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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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NASA NTRS1988

Extrema principles of entrophy production and energy dissipation in fluid mechanics

A survey is presented of several extrema principles of energy dissipation as applied to problems in fluid mechanics. An exact equation is derived for the dissipation function of a homogeneous, isotropic, Newtonian fluid, with terms associated with irreversible compression or expansion, wave radiation, and the square of the vorticity. By using entropy extrema principles, simple flows such as the incompressible channel flow and the cylindrical vortex are identified as minimal dissipative distributions. The principal notions of stability of parallel shear flows appears to be associated with a maximum dissipation condition. These different conditions are consistent with Prigogine's classification of thermodynamic states into categories of equilibrium, linear nonequilibrium, and nonlinear nonequilibrium thermodynamics; vortices and acoustic waves appear as examples of dissipative structures. The measurements of a typical periodic shear flow, the rectangular wall jet, show that direct measurements of the dissipative terms are possible.

Horne, W. Clifton↗
NASA NTRS1988

Extrema principles of entropy production and energy dissipation in fluid mechanics

A survey is presented of several extrema principles of energy dissipation as applied to problems in fluid mechanics. An exact equation is derived for the dissipation function of a homogeneous, isotropic, Newtonian fluid, with terms associated with irreversible compression or expansion, wave radiation, and the square of the vorticity. By using entropy extrema principles, simple flows such as the incompressible channel flow and the cylindrical vortex are identified as minimal dissipative distributions. The principal notions of stability of parallel shear flows appear to be associated with a maximum dissipation condition. These different conditions are consistent with Prigogine's classification of thermodynamic states into categories of equilibrium, linear nonequilibrium, and nonlinear nonequilibrium thermodynamics; vortices and acoustic waves appear as examples of dissipative structures. The measurements of a typical periodic shear flow, the rectangular wall jet, show that direct measurements of the dissipative terms are possible.

Horne, W. Clifton↗
NASA NTRS2007

A Low-Complexity Circuit for On-Sensor Concurrent A/D Conversion and Compression

A low-complexity circuit for on-sensor compression is presented. The proposed circuit achieves complexity savings by combining a single-slope analog-to-digital converter with a Golomb-Rice entropy encoder and by implementing a low-complexity adaptation rule. The adaptation rule monitors the output codewords and minimizes their length by incrementing or decrementing the value of the Golomb-Rice coding parameter k. Its hardware implementation is one order of magnitude lower than existing adaptive algorithms. The compression circuit has been fabricated using a 0.35 micrometers CMOS technology and occupies an area of 0.0918 mm2. Test measurements confirm the validity of the design

Leon-Salas, Walter D.↗
NASA NTRS1987

Planning assembly/disassembly operations for space telerobotics

Space telerobotic systems will perform complex tasks of assembly, disassembly, and repair of space-based equipment. Planning such tasks requires reasoning about the functional, physical, and geometrical properties of the equipment, as well as a representation of the characteristics and capabilities of the manipulators and sensors available for the task. The And/Or graph is a useful approach to representation of feasible assembly/disassembly sequences and provides the basis for search among alternative strategies. The paper describes the use of parts entropy measures as evaluation criteria for search in the And/Or graph space. This approach leads to candidate task plans which minimize the complexity of intermediate geometrical states.

Sanderson, Arthur C.↗
NASA NTRS1991

Aeroacoustic and aerodynamic applications of the theory of nonequilibrium thermodynamics

Recent developments in the field of nonequilibrium thermodynamics associated with viscous flows are examined and related to developments to the understanding of specific phenomena in aerodynamics and aeroacoustics. A key element of the nonequilibrium theory is the principle of minimum entropy production rate for steady dissipative processes near equilibrium, and variational calculus is used to apply this principle to several examples of viscous flow. A review of nonequilibrium thermodynamics and its role in fluid motion are presented. Several formulations are presented of the local entropy production rate and the local energy dissipation rate, two quantities that are of central importance to the theory. These expressions and the principle of minimum entropy production rate for steady viscous flows are used to identify parallel-wall channel flow and irrotational flow as having minimally dissipative velocity distributions. Features of irrotational, steady, viscous flow near an airfoil, such as the effect of trailing-edge radius on circulation, are also found to be compatible with the minimum principle. Finally, the minimum principle is used to interpret the stability of infinitesimal and finite amplitude disturbances in an initially laminar, parallel shear flow, with results that are consistent with experiment and linearized hydrodynamic stability theory. These results suggest that a thermodynamic approach may be useful in unifying the understanding of many diverse phenomena in aerodynamics and aeroacoustics.

