasingly endothermic processes to displace the alkali metal to form a cationic methoxy and an intrapore metal lactate intermediate. Water physisorption measurements suggest alkali metal ions bind superstoichiometric quantities of water within FAU pores, and in situ infrared spectra suggest the concerted adsorption of ML requires reorganization of this water. Consequently, these processes introduce entropic gains that partially offset entropy losses associated with ML adsorption. Hence, turnover rates differ only by a factor of 2 among Na-, K-, and Cs-FAU at 573 K (ΔΔG app ‡ = 5 kJ mol –1 ). These findings demonstrate the interplay of alkali metal ions with zeolite active sites and intrapore water clusters for ML dehydration, indicating that these interactions can be leveraged to deliver optimal performance under different reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Three rate-determining protein roles in photosynthetic O 2 -evolution addressed by time-resolved experiments on genetically modified photosystems

Light-driven water splitting by plants, algae and cyanobacteria is pivotal for global bioenergetics and biomass formation. A manganese cluster bound to the photosystem II proteins catalyzes the complex reaction at high rate, but the rate-determining factors are insufficiently understood. Here we trace the oxygen-evolution transition by time-resolved polarography and infrared spectroscopy for cyanobacterial photosystems genetically modified at two strategic sites, complemented by computational chemistry. Our results highlight three rate-determining roles of the protein environment of the metal cluster: acceleration of proton-coupled electron transfer, acceleration of substrate-water insertion after O 2 -formation, and balancing of rate-determining enthalpic and entropic contributions. Whereas in general the substrate-water insertion step may be unresolvable in time-resolved experiments, here it likely becomes traceable because of deceleration by genetic modification. Our results may stimulate new time-resolved experiments on substrate-water insertion in photosynthesis, clarification of enthalpy-entropy compensation in enzyme catalysis, and knowledge-guided development of inorganic catalyst materials.

Bioenergetics↗

DOE OSTI2025

Roadmap on thermodynamics and thermal metamaterials

Thermal metamaterials represent a transformative paradigm in modern physics, synergizing thermodynamic principles with metamaterial engineering to master heat flow at will. As next-generation technologies demand multi-scale thermal control, this field urgently requires systematic frameworks to unify its multidisciplinary advances. Curated through a global collaboration involving over 50 specialists across 25 subdisciplines, this review primarily summarizes two decades of advancements, ranging from theoretical breakthroughs to functional implementations. The review reveals groundbreaking innovations in heat manipulation through the exploration of both classical and non-classical transport regimes, topological thermal control mechanisms, and quantum-informed phonon engineering strategies. By bridging physical insights like non-Hermitian thermal dynamics and valleytronic phonon transport with cutting-edge applications, we demonstrate paradigm-shifting capabilities: environment-adaptive thermal cloaks, AI-optimized metamaterials, and nonlinear thermal circuits enabling heat-based computation. Experimental milestones include 3D thermal null media with reconfigurable invisibility and thermal designs breaking classical conductivity limits. Here, this collaborative effort establishes an indispensable roadmap for physicists, highlighting pathways to quantum thermal management, entropy-controlled energy systems, and topological devices. As thermal metamaterials transition from laboratory marvels to technological cornerstones, this work provides the foundational lexicon and design principles for the coming era of intelligent thermal matter.

heat conduction control↗

NASA NTRS1989

Conservation equations and physical models for hypersonic air flows over the aeroassist flight experiment vehicle

The code development and application program for the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA), with emphasis directed toward support of the Aeroassist Flight Experiment (AFE) in the near term and Aeroassisted Space Transfer Vehicle (ASTV) design in the long term is reviewed. LAURA is an upwind-biased, point-implicit relaxation algorithm for obtaining the numerical solution to the governing equations for 3-D, viscous, hypersonic flows in chemical and thermal nonequilibrium. The algorithm is derived using a finite volume formulation in which the inviscid components of flux across cell walls are described with Roe's averaging and Harten's entropy fix with second-order corrections based on Yee's Symmetric Total Variation Diminishing scheme. Because of the point-implicit relaxation strategy, the algorithm remains stable at large Courant numbers without the necessity of solving large, block tri-diagonal systems. A single relaxation step depends only on information from nearest neighbors. Predictions for pressure distributions, surface heating, and aerodynamic coefficients compare well with experimental data for Mach 10 flow over an AFE wind tunnel model. Predictions for the hypersonic flow of air in chemical and thermal nonequilibrium over the full scale AFE configuration obtained on a multi-domain grid are discussed.

