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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Chemo‐Mechanical Coupling in Hydrogels: Dynamics in the Diffusion‐Limited Regime

Hydrogels are characterized by substantial volume changes in response to external stimuli, making them promising candidates for developing smart materials with enhanced adaptability and responsiveness. By integrating chemical reactions, hydrogels acquire dynamic and tunable responsiveness to external stimuli through chemo‐mechanical coupling, expanding their potential in emerging applications. However, capturing their transient behavior remains challenging due to the complex interplay of chemical reactions, solvent transport, and polymer network deformation. Classical theories capture equilibrium swelling but fail to describe time‐dependent phenomena. To address this, a time‐dependent continuum model is developed that explicitly couples these processes. Volume phase transition in hydrogels with homogeneous chemical reactions is investigated, then the effects of reaction kinetics on these transitions are analyzed. The coupling of these mechanisms is further explored through a study of transient mechanical instabilities. To illustrate the impact of distinct reaction and diffusion timescales, a photo‐active gripper is studied for robotic applications. Finally, a photo‐active microswimmer that exhibits non‐reciprocal motion is proposed to highlight the solvent diffusion for locomotion at the micro‐ and nano‐ scales. The work establishes that transient dynamics of chemo‐mechanical hydrogels generate functions not accessible by steady state models and provides a predictive platform for designing adaptive materials in emerging applications.

chemo-mechanical coupling↗
DOE OSTI2021

Toward the Development of New Parameterizations for Surface Fluxes

For more than 50 years Monin-Obukhov Similarity Theory (MOST) has been used to represent near-surface exchanges of heat, moisture, and momentum in NWP models. However, limitations of MOST are well-known. In brief, MOST assumes a homogenous near-surface flux layer, which is oftentimes not valid, and suffers from autocorrelation. Limitations such as these motivate the need to modify the functional forms of the similarity equations used to represent fluxes in NWP models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1980

Heat storage in alloy transformations

The theory of eutectic transformation was examined to find guidelines to the best material combinations to examine. The heats of transformation were measured calorimetrically, and the volume changes of expanding solid mixtures and homogeneous liquid solutions, especially during the transformation between the two states at fixed temperature, were measured by changes in X-ray absorption. Heat flow models appropriate to storage in phase change materials were developed along with efficient calculating procedures so that the relative importance of the problems associated with energy storage density, heat conduction, and similar properties could be assessed.

Birchenall, C. E.↗
NASA NTRS1983

A new method to measure homogeneous nucleation rates in shock tubes

The centered expansion wave of a shock tube is utilized to expand and supersaturate a condensable vapor in small concentration in an inert carrier gas. The supersaturated state, located at the rear of the expansion wave, is preserved for a controlled period and then terminated by a recompressing shock wave. During the period of supersaturation, condensation nuclei are formed homogeneously. The nucleation rate is measured as a function of supersaturation by a Mie-light scattering technique. The method is tested using water and the results are compared with classical nucleation theory.

Peters, F.↗
NASA NTRS1992

Application of theoretical models to active and passive remote sensing of saline ice

The random medium model is used to interpret the polarimetric active and passive measurements of saline ice. The ice layer is described as a host ice medium embedded with randomly distributed inhomogeneities, and the underlying sea water is considered as a homogeneous half-space. The scatterers in the ice layer are modeled with an ellipsoidal correlation function. The orientation of the scatterers is vertically aligned and azimuthally random. The strong permittivity fluctuation theory is employed to calculate the effective permittivity and the distorted Born approximation is used to obtain the polarimetric scattering coefficients. We also calculate the thermal emissions based on the reciprocity and energy conservation principles. The effects of the random roughness at the air-ice, and ice-water interfaces are accounted for by adding the surface scattering to the volume scattering return incoherently. The above theoretical model, which has been successfully applied to analyze the radar backscatter data of the first-year sea ice near Point Barrow, AK, is used to interpret the measurements performed in the CRRELEX program.