Horne, W. Clifton↗
NASA NTRS2003

First Year Wilkinson Microwave Anisotropy Probe (WMAP) Observations: Foreground Emission

The WMAP mission has mapped the full sky to determine the geometry, content, and evolution of the universe. Full sky maps are made in five microwave frequency bands to separate the temperature anisotropy of the cosmic microwave background (CMB) from foreground emission, including diffuse Galactic emission and Galactic and extragalactic point sources. We define masks that excise regions of high foreground emission, so CMB analyses can became out with minimal foreground contamination. We also present maps and spectra of the individual emission components, leading to an improved understanding of Galactic astrophysical processes. The effectiveness of template fits to remove foreground emission from the WMAP data is also examined. These efforts result in a CMB map with minimal contamination and a demonstration that the WMAP CMB power spectrum is insensitive to residual foreground emission. We use a Maximum Entropy Method to construct a model of the Galactic emission components. The observed total Galactic emission matches the model to less than 1% and the individual model components are accurate to a few percent. We find that the Milky Way resembles other normal spiral galaxies between 408 MHz and 23 GHz, with a synchrotron spectral index that is flattest (beta(sub s) approx. -2.5) near star-forming regions, especially in the plane, and steepest (beta(sub s) approx. -3) in the halo. This is consistent with a picture of relativistic cosmic ray electron generation in star-forming regions and diffusion and convection within the plane. The significant synchrotron index steepening out of the plane suggests a diffusion process in which the halo electrons are trapped in the Galactic potential long enough to suffer synchrotron and inverse Compton energy losses and hence a spectral steepening. The synchrotron index is steeper in the WMAP bands than in lower frequency radio surveys, with a spectral break near 20 GHz to beta(sub s) less than -3. The modeled thermal dust spectral index is also steep in the WMAP bands, with beta(sub d) approx. = 2.2. Our model is driven to these conclusions by the low level of total foreground contamination at approx. 60 GHz. Microwave and Ha measurements of the ionized gas agree well with one another at about the expected levels. Spinning dust emission is limited to less than 5% of the Ka-band foreground emission. A catalog of 208 point sources is presented. The reliability of the catalog is 98%, i.e., we expect five of the 208 sources to be statistically spurious. The mean spectral index of the point sources is alpha approx. 0(beta approx. -2). Derived source counts suggest a contribution to the anisotropy power from unresolved sources of (15.0 +/- 1.4) x 10(exp -3)micro sq K sr at Q-band and negligible levels at V-band and W-band. The Sunyaev-Zeldovich effect is shown to be a negligible "contamination" to the maps.

Bennett, C. L.↗
DOE OSTI2023

Measures of complexity and entanglement in many-fermion systems

There is no unique and widely accepted definition of the complexity measure (CM) of a many-fermion wave function in the presence of interactions. The simplest many-fermion wave function is a Slater determinant. In shell-model or configuration interaction (CI) and other related methods, the state is represented as a superposition of a large number of Slater determinants, which in the case of CI calculations reaches about 20 billion terms [Johnson, arXiv:1809.07869]. Although in practice this number has been used as a CM for decades, it is ill defined: it is not unique, and it depends on the particular type and the number of single-particle wave functions used to construct the Slater determinants. Further, the canonical wave functions and/or natural orbitals [Löwdin, Adv. Phys. 5, 1 (1956); Löwdin and Shull, Phys. Rev. 101, 1730 (1956); Bardeen et al., Phys. Rev. 108, 1175 (1957); N. N. Bogoljubov, Il Nuovo Cimento 7, 794 (1958); Valatin, Il Nuovo Cimento 7, 843 (1958); de Gennes, Superconductivity of Metals and Alloys (CRC Press, Boca Raton, FL, 1999); Ring and Schuck, The Nuclear Many-Body Problem, 1st ed. (Springer-Verlag, Berlin, 2004)] and their corresponding occupation probabilities are intrinsic properties of any many-body wave function, irrespective of the representation, and they provide a unique solution to characterize the CM. The non-negative orbital entanglement entropy, which vanishes for a Slater determinant, provides the simplest CM, while a more complete measure of complexity is the entanglement spectrum. We illustrate these aspects in the case of a complex nonequilibrium time-dependent process, induced nuclear fission described within a real-time density functional theory framework extended to superfluid systems, which can describe simultaneously the long-range and the short-range correlations between fermions. The orbital entanglement entropy of the fissioning nucleus illustrates the localization mechanism of the many-body wave function in Fock and/or Hilbert space. The (minimal) number of Slater determinants required to represent such a complex many-body wave function with a well-defined number of particles in the case presented here is about 10 500 . The realistic case of the highly nonequilibrium nuclear fission process illustrated here is equivalent to a system of 23.328×10 9 interacting quantum spin-1/2 particles, a very large system for the study of quantum entanglement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Quantum maximin surfaces