Gnoffo, Peter A.↗

DOE OSTI2026

Spinel high-entropy oxides (FeNiCrMnZnX) 3 O 4 (X = Al, mg) as anode materials for high-performance lithium-ion batteries

To address the high cost, cobalt dependency, and resource constraints typical of conventional high-entropy oxide (HEO) anodes, this study reports the successful synthesis of two Co-free, six-component spinel-type HEOs(FeNiCrMnZnAl) 3 O 4 (HEO-Al) and (FeNiCrMnZnMg) 3 O 4 (HEO-Mg), via a sol-gel method. The distinct effects of Al 3+ and Mg 2+ incorporation on the electrochemical performance and lithium storage kinetics were systematically investigated. XRD, Raman, and TEM characterizations confirm that both materials possess a pure spinel phase, uniform particle size, and homogeneous elemental distribution. Notably, electrochemical evaluations reveal that HEO-Al delivers a superior reversible capacity of 480.7 mAh g −1 after 100 cycles at 0.1 A g −1 , and maintains 354.5 mAh g −1 after 1000 long-term cycles at 1 A g −1 , significantly outperforming HEO-Mg. Kinetic analysis indicates that HEO-Al exhibits lower charge transfer resistance, a higher Li + diffusion coefficient, and a pseudocapacitive contribution of up to 82%. Furthermore, these findings demonstrate that Al substitution effectively optimizes the structural stability and lithium storage kinetics of Co-free HEOs, providing a viable strategy for designing low-cost, highly stable HEO anode systems.

Anode materials↗

DOE OSTI2024

Impact of Synthetic Parameters on Structure and Electrochemistry of High-Entropy Layered Oxide LiNi 0.2 Co 0.2 Mn 0.2 Al 0.2 Fe 0.2 O 2

Here, this study explored a high-entropy layered oxide (HELO), LiNi 0.2 Co 0.2 Mn 0.2 Al 0.2 Fe 0.2 O 2 , prepared by coprecipitation followed by heat treatment. Coprecipitation yielded a kinetically favored product, and the subsequent heat treatment under various temperatures and times allowed tuning the material toward more thermodynamically favored structures. Refinement of X-ray powder diffraction (XRD) revealed that after 450 °C treatment, ~12% of the Ni 2+ in the structure was located within the lithium cation layer. After heat treatment at 600, 700, and 800 °C, there was a continued decrease of Ni 2+ in the lithium cation layer to 9.3, 6.3, and 3.7%, respectively. Longer heat treatment times at 800 °C decreased the level to 2.5%. Electrochemical behavior was evaluated by cyclic voltammetry, galvanostatic cycling, rate capability testing, and electrochemical impedance spectroscopy, where increased loaded voltage, functional capacity, rate capability, and decreased impedance were observed for samples treated at higher temperatures with lower cation mixing. X-ray absorption near edge spectroscopy (XANES) data indicated that the redox activity of Ni and Co was dominant in the electrochemistry, while the participation of Mn or Fe was minimal. The level of Ni oxidation state change between charge and discharge related to the heat treatment temperature where the samples with high cation mixing showed lower capacity consistent with some Ni 3+ in the transition metal layer inaccessible for electron transfer. Longer heat treatment times at 800 °C did not continue to provide a benefit in electrochemical function even with some additional reduction in cation mixing.

