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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Apollo 15 measurement of lunar surface brightness temperatures - Thermal conductivity of the upper 1.5 meters of regolith.

In situ measurements of lunar surface brightness temperatures made as a part of the Apollo Lunar Surface Experiments Package at the Apollo 15 Hadley Rille landing site are reported. Data derived from five thermocouples of the Heat Flow Experiment, which are lying on or just above the surface, are used to examine the thermal properties of the upper 15 cm of the lunar regolith using eclipse and nighttime cool-down temperatures. Application of finite-difference techniques in modeling the lunar soil shows that the thermocouple data are best fit by a model consisting of a low-density and low-thermal conductivity surface layer approximately 2 cm thick overlying a region increasing in conductivity and density with depth. Conductivities on the order of 0.00001 W per cm per deg K are postulated for the upper layer, with conductivity increasing to the order of 0.0001 W per cm per deg K at depths exceeding 20 cm. An increase in mean temperature with depth indicates that the ratio of radiative to conductive transfer at 350 K is 2.7 for at least the upper few centimeters of lunar soil; this value is nearly twice that measured for returned lunar fines.

Keihm, S. J.↗
NASA NTRS1985

Modeling of dense sprays from LOX/H2 coaxial injectors under supercritical conditions

Assumptions commonly employed in the analytical description of a thin spray become unacceptable as the droplet density and droplet volume displacement become large. Changes in the semiempirical models describing drop-drop or drop-gas interactions as well as in the basic modeling approach itself may be necessary. A number of efforts undertaken to improve such models of the atomization-evaporation process to render them applicable in the dense-spray, supercritical regime are described. The improvements include those for variable drop density, supercritical properties, stripping evaporation and drop reincorporation into the liquid stream. The models are developed for use with the ARICC three-phase finite difference combustion code. Selected results from a sample calculation are presented, demonstrating the enhanced realism achievable with the upgraded models.

Liang, P. Y.↗
NASA NTRS1988

Viscous shock-layer solutions for the low-density hypersonic flow past long slender bodies

Results are obtained for the surface pressure, drag, heat-transfer, and skin-friction coefficients for hyperboloids and sphere cones. Body half angles from 5 to 22.5 degrees are considered for various low-density flow conditions. Recently obtained surface-slip and shock-slip equations are employed to account for the low-density effects. The method of solution employed for the viscous shock-layer (VSL) equations is a partially coupled spatial-marching implicit finite-difference technique. The flow cases analyzed include highly cooled long slender bodies in high Mach number flows. The present perfect-gas VSL calculations compare quite well with available experimental data. Results have also been obtained from the steady-state Navier-Stokes (NS) equations by successive approximations. Comparison between the NS and VSL results indicates that VSL equations even with body and shock-slip boundary conditions may not be adequate in the stagnation region at altitudes greater than about 75 km for the cases analyzed here.

Gupta, R. N.↗
NASA NTRS1994

Experimental verification of a progressive damage model for composite laminates based on continuum damage mechanics

Progressive failure is a crucial concern when using laminated composites in structural design. Therefore the ability to model damage and predict the life of laminated composites is vital. The purpose of this research was to experimentally verify the application of the continuum damage model, a progressive failure theory utilizing continuum damage mechanics, to a toughened material system. Damage due to tension-tension fatigue was documented for the IM7/5260 composite laminates. Crack density and delamination surface area were used to calculate matrix cracking and delamination internal state variables, respectively, to predict stiffness loss. A damage dependent finite element code qualitatively predicted trends in transverse matrix cracking, axial splits and local stress-strain distributions for notched quasi-isotropic laminates. The predictions were similar to the experimental data and it was concluded that the continuum damage model provided a good prediction of stiffness loss while qualitatively predicting damage growth in notched laminates.