We formulate a quantum generalization of maximin surfaces and show that a quantum maximin surface is identical to the minimal quantum extremal surface, introduced in the EW prescription. We discuss various subtleties and complications associated to a maximinimization of the bulk von Neumann entropy due to corners and unboundedness and present arguments that nonetheless a maximinimization of the UV-finite generalized entropy should be well-defined. We give the first general proof that the EW prescription satisfies entanglement wedge nesting and the strong subadditivity inequality. In addition, we apply the quantum maximin technology to prove that recently proposed generalizations of the EW prescription to nonholographic subsystems (including the so-called “quantum extremal islands”) also satisfy entanglement wedge nesting and strong subadditivity. Our results hold in the regime where backreaction of bulk quantum fields can be treated perturbatively in G N h, but we emphasize that they are valid even when gradients of the bulk entropy are of the same order as variations in the area, a regime recently investigated in new models of black hole evaporation in AdS/CFT.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2011

Complexity Management Using Metrics for Trajectory Flexibility Preservation and Constraint Minimization

The growing demand for air travel is increasing the need for mitigating air traffic congestion and complexity problems, which are already at high levels. At the same time new surveillance, navigation, and communication technologies are enabling major transformations in the air traffic management system, including net-based information sharing and collaboration, performance-based access to airspace resources, and trajectory-based rather than clearance-based operations. The new system will feature different schemes for allocating tasks and responsibilities between the ground and airborne agents and between the human and automation, with potential capacity and cost benefits. Therefore, complexity management requires new metrics and methods that can support these new schemes. This paper presents metrics and methods for preserving trajectory flexibility that have been proposed to support a trajectory-based approach for complexity management by airborne or ground-based systems. It presents extensions to these metrics as well as to the initial research conducted to investigate the hypothesis that using these metrics to guide user and service provider actions will naturally mitigate traffic complexity. The analysis showed promising results in that: (1) Trajectory flexibility preservation mitigated traffic complexity as indicated by inducing self-organization in the traffic patterns and lowering traffic complexity indicators such as dynamic density and traffic entropy. (2)Trajectory flexibility preservation reduced the potential for secondary conflicts in separation assurance. (3) Trajectory flexibility metrics showed potential application to support user and service provider negotiations for minimizing the constraints imposed on trajectories without jeopardizing their objectives.

Idris, Husni↗
DOE OSTI2024

The Significant Differences in Solvation Thermodynamics of C1–C3 Oxygenates in Hydrophilic versus Hydrophobic Pores of a Hydrophilic Ti-FAU Zeolite Model

The rates of catalytic reactions have been observed to be dramatically different in zeolites, depending on if they are hydrophobic or hydrophilic. Hypotheses aimed at explaining this behavior have pointed to various solvent molecule and zeolite properties as having influence on entropy. Herein, the influence of various solvent and adsorbate properties on the solvation energies, entropies, and free energies of eleven C1-C3 oxygenates in hydrophobic and hydrophilic pores within a hydrophilic model of Ti-FAU zeolite are tested. The results indicate significant variation in the calculated solvation thermodynamics depending on the adsorbate type, as well as if it is bound within a hydrophobic or hydrophilic pore. Further, while solvation energies are related to solvent-adsorbate interactions, solvation entropies have multiple contributions, and these differ depending on if the adsorbate is in a hydrophobic or hydrophilic pore. Specifically, solvation entropies in hydrophobic pores are related to solvent structural properties, whereas solvation entropies in hydrophilic pores are related to adsorbate polarity. Here, the large range of results obtained from two different pores within one zeolite model with minimal unique adsorption sites suggests that solvation behavior in zeolites is complicated and that the phenomena that control observed performance depend on the zeolite, reaction, and solvent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Efficiency of a model human image code