25 ENERGY STORAGE↗

NASA NTRS1995

The Superorbital Expansion Tube concept, experiment and analysis

In response to the need for ground testing facilities for super orbital re-entry research, a small scale facility has been set up at the University of Queensland to demonstrate the superorbital expansion tube concept. This unique device is a free piston driven, triple diaphragm, impulse shock facility which uses the enthalpy multiplication mechanism of the unsteady expansion process and the addition of a secondary shock driver to further heat the driver gas. The pilot facility has been operated to produce quasi-steady test flows in air with shock velocities in excess of 13 km/s and with a usable test flow duration of the order of 15 micro sec. an experimental condition produced in the facility with total enthalpy of 108 MJ/kg and a total pressure of 335 MPa is reported. A simple analytical flow model which accounts for non-ideal rupture of the light tertiary diaphragm and the resulting entropy increase in the test gas is discussed. It is shown that equilibrium calculations more accurately model the unsteady expansion process than calculations assuming frozen chemistry. This is because the high enthalpy flows produced in the facility can only be achieved if the chemical energy stored in the test flow during shock heating of the test gas is partially returned to the flow during the process of unsteady expansion. Measurements of heat transfer rates to a flat plate demonstrate the usability of test flow for aerothermodynamic testing and comparison of these rates with empirical calculations confirms the usable accuracy of the flow model.

Neely, A. J.↗

DOE OSTI2025

Joining Study for Formed Plate Heat Exchangers (CRADA Final Report)

Plate heat exchangers (PHEs) have been used in numerous industrial applications, such as HVAC systems, power generation, transportation and manufacturing. The performance of plate heat exchangers is frequently undermined by corrosion, fouling, and scaling. These phenomena not only diminish heat transfer efficiency but also lead to increased operational costs, maintenance demands, and reduced equipment lifespan. In this project, the team addressed the widespread challenges of corrosion, fouling, and scaling, and explored alternative material solutions. While commonly used materials like stainless steel and titanium offer notable benefits, they can still experience corrosion under certain operating conditions. The advancement of new materials and surface engineering technologies, such as advanced coating, ceramics, composites materials, and high entropy alloys are promising for can help solve these issues, enable longer lifetime and high performance of plate heat exchangers.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

Joining Study for Formed Plate Heat Exchangers (Final Report)

36 MATERIALS SCIENCE↗

NASA NTRS1996

Modeling Orifice Pulse Tube Coolers

We have developed a calculational model that treats all the components of an orifice pulse tube cooler. We base our analysis on 1-dimensional thermodynamic equations for the regenerator and we assume that all mass flows, pressure oscillations and temperature oscillations are small and sinusoidal. Non-linear pressure drop effects are included in the regenerator to account for finite pressure amplitude effects. The resulting mass flows and pressures are matched at the boundaries with the other components of the cooler: compressor, aftercooler, cold heat exchanger, pulse tube, hot heat exchanger, orifice and reservoir. The results of the calculation are oscillating pressures, mass flows and enthalpy flows in the main components of the cooler. By comparing with the calculations of other available models, we show that our model is very similar to REGEN 3 from NIST and DeltaE from Los Alamos National Lab. Our model is much easier to use than other available models because of its simple graphical interface and the fact that no guesses are required for the operating pressures or mass flows. In addition, the model only requires a few minutes of running time allowing many parameters to be optimized in a reasonable time. A version of the model is available for use over the World Wide Web at http://irtek.arc.nasa.gov. Future enhancements include adding a bypass orifice and including second order terms in steady mass streaming and steady heat transfer. A two-dimensional anelastic approximation of the fluid equations will be used as the basis for the latter analysis. Preliminary results are given in dimensionless numbers appropriate for oscillating compressible flows. The model shows how transverse heat transfer reduces enthalpy flow, particularly for small pulse tubes. The model also clearly shows mass recirculation in the open tube on the order of the tube length. They result from the higher order Reynolds stresses. An interesting result of the linearized approach is that the steady mass streaming does not affect the enthalpy flow at second order. The major effect of recirculating mass streaming is to increase transverse temperature gradients, which leads to higher entropy production and reduced efficiency.

Roach, Kittel P.↗

NASA NTRS1983

Preliminary measurements of velocity, density and total temperature fluctuations in compressible subsonic flow

The heat transfer characteristics of a three-wire hot-wire probe operated with a constant temperature anemometer were investigated in the subsonic compressible flow regime. The sensitivity coefficients, with respect to velocity, density and total temperature, were measured and the results were used to calculate the velocity, density, and total temperature fluctuations in the test section of the Langley 0.3-m Transonic Cryogenic Tunnel (TCT). These results were extended to give estimates for fluctuations due to vorticity, sound, and entropy. In addition, attempts were made to determine the major source of disturbances in the 0.3-m TCT.