Coats, Timothy William↗
NASA NTRSDate not supplied

Preparing Quantum Many-Body Scar States on Quantum Computers

Quantum many-body scar states are highly excited eigenstates of many-body systems that exhibit atypical entanglement and correlation properties relative to other eigenstates at the same energy density. Scar states also give rise to infinitely long-lived coherent dynamics when the system is prepared in a special initial state having finite overlap with them. Many models with exact scar states have been constructed, but the fate of scarred eigenstates and dynamics when these models are perturbed is difficult to study with classical computational techniques. In this work, we propose state preparation protocols for individual scar states in a particular model, as well as superpositions of them that give rise to coherent dynamics. For superpositions of scar states, we propose both a linear depth unitary and a finite-depth nonunitary state preparation protocol, the latter of which uses measurement and postselection to reduce the circuit depth. For individual scarred eigenstates, we propose a circuit architecture with polynomial depth. We also provide proof of principle implementations of these protocols on superconducting quantum hardware.

Quantum Computing↗
DOE OSTI2022

Role of ripples in altering the electronic and chemical properties of graphene

Ripples of graphene are known to manipulate electronic and hydrogenation properties of graphitic materials. More detailed work is needed to elucidate the structure–property relationship of these systems. In this work, the density functional theory is used to compute the energy and electronic structure of the graphene models with respect to variable curvatures and hydrogen adsorption sites. The magnitude of finite bandgap opening depends on the orientation of ripples, and the hydrogen adsorption energy depends on the local curvature of graphene. An adsorbed hydrogen alters the local curvature, resulting in relatively weakened adsorption on the neighboring three sites, which gives a rationale to experimentally observed dynamic equilibrium stoichiometry (H:C = 1:4) of hydrogenated graphene. The surface diffusion transition state energy of adsorbed hydrogen is computed, which indicates that the Eley–Rideal surface recombination mechanism may be important to establish the dynamic equilibrium, instead of the commonly assumed Langmuir–Hinshelwood mechanism.

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

Assessment of Numerical Diffusion in NRELAP5 Code for Density Wave Oscillations Applications

Density wave oscillation (DWO) in a boiling channel can be a delicate phenomenon, and the precision of numerical tools can influence predictions. In this paper, relevant numerical diffusion was analyzed for the finite difference schemes used in the NRELAP5 code. The numerical diffusion in NRELAP5 was investigated under both single-phase and two-phase conditions. A unique perturbation technique called the “V” ramping approach was introduced, and the NRELAP5-predicted DWO results were then compared to test data.

Numerical diffusion, NRELAP5, RELAP5-3D, density w↗
NASA NTRS2002

Coupling Between Microstrip Lines and Finite Ground Coplanar Lines Embedded in Polyimide Layers for 3D-MMICs on Silicon

Three-dimensional circuits built upon multiple layers of polyimide are required for constructing Si/SiGe monolithic microwave/mm-wave integrated circuits on CMOS (low resistivity) Si wafers. It is expected that these circuits will replace the ones fabricated on GaAs and reduce the overall system cost. However, the closely spaced transmission lines that are required for a high-density circuit environment are susceptible to high levels of cross-coupling, which degrades the overall circuit performance. In this paper, theoretical and experimental results on coupling and ways to reduce it are presented for two types of transmission lines: a) the microstrip line and b) the Finite Ground Coplanar (FGC) line. For microstrip lines it is shown that a fence of metalized via-holes can significantly reduce coupling, especially in the case when both lines are on the same polyimide layer or when the shielding structure extends through several polyimide layers. For closely spaced microstrip lines, coupling is lower for a metal filled trench shield than a via-hole fence. Coupling amongst microstrip lines is dependent on the ratio of line separation to polyimide thickness and is primarily due to magnetic fields. For FGC lines it is shown that they have in general low coupling that can be reduced significantly when there is even a small gap between the ground planes of each line. FGC lines have approximately 8 dB lower coupling than coupled coplanar waveguides (CPW). In addition, forward and backward characteristics of the FGC lines do not resemble those of other transmission lines such as microstrip. Therefore, the coupling mechanism of the FGC lines is different compared to thin film microstrip lines.