Han, H. C.↗
NASA NTRS1992

Application of theoretical models to active and passive remote sensing of saline ice

The random medium model is used to interpret the polarimetric active and passive measurements of saline ice. The ice layer is described as a host ice medium embedded with randomly distributed inhomogeneities, and the underlying sea water is considered as a homogeneous half-space. The scatterers in the ice layer are modeled with an ellipsoidal correlation function. The orientation of the scatterers is vertically aligned and azimuthally random. The strong permittivity fluctuation theory is used to calculate the effective permittivity and the distorted Born approximation is used to obtain the polarimetric scattering coefficients. Thermal emissions based on the reciprocity and energy conservation principles are calculated. The effects of the random roughness at the air-ice, and ice-water interfaces are explained by adding the surface scattering to the volume scattering return incoherently. The theoretical model, which has been successfully applied to analyze the radar backscatter data of first-year sea ice, is used to interpret the measurements performed in the Cold Regions Research and Engineering Laboratory's CRRELEX program.

Han, H. C.↗
NASA NTRS2001

On the Definition of Surface Potentials for Finite-Difference Operators

For a class of linear constant-coefficient finite-difference operators of the second order, we introduce the concepts similar to those of conventional single- and double-layer potentials for differential operators. The discrete potentials are defined completely independently of any notion related to the approximation of the continuous potentials on the grid. We rather use all approach based on differentiating, and then inverting the differentiation of a function with surface discontinuity of a particular kind, which is the most general way of introducing surface potentials in the theory of distributions. The resulting finite-difference "surface" potentials appear to be solutions of the corresponding continuous potentials. Primarily, this pertains to the possibility of representing a given solution to the homogeneous equation on the domain as a variety of surface potentials, with the density defined on the domain's boundary. At the same time the discrete surface potentials can be interpreted as one specific realization of the generalized potentials of Calderon's type, and consequently, their approximation properties can be studied independently in the framework of the difference potentials method by Ryaben'kii. The motivation for introducing and analyzing the discrete surface potentials was provided by the problems of active shielding and control of sound, in which the aforementioned source terms that drive the potentials are interpreted as the acoustic control sources that cancel out the unwanted noise on a predetermined region of interest.

Tsynkov, S. V.↗
NASA NTRS2000

GCSS Cirrus Parcel Model Comparison Project

The Cirrus Parcel Model Comparison Project, a project of GCSS Working Group on Cirrus Cloud Systems (WG2), involves the systematic comparison of current models of ice crystal nucleation and growth for specified, typical, cirrus cloud environments. The goal of this project is to document and understand the factors resulting in significant inter-model differences. The intent is to foment research leading to model improvement and validation. In Phase 1 of the project reported here, simulated cirrus cloud microphysical properties are compared for situations of "warm" (-40 C) and "cold" (-60 C) cirrus subject to updrafts of 4, 20 and 100 cm/s, respectively. Five models participated. These models employ explicit microphysical schemes wherein the size distribution of each class of particles (aerosols and ice crystals) is resolved into bins. Simulations are made including both homogeneous and heterogeneous ice nucleation mechanisms. A single initial aerosol population of sulfuric acid particles is prescribed for all simulations. To isolate the treatment of the homogeneous freezing (of haze drops) nucleation process, the heterogeneous nucleation mechanism is disabled for a second parallel set of simulations. Qualitative agreement is found for the homogeneous-nucleation-only simulations, e.g., the number density of nucleated ice crystals increases with the strength of the prescribed updraft. However, non-negligible quantitative differences are found. Detailed analysis reveals that the homogeneous nucleation formulation, aerosol size, ice crystal growth rate (particularly the deposition coefficient), and water vapor uptake rate are critical components that lead to differences in predicted microphysics. Systematic bias exists between results based on a modified classical theory approach and models using an effective freezing temperature approach to the treatment of nucleation. Each approach is constrained by critical freezing data from laboratory studies, but each includes assumptions that can only be justified by further laboratory data. Consequently, it is not yet clear if the two approaches can be made consistent. Large haze particles may deviate considerably from equilibrium size in moderate to strong updrafts (20-100 cm/s) at -60 C when the commonly invoked equilibrium assumption is lifted. The resulting difference in particle-size-dependent solution concentration of haze particles may significantly affect the ice nucleation rate during the initial nucleation interval. The uptake rate for water vapor excess by ice crystals is another key component regulating the total number of nucleated ice crystals. This rate, the product of ice number concentration and ice crystal diffusional growth rate, which is sensitive to the deposition coefficient when ice particles are small, partially controls the peak nucleation rate achieved in an air parcel and the duration of the active nucleation time period. The effects of heterogeneous nucleation are most pronounced in weak updraft situations. Vapor competition by the nucleated (heterogeneous) ice crystals limits the achieved ice supersaturation and thus suppresses the contribution of homogeneous nucleation. Correspondingly, ice crystal number density is markedly reduced. Definitive laboratory and atmospheric benchmark data are needed for the heterogeneous nucleation process. Inter-model differences are correspondingly greater than in the case of the homogeneous nucleation process acting alone.