Stainback, P. C.↗

NASA NTRS2022

Interaction of a Tunnel-like Acoustic Disturbance Field with a Blunt Cone Boundary Layer at Mach 8

The existing measurements of laminar-to-turbulent transition over circular cones in conventional (i.e., “noisy”) hypersonic wind tunnels have established that the transition location moves downstream when the nose radius is increased from zero. However, this initially downstream movement slows down and ultimately reverses beyond a critical value of the nose radius, and may be related to external forcing in the form of freestream disturbances and/or surface roughness. To understand the effects of freestream acoustic disturbances on transition reversal over a blunt body, hypersonic boundary-layer receptivity to broadband freestream acoustic disturbances from the nozzle wall of a digital conventional wind tunnel is investigated by both direct numerical simulations (DNS) and modal and nonmodal stability analysis. A Mach 8 flow over a 7 deg half-angle cone with a nose radius of 𝑅 𝑛 = 5.2mm and freestream Reynolds number of 12.2 × 10 6 m -1 is considered. The results show that the broadband tunnel noise in the free stream of a convectional hypersonic wind tunnel (i.e., outside of the nozzle-wall turbulent boundary layer) can be well represented by an acoustic model with an ansatz of slow acoustic waves. With successful calibration of the model parameters against the precursor tunnel DNS, such an acoustic ansatz can successfully reproduce both the frequency-wavenumber spectra and the temporal evolution of the broadband tunnel noise radiated from the nozzle wall. Additionally, the DNS of the Mach 8 blunt cone with tunnel-like acoustic input above the bow shock showed that the spectra of wall-pressure and heat-transfer fluctuations recovers the signature of the axisymmetric waves predicted by the nonmodal analysis. Furthermore, the azimuthal wavenumber and frequency spectrum of the temperature fluctuations as a function of the wall-normal distance show higher amplitudes for three-dimensional waves above the boundary-layer edge. The numerical schlieren contours show the inclined structures commonly observed in blunt cone experiments, demonstrating that they correspond to three-dimensional structures due to freestream disturbances in the presence of an entropy layer.

Boundary layer transition↗

NASA NTRS1993

Interactions among convection, magnetic fields and p-mode oscillations in the sun

Two papers on different aspects of the excitation and damping of solar oscillations were accepted for publication in the Astrophysical Journal. The first paper evaluates the rate at which turbulent convection feeds energy into individual p-modes. It is shown that stochastic excitation by turbulent convection provides a satisfactory fit to the product of the mode energies and linewidths. A somewhat surprising conclusion is that entropy fluctuations are about an order of magnitude more significant than are fluctuations of the Reynolds stress in exciting p-modes. However, entropy fluctuations cannot excite f-modes. This may account for the relatively low energies of the f-modes compared to those of the p-modes. The second paper explores the role of scattering of acoustic modes by turbulent velocity fluctuations. Scattering of a mode is concentrated near the top of its acoustic cavity. Because the turbulence has low Mach number, scattering couples modes having similar frequencies. Its net effects are to increase the linewidths of all modes and to transfer energy from p-modes to f-modes. Scattering is likely to be the dominant source for the linewidths of p-modes. In particular, it may account for the unexpectedly large linewidths measured for low frequency modes. Copies of preprints of the two papers referred to above are attached. The remainder of the report is devoted to a description of unpublished results.

Goldreich, Peter↗

NASA NTRS2004

Investigation of Injector Slot Geometry on Curved-Diffuser Aerodynamic Performance