Hypothetical schemes for neural representation of visual information can be expressed as explicit image codes. Here, a code modeled on the simple cells of the primate striate cortex is explored. The Cortex transform maps a digital image into a set of subimages (layers) that are bandpass in spatial frequency and orientation. The layers are sampled so as to minimize the number of samples and still avoid aliasing. Samples are quantized in a manner that exploits the bandpass contrast-masking properties of human vision. The entropy of the samples is computed to provide a lower bound on the code size. Finally, the image is reconstructed from the code. Psychophysical methods are derived for comparing the original and reconstructed images to evaluate the sufficiency of the code. When each resolution is coded at the threshold for detection artifacts, the image-code size is about 1 bit/pixel.

Watson, Andrew B.↗
DOE OSTI2024

Efficient simulation of low-temperature physics in one-dimensional gapless systems

Here, we discuss the computational efficiency of the finite-temperature simulation with minimally entangled typical thermal states (METTS). To argue that METTS can be efficiently represented as matrix product states, we present an analytic upper bound for the average entanglement Rényi entropy of METTS for a Rényi index 0 < q ≤ 1. In particular, for one-dimensional (1D) gapless systems described by conformal field theories, the upper bound scales as O⁡(cN 0 ⁢log⁡β) where c is the central charge and N is the system size. Furthermore, we numerically find that the average Rényi entropy exhibits a universal behavior characterized by the central charge and is roughly given by half of the analytic upper bound. Based on these results, we show that METTS can provide a speedup compared to employing the purification method to analyze thermal equilibrium states at low temperatures in 1D gapless systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Double brane holographic model dual to 2d ICFTs

A minimal single brane holographic model can be used as a dual to 2d conformal interfaces (ICFTs) to calculate the transmission coefficient T of energy transported across the defect as well as boundary entropy log g, the additional entanglement entropy for some sub-region that encloses the defect. Both T and log g are uniquely determined by the tension characterizing the brane. In contrast, in field theory defects typically the transmission coefficient can be dialed from 0 to 1 independently for each allowed value of log g. To address this discrepancy, we look at a double brane (3-region bulk) holographic model. Merger of two single brane interfaces creates genuinely new interfaces which indeed allow a range of accessible transmission coefficients for a fixed value of log g. In particular, the T = 0 limit of two completely decoupled BCFTs can be achieved.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1976

Tables and charts of equilibrium thermodynamic properties of ammonia for temperatures from 500 to 50,000 K.

Equilibrium thermodynamic properties for pure ammonia were generated for a range of temperature from 500 to 50,000 K and pressure from 0.01 to 40 MN/sq m and are presented in tabulated and graphical form. Properties include pressure, temperature, density, enthalpy, speed of sound, entropy, molecular-weight ratio, specific heat at constant pressure, specific heat at constant volume, isentropic exponent, and species mole fractions. These properties were calculated by the method which is based on minimization of the Gibbs free energy. The data presented herein are for an 18-species ammonia model. Heats of formation and spectroscopic constants used as input data are presented. Comparison of several thermodynamic properties calculated with the present program and a second computer code is performed for a range of pressure and for temperatures up to 30,000 K.

Simmonds, A. L.↗
DOE OSTI2023

Compositional Modifications to Alter and Suppress Laves Phases in Al x CrMoTa y Ti Alloys

The development of refractory complex concentrated alloys in the Al–Cr–Mo–Ta–Ti alloy system is reported. Alloys with modified Al and Ta concentrations are designed using CALPHAD tools and produced via arc melting and characterized in both as-cast and annealed forms. Properties of the alloys, nature of the microstructures, and phase transformation behavior are described via X-ray diffraction, microstructural characterization, microhardness, and differential scanning calorimetry. Two alloys, namely, Al 0.25 CrMoTa 0.8 Ti and Al 0.75 CrMoTa 0.8 Ti, are represented by a body-centered-cubic matrix phase after annealing, along with a secondary Cr–Ta Laves phase of the C15 and C14 polytypes, respectively. In as-cast and annealed forms, the Al 0.75 CrMoTa 0.45 Ti alloy comprises a single-bcc phase. Microhardness of the Laves phase containing alloys demonstrates susceptibility to cracking, whereas the Al 0.75 CrMoTa 0.45 Ti alloy displays high specific hardness, signs of ductility as evidenced by slip traces near indentations, and minimal scatter of hardness values.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Entropic formation of a thermodynamically stable colloidal quasicrystal with negligible phason strain