Lin, Ruei-Fong↗
DOE OSTI2022

Highly Asymmetric Graphene Layer Doping and Band Structure Manipulation in Rare Earth–Graphene Heterostructure by Targeted Bonding of the Intercalated Gadolinium

Heterostructures consisting of vertically stacked two-dimensional (2D) materials have recently gained large attention due to their highly controllable electronic properties and resulting quantum phases. In contrast to the mechanically stacked multilayered systems, which offer exceptional control over a stacking sequence or interlayer twist angles, the epitaxially grown 2D materials express unprecedented quality and stability over wafer-scale lengths. However, controlling the growth conditions remains a major obstacle toward the formation of complex, epitaxial heterostructures with well-defined electronic properties. Here, we synthesized a trilayer graphene heterostructure on the SiC(0001) substrate with two specific interlayer locations occupied by gadolinium. We applied multitechnique methodology based on low-temperature scanning tunneling microscopy/spectroscopy (STM/S) and angle-resolved photoelectron spectroscopy (ARPES) to determine the intercalant’s locations in the complex, epitaxial graphene heterostructure. Our approach relies on very high quality and large, micrometer-scale homogeneity of the synthesized system. The experimentally determined electronic structure is dominated by the two topmost graphene layers. Overall, our spectroscopic results show quantitative agreement between global ARPES, local STM/S, and density functional theory predictions. The characterized electronic properties primarily reflect highly anisotropic doping levels between the two corresponding graphene layers, which significantly affect the band structure topology. Two pairs of hybridized massive Dirac bands from our initial synthesis–the bilayer graphene on the SiC(0001) substrate–are transformed upon Gd intercalation into two pairs of massless Dirac bands with a new hybridization region in between. Our results open perspectives in the realization of exotic 2D quantum materials via atomically precise synthesis of epitaxial, multilayered graphene–rare earth heterostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Superfluid dark matter around black holes

Superfluid dark matter, consisting of self-interacting light particles that thermalize and condense to form a superfluid in galaxies, provides a novel theory that matches the success of the standard ΛCDM model on cosmological scales while simultaneously offering a rich phenomenology on galactic scales. Within galaxies, the dark matter density profile consists of a nearly homogeneous superfluid core surrounded by an isothermal envelope. In this work we compute the density profile of superfluid dark matter around supermassive black holes at the center of galaxies. Here, in this work, we show that, depending on the fluid equation of state, the dark matter profile presents distinct power-law behaviors, which can be used to distinguish it from the standard results for collisionless dark matter.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1977

Lie theoretic aspects of the Riccati equation

Various features of the application of Lie theory to matrix Riccati equations, of basic importance in control and system theories, are discussed. Particular consideration is given to centralizer foliation, the Cartan decomposition, matrix Riccati equations as Lie systems on Grassmanians, local analysis near a zero point of a vector field, linearization in homogeneous space, the tangent bundle in terms of partitioned matrices, and stability properties of fixed points of Riccati vector fields.