Ponchak, G. E.↗
DOE OSTI2026

Physicochemical and Performance Characterization of Six Commercial Organic Solvent Nanofiltration Membranes

This work introduces a novel, gradient-free metamaterial design method based on Gaussian process regression to represent the density field of a unit cell. The dimension of the design space is determined by the covariance matrix dimension in the Gaussian process regression. We propose compressing this matrix using an autoencoder, enabling the decoder to generate the density field and effectively reduce the originally large design space to a lower-dimensional subspace. In this compressed space, we employ an active learning method, Bayesian Adaptive Direct Search (BADS), for efficient exploration of the design space. We demonstrate that for simple 2D designs aimed at maximizing unit cell stiffness, our method yields results comparable to those of standard topology optimization. Furthermore, we extend our approach to various mechanical problems, from linear elasticity to hyperelastic large deformation and elasto-plasticity under finite deformation, to 3D metamaterial design. This illustrates the method’s versatility and effectiveness across a range of applications.

Wu, Haoran↗
NASA NTRS2003

Structural Reliability Using Probability Density Estimation Methods Within NESSUS

A reliability analysis studies a mathematical model of a physical system taking into account uncertainties of design variables and common results are estimations of a response density, which also implies estimations of its parameters. Some common density parameters include the mean value, the standard deviation, and specific percentile(s) of the response, which are measures of central tendency, variation, and probability regions, respectively. Reliability analyses are important since the results can lead to different designs by calculating the probability of observing safe responses in each of the proposed designs. All of this is done at the expense of added computational time as compared to a single deterministic analysis which will result in one value of the response out of many that make up the density of the response. Sampling methods, such as monte carlo (MC) and latin hypercube sampling (LHS), can be used to perform reliability analyses and can compute nonlinear response density parameters even if the response is dependent on many random variables. Hence, both methods are very robust; however, they are computationally expensive to use in the estimation of the response density parameters. Both methods are 2 of 13 stochastic methods that are contained within the Numerical Evaluation of Stochastic Structures Under Stress (NESSUS) program. NESSUS is a probabilistic finite element analysis (FEA) program that was developed through funding from NASA Glenn Research Center (GRC). It has the additional capability of being linked to other analysis programs; therefore, probabilistic fluid dynamics, fracture mechanics, and heat transfer are only a few of what is possible with this software. The LHS method is the newest addition to the stochastic methods within NESSUS. Part of this work was to enhance NESSUS with the LHS method. The new LHS module is complete, has been successfully integrated with NESSUS, and been used to study four different test cases that have been proposed by the Society of Automotive Engineers (SAE). The test cases compare different probabilistic methods within NESSUS because it is important that a user can have confidence that estimates of stochastic parameters of a response will be within an acceptable error limit. For each response, the mean, standard deviation, and 0.99 percentile, are repeatedly estimated which allows confidence statements to be made for each parameter estimated, and for each method. Thus, the ability of several stochastic methods to efficiently and accurately estimate density parameters is compared using four valid test cases. While all of the reliability methods used performed quite well, for the new LHS module within NESSUS it was found that it had a lower estimation error than MC when they were used to estimate the mean, standard deviation, and 0.99 percentile of the four different stochastic responses. Also, LHS required a smaller amount of calculations to obtain low error answers with a high amount of confidence than MC. It can therefore be stated that NESSUS is an important reliability tool that has a variety of sound probabilistic methods a user can employ and the newest LHS module is a valuable new enhancement of the program.

Chamis, Chrisos C.↗
NASA NTRS1982

Propagation of wide bandwidth signals through strongly turbulent ionized media

Analytic and numerical techniques are presented which directly address the problem of propagation of wide bandwidth signals through random ionized media. This work is applicable to the problems of satellite communication and space based radar observation through a disturbed ionospheric propagation channel that would result from a high altitude chemical release or nuclear detonation. An analytic solution is presented for the two-position, two-frequency mutual coherence function for spherical wave propagation in the strong scattering limit. This solution is used to derive simple expressions for the power impulse response function and to determine its relationship to the important parameters of decorrelation distance and coherence bandwidth which describe the disturbed propagation channel. Results for mean time delay and time delay jitter are presented and compared to direct simulation results and to other theoretical calculations. A numerical/analytical solution to the parabolic wave equation is presented in the form of a multiple phase-screen (MPS) propagation simulation. In this very general solution technique, the random medium is divided into a finite number of layers. The field fluctuation through each layer is obtained by replacing the layer by a centrally located thin phase-screen, whose statistical properties are determined from the statistics of the electron-density irregularities. The waveform then propagates from phase-screen to phase-screen via an exact solution to the Fresnel-Kirchnoff equation. For wide bandwidth waveforms, numerical solutions are obtained at a number of discrete frequencies centered about the carrier and then time-domain solutions are obtained by Fourier transform techniques. Detailed results are presented for a number of interesting cases including propagation of a 20 MHz bandwidth signal through a finite barium cloud at a carrier frequency of 100 MHz. One of the major uses of the MPS propagation simulation has been to provide realizations of the received signal after propagation through a disturbed channel. The MPS simulation obtains a general solution of the parabolic wave equation under both weak and strong scattering conditions. A second technique to directly obtain realizations of wide bandwidth waveforms is presented here. This technique is limited to the case of strong scattering but requires only a fraction of the computer resources needed for MPS signal generation. Detailed comparisons of the two signal generation techniques are presented.