The Compressor Branch vision is to be recognized as world-class leaders in research for fluid mechanics of compressors. Its mission is to conduct research and develop technology to advance the state of the art of compressors and transfer new technology to U.S. industries. Maintain partnerships with U.S. industries, universities, and other government organizations. Maintain a balance between customers focused and long range research. Flow control comprises enabling technologies to meet compression system performance requirements driven by emissions and fuel reduction goals (e.g., in UEET), missions (e.g., access-to-space), aerodynamically aggressive vehicle configurations (e.g., UAV and future blended wing body configurations with highly distorted inlets), and cost goals (e.g., in VAATE). The compression system requirements include increased efficiency, power-to-weight, and adaptability (i.e., robustness in terms of wide operability, distortion tolerance, and engine system health and reliability). The compressor flow control task comprises efforts to develop, demonstrate, and transfer adaptive flow control technology to industry to increase aerodynamic loading at current blade row loss levels, to enable adaptive1 y wide operability, and to develop plant models for adaptive compression systems. In this context, flow control is the controlled modification of a flow field by a deliberate means beyond the natural (uncontrolled) shaping of the solid surfaces that define the principal flow path. The objective of the compressor flow control task is to develop and apply techniques that control circulation, aerodynamic blockage, and entropy production in order to enhance the performance and operability of compression systems for advanced aero-propulsion applications. This summer I would be working with a curved-diffuser because it simulates what happens with flow in the stator blades in the compressor. With this experiment I will be doing some data analysis and parametric study of the injector slot geometries to get the best aerodynamic performance of it. This includes some data reduction, redesign and fast prototyping of the injector nozzle.

Silva, Odlanier↗

NASA NTRS2018

Hybrid Reduced Order Model for N2-N2 Interactions for Application to Dissociation and Energy Transfer Processes

Recent work in the aerothermodynamics community has focused on the development of reduced-order models for thermo-chemical non-equilibrium which avoid the restrictive assumptions of multi-temperature models and the prohibitive cost associated with State-to-State (StS) models. In the present work, this is accomplished by lumping energy states together and assuming groups of states are roughly in equilibrium. As a result, the non-equilibrium behavior of a gas can be captured at a reduced computational cost from a full StS simulation. In this work, we present a hybrid grouping model for studying energy transfer and dissociation in a mixture of nitrogen molecules due to N2-N2 reactions. This is accomplished by making use of a grouping strategy informed by data from the N2-N StS kinetic data. However, due to the massive computational cost associated with constructing StS data for the N2-N2 system, the kinetic data for the hybrid grouping model are calculated using the quasi-classical trajectory (QCT) method by sampling states for trajectory within the groups. This general framework is called the Maximum-Entropy Quasi-Classical Trajectory (ME-QCT) method. The primary challenge associated with this method is that rates for reverse grouped reactions cannot be obtained through detailed balance at a group level, due to the variation of group internal temperatures. To construct the full model for N2-N2 grouped kinetics using the ME-QCT method, detailed balance is invoked at the microscopic level, allowing for the calculation of the full kinetic data from QCT. Results will be presented using the full ME-QCT model for the N2-N2 system in an isothermal and isochoric reactor simulation. In addition, simple CFD test cases for a one-dimensional standing shock and for a quasi-one-dimensional nozzle will be used for demonstration of the ME-QCT method. This method allows for the calculation of non-equilibrium behavior for the N2-N2 system without the prohibitive cost of a full StS simulation. Moreover, it enables the construction of a unified model for the dissociating and recombining non-equilibrium flows.

nonequilibrium modeling↗

DOE OSTI2026

Solvent Reorganization and Surface–Species Interactions Control Transfer Hydrogenation Rates in Sn-Beta Zeolites

Reorganization of confined alcohol networks reshapes adsorption and activation thermodynamics in Lewis acid zeolites, yet the roles of adsorbate sterics and non-H-bonding cosolvents remain unclear. Here, we investigate transfer hydrogenation of methyl- (mCH) and tert-butylcyclohexanone (tbCH) with 2-butanol over hydrophobic Sn-Beta. First-order rates per defect-open Sn site are 2–5× higher for mCH than tbCH, but converge in the zero-order regime (333–393 K), indicating that solvent reorganization entropically drives adsorption, while bond activation is insensitive to ketone structure. Reactions in toluene or acetonitrile (with 1 M 2-butanol) show that intraporous solvent organization governs transition-state stabilization: on hydrophobic Sn-Beta, apparent enthalpies and entropies rise with decreasing solvent polarity, whereas hydrophilic zeolites display nearly constant barriers across solvents. Liquid-phase IR spectroscopy corroborates these trends, showing that hydrophilic pores enforce 2-butanol-like solvation environments even in toluene. Together, these results reveal how zeolite pores regulate the intraporous solvent structure, whose reorganization upon adsorption reshapes the thermodynamic landscape of Lewis acid catalysis

Adsorption↗