Hermann, R.↗
NASA NTRS1986

On the Maxwellian distribution, symmetric form, and entropy conservation for the Euler equations

The Euler equations of gas dynamics have some very interesting properties in that the flux vector is a homogeneous function of the unknowns and the equations can be cast in symmetric hyperbolic form and satisfy the entropy conservation. The Euler equations are the moments of the Boltzmann equation of the kinetic theory of gases when the velocity distribution function is a Maxwellian. The present paper shows the relationship between the symmetrizability and the Maxwellian velocity distribution. The entropy conservation is in terms of the H-function, which is a slight modification of the H-function first introduced by Boltzmann in his famous H-theorem. In view of the H-theorem, it is suggested that the development of total H-diminishing (THD) numerical methods may be more profitable than the usual total variation diminishing (TVD) methods for obtaining wiggle-free solutions.

Deshpande, S. M.↗
NASA NTRS1994

A New Reynolds Stress Algebraic Equation Model

A general turbulent constitutive relation is directly applied to propose a new Reynolds stress algebraic equation model. In the development of this model, the constraints based on rapid distortion theory and realizability (i.e. the positivity of the normal Reynolds stresses and the Schwarz' inequality between turbulent velocity correlations) are imposed. Model coefficients are calibrated using well-studied basic flows such as homogeneous shear flow and the surface flow in the inertial sublayer. The performance of this model is then tested in complex turbulent flows including the separated flow over a backward-facing step and the flow in a confined jet. The calculation results are encouraging and point to the success of the present model in modeling turbulent flows with complex geometries.

Shih, Tsan-Hsing↗
NASA NTRS2002

Efficient Reformulation of HOTFGM: Heat Conduction with Variable Thermal Conductivity

Functionally graded materials (FGMs) have become one of the major research topics in the mechanics of materials community during the past fifteen years. FGMs are heterogeneous materials, characterized by spatially variable microstructure, and thus spatially variable macroscopic properties, introduced to enhance material or structural performance. The spatially variable material properties make FGMs challenging to analyze. The review of the various techniques employed to analyze the thermodynamical response of FGMs reveals two distinct and fundamentally different computational strategies, called uncoupled macromechanical and coupled micromechanical approaches by some investigators. The uncoupled macromechanical approaches ignore the effect of microstructural gradation by employing specific spatial variations of material properties, which are either assumed or obtained by local homogenization, thereby resulting in erroneous results under certain circumstances. In contrast, the coupled approaches explicitly account for the micro-macrostructural interaction, albeit at a significantly higher computational cost. The higher-order theory for functionally graded materials (HOTFGM) developed by Aboudi et al. is representative of the coupled approach. However, despite its demonstrated utility in applications where micro-macrostructural coupling effects are important, the theory's full potential is yet to be realized because the original formulation of HOTFGM is computationally intensive. This, in turn, limits the size of problems that can be solved due to the large number of equations required to mimic realistic material microstructures. Therefore, a basis for an efficient reformulation of HOTFGM, referred to as user-friendly formulation, is developed herein, and subsequently employed in the construction of the efficient reformulation using the local/global conductivity matrix approach. In order to extend HOTFGM's range of applicability, spatially variable thermal conductivity capability at the local level is incorporated into the efficient reformulation. Analytical solutions to validate both the user-friendly and efficient reformulations am also developed. Volume discretization sensitivity and validation studies, as well as a practical application of the developed efficient reformulation are subsequently carried out. The presented results illustrate the accuracy and implementability of both the user-friendly formulation and the efficient reformulation of HOTFGM.