Random Media↗
DOE OSTI2021

Evaluation of Structural Lattices for a Davis Gun Earth Penetrator Impact Experiment

The advanced materials team investigated the use of additively manufactured metallic lattice structures for mitigating impact response in a Davis gun earth penetrator impact experiment. High-fidelity finite element models were developed and validated with quasistatic experiments. These models were then used to simulate the response of such lattices when subjected to the acceleration loads expected in the Davis gun experiment. Results reveal how the impact mitigation performance of lattices can change drastically at a certain relative density. Based on these observations, an experiment deck was designed to probe the response of lattices with different relative densities during the Davis gun phase 2 shots. The expected performance of these lattices is predicted before testing based on simulation results. The results of the Davis gun phase 2 shots are expected to provide data which will be used to assess the predictive capability of the finite element simulations in such a complex impact environment.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Near-net shaping of high-density, complex, spatially-tailored ceramics for extreme environments

The purpose of this subcontract is for LLNL to collaborate with the Subcontractor (UCSB) in the areas of binder jet additive manufacturing (BJAM), hot pressing (HP), finite element modeling (FEM), and multi-material sintering studies. LLNL wants to further develop its hot pressing, AM, and modeling capabilities through LLNL’s Early Career Faculty Program. This work will focus on developing a method to hot press complex-shaped ceramic parts through the co-deposition of a structural/functional ceramic and sacrificial mold material in one assembly via multi-material binder jet printing. The method aims to produce dense, near-net shaped parts with applications relevant to a wide variety of fields including aerospace, defense, and energy.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Microcanonical Kinetics of Water-Mediated Proton Transfer in 4ABAH + ·(H 2 O) n = 4–6 Clusters (ABA = Aminobenzoic Acid): A Model System for Size-Dependent Relaxation to Ergodic Behavior

Here, we leverage the unique properties of the 4ABAH + · (H 2 O) n clusters (ABA = 4-aminobenzoic acid, n = 4−6) to quantitatively address how a finite, isolated system evolves into an ergodic condition starting from localized arrangements in configuration space. This system adopts two distinct structural isomers in which water molecules cluster around the cationic centers of its two protomers with widely separated positive charge centers. These isomers arise from excess proton attachment to either the acid (O) or amino (N) group on opposite sides of the benzene ring. Both forms are captured and kinetically trapped using cryogenic ion methods and then selectively vibrationally excited through their mutually exclusive IR bands involving NH and OH stretching fundamentals. Because the IR excitation lies below the water binding energy, the system can evolve to explore slow, rare events that lead to the interconversion between the two isomers. The rates of these intracluster reactions are determined by using a pump−probe scheme involving ∼5 ns IR pump and UV probe lasers. The rates occur on the microsecond time scale, leading to steady state populations of the isomers, thus revealing the cluster size-dependent fractionation between the two species at microcanonical equilibrium. The steady state distributions are correlated with the expected trend in the cluster size-dependent reaction energetics, which are in turn consistent with changes in the relative densities of states of the two species. These results thus provide an unusually clear example in which complex, protic-solvent-mediated chemical transformations are captured within a finite system at a precisely determined internal energy.