Quasicrystals have been discovered in a variety of materials ranging from metals to polymers. Yet, why and how they form is incompletely understood. In situ transmission electron microscopy of alloy quasicrystal formation in metals suggests an error-and-repair mechanism, whereby quasiperiodic crystals grow imperfectly with phason strain present, and only perfect themselves later into a high-quality quasicrystal with negligible phason strain. The growth mechanism has not been investigated for other types of quasicrystals, such as dendrimeric, polymeric, or colloidal quasicrystals. Soft-matter quasicrystals typically result from entropic, rather than energetic, interactions, and are not usually grown (either in laboratories or in silico) into large-volume quasicrystals. Consequently, it is unknown whether soft-matter quasicrystals form with the high degree of structural quality found in metal alloy quasicrystals. Here, we investigate the entropically driven growth of colloidal dodecagonal quasicrystals (DQCs) via computer simulation of systems of hard tetrahedra, which are simple models for anisotropic colloidal particles that form a quasicrystal. Using a pattern recognition algorithm applied to particle trajectories during DQC growth, we analyze phason strain to follow the evolution of quasiperiodic order. As in alloys, we observe high structural quality; DQCs with low phason strain crystallize directly from the melt and only require minimal further reduction of phason strain. Finally, we also observe transformation from a denser approximant to the DQC via continuous phason strain relaxation. Our results demonstrate that soft-matter quasicrystals dominated by entropy can be thermodynamically stable and grown with high structural quality––just like their alloy quasicrystal counterparts.

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

Tracing the green valley with entropic thresholding

ABSTRACT The green valley represents the population of galaxies that are transitioning from the actively star-forming blue cloud to the passively evolving red sequence. Studying the properties of the green valley galaxies is crucial for our understanding of the exact mechanisms and processes that drive this transition. The green valley does not have a universally accepted definition. The boundaries of the green valley are often determined by empirical lines that are subjective and vary across studies. We present an unambiguous definition of the green valley in the colour–stellar mass plane using the entropic thresholding. We first divide the galaxy population into the blue cloud and the red sequence based on a colour threshold that minimizes the intraclass variance and maximizes the interclass variance. Our method splits the region between the mean colours of the blue cloud and the red sequence into three parts by maximizing the total entropy of that region. We repeat our analysis in a number of independent stellar mass bins to define the boundaries of the green valley in the colour–mass diagram. Our method provides a robust and natural definition of the green valley.

Pandey, Biswajit (ORCID:000000017876595X)↗
DOE OSTI2022

Mapping Thermoelectric Transport in a Multicomponent Alloy Space

Abstract Interest in high entropy alloy thermoelectric materials is predicated on achieving ultralow lattice thermal conductivity κ L through large compositional disorder. However, here it is shown that for a given mechanism, such as mass contrast phonon scattering, κ L will be minimized along the binary alloy with highest mass contrast, such that adding an intermediate mass atom to increase atomic disorder can increase thermal conductivity. Only when each component adds an independent scattering mechanism (such as adding strain fluctuation to an existing mass fluctuation) is there a benefit. In addition, both charge carriers and heat‐carrying phonons are known to experience scattering due to alloying effects, leading to a trade‐off in thermoelectric performance. Analytic transport models are applied, based on perturbation and effective medium theories, to predict how alloy scattering will affect the thermal and electronic transport across the full compositional range of several pseudo‐ternary and pseudo‐quaternary alloy systems. To do so, a multicomponent extension is demonstrated to both thermal and electronic binary alloy scattering models based on the virtual crystal approximation. Finally, it is shown that common functional forms used in computational thermodynamics can be applied to this problem to further generalize the scattering behavior that is modeled.

36 MATERIALS SCIENCE↗