Zhong, Yi↗
NASA NTRS1981

Computing aerodynamic sound using advanced statistical turbulence theories

It is noted that the calculation of turbulence-generated aerodynamic sound requires knowledge of the spatial and temporal variation of Q sub ij (xi sub k, tau), the two-point, two-time turbulent velocity correlations. A technique is presented to obtain an approximate form of these correlations based on closure of the Reynolds stress equations by modeling of higher order terms. The governing equations for Q sub ij are first developed for a general flow. The case of homogeneous, stationary turbulence in a unidirectional constant shear mean flow is then assumed. The required closure form for Q sub ij is selected which is capable of qualitatively reproducing experimentally observed behavior. This form contains separation time dependent scale factors as parameters and depends explicitly on spatial separation. The approximate forms of Q sub ij are used in the differential equations and integral moments are taken over the spatial domain. The velocity correlations are used in the Lighthill theory of aerodynamic sound by assuming normal joint probability.

Hecht, A. M.↗
DOE OSTI2022

Mixed stochastic-deterministic time-dependent density functional theory: application to stopping power of warm dense carbon

Warm dense matter (WDM) describes an intermediate phase, between condensed matter and classical plasmas, found in natural and man-made systems. In a laboratory setting, WDM is often created dynamically. It is typically laser or pulse-power generated and can be difficult to characterize experimentally. Measuring the energy loss of high energy ions, caused by a WDM target, is both a promising diagnostic and of fundamental importance to inertial confinement fusion research. However, electron coupling, degeneracy, and quantum effects limit the accuracy of easily calculable kinetic models for stopping power, while high temperatures make the traditional tools of condensed matter, e.g. time-dependent density functional theory (TD-DFT), often intractable. In this study, we have developed a mixed stochastic-deterministic approach to TD-DFT which provides more efficient computation while maintaining the required precision for model discrimination. Recently, this approach showed significant improvement compared to models when compared to experimental energy loss measurements in WDM carbon. Here, we describe this approach and demonstrate its application to warm dense carbon stopping across a range of projectile velocities. We compare direct stopping-power calculation to approaches based on combining homogeneous electron gas response with bound electrons, with parameters extracted from our TD-DFT calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Suppression of the long-wavelength CMB spectrum from the Hartle–Hawking wave function in the Starobinsky-type inflation model

The lack of correlations on the large scale cosmic microwave background (CMB) anisotropy provides a potential window to probe beyond the standard inflationary scenario. Herein, we investigate the primordial power spectrum based on the Hartle–Hawking (HH) no-boundary proposal for a homogeneous, isotropic, and spatially-closed universe that leads to Starobinsky-type inflation after the classicalization. While we found that there is no suppression at large scales in the standard $R+R^2$ theory, we also found that it is possible to sufficiently suppress the large-scale power spectrum if a pre-inflationary stage is introduced to the Starobinsky-type model. In addition, such a pre-inflationary stage will be helpful to explain the preference of large e-foldings of the $HH$ proposal. We calculate the $C^{TT}_{ℓ}$ correlation function and show that our proposal gives a better fit to the Planck CMB data. This suggests that our universe might have begun with a compact $HH$ state with a small positive curvature.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1991

A mathematical model of the maximum power density attainable in an alkaline hydrogen/oxygen fuel cell

A mathematical model of a hydrogen/oxygen alkaline fuel cell is presented that can be used to predict the polarization behavior under various power loads. The major limitations to achieving high power densities are indicated and methods to increase the maximum attainable power density are suggested. The alkaline fuel cell model describes the phenomena occurring in the solid, liquid, and gaseous phases of the anode, separator, and cathode regions based on porous electrode theory applied to three phases. Fundamental equations of chemical engineering that describe conservation of mass and charge, species transport, and kinetic phenomena are used to develop the model by treating all phases as a homogeneous continuum.

Kimble, Michael C.↗