Rana, Abhijit [Yale Univ., New Haven, CT (United S↗
DOE OSTI2026

Importance of finite-size corrections for accurate ab initio modeling of carrier capture at semiconductor defects: A case study of substitutional C N in GaN

In ab initio studies of carrier-capture processes in defective semiconductor materials, the single-effective-mode formalism and the static-coupling approximation have become the predominant theoretical approaches for determining carrier-capture coefficients. The single-mode formalism relies on accurate nonequilibrium defect energies obtained from density-functional theory (DFT), where required inputs are a series of configurationally displaced, defect-containing supercells obtained using an interpolative ansatz, and where the DFT outputs are corresponding total energies that have traditionally been postprocessed using a long-established ground-state formulation of finite-size corrections and defect-formation energies. This formulation remains commonly used even though the defects that form a configuration-coordinate (CC) diagram typically exist as structures that are displaced from the ground state. To remedy this inconsistency, Kumagai has recently proposed novel methods for implementing finite-size corrections specifically intended for DFT calculations of the defect energies used to construct CC diagrams and implement the single-mode formalism [Y. Kumagai, Phys. Rev. B 107, L220101 (2023)]. Kumagai's approach builds on the latest finite-size-correction methods introduced to describe vertical charge-state transitions for charge-localizing point defects in semiconductors and insulators [T. Gake et al., Phys. Rev. B 101, 020102 (2020); S. Falletta et al., Phys. Rev. B 102, 041115 (2020)]. The newly identified finite-size artifact treated in these studies is the polarization charge induced on a configurationally frozen defect and its subsequent interaction with a vertical transition in charge state. In this work, we evaluate Kumagai's proposed methodology by applying it in a high-precision DFT study of carrier capture by substitutional C N in GaN, a well-characterized and technologically relevant defect and material. We have rigorously calculated C N defect energies across various supercell sizes for each defect configuration and charge state on the hole-capture CC diagram of C N (𝑞=−1), enabling a direct comparison of the slopes of the defect energies versus inverse cell size with those predicted by Kumagai. The most consequential prediction of Kumagai's method is that these slopes distinctly vary as the square of the linear-interpolation parameter used to construct the nonequilibrium defect configurations. Our results quantitatively support this prediction. Moreover, with these new finite-size corrections and multiple-cell-size DFT calculations in place, we find that the classical energy barrier for hole capture by C N (𝑞=−1) in GaN decreases to 0.092–0.127 eV. This finding confirms the recent ≈ 0.1 eV prediction of Reshchikov based on the weak temperature dependence for hole capture observed in photoluminescence experiments [M. A. Reshchikov, J. Appl. Phys. 129, 121101 (2021)]. These results stand in stark contrast to previously calculated barriers of 0.486 and 0.73 eV, which also used the single-mode formalism but were obtained by instead using ground-state-based finite-size corrections. Our reduced classical barrier for capture increases the temperature-dependent hole-capture coefficient of a C N (𝑞=−1) defect by more than two to four orders of magnitude for temperatures of 100–600 K, compared to the previous 0.486 eV results. While other defects may not be as dramatically affected as here, we suggest that incorporating proper finite-size corrections for the vertical-transition-like states embedded within CC diagrams is an essential, yet previously unrecognized, component of accurate modeling of carrier-capture when using the single-effective-mode formalism.

dielectric properties↗
NASA NTRS2023

Polar Firn Properties in Greenland and Antarctica and Related Effects on Microwave Brightness Temperatures

In studying the mass balance of polar ice sheets, fluctuations of firn density near the surface is a major uncertainty. In this paper, we explore these variations at locations in the Greenland Ice Sheet and at the Dome C location in Antarctica. Borehole in situ measurements, Snow Radar echoes, microwave brightness temperatures, and modelling results from the Community firn model (CFM) are used. It is shown that firn density profiles can be represented using 3 processes: “long” and “short” length scale density variations and “refrozen layers”. Consistency with this description is observed in the dynamic range of airborne 0.5-2 GHz brightness temperatures and Snow Radar echo peaks in measurements performed in Greenland in 2017. Based on these insights, a new analytical partially coherent model is implemented to explain the microwave brightness temperatures using the three scale description of the firn. Short and long scale firn processes are modelled as a 3D continuous random medium with finite vertical and horizontal correlation lengths as opposed to past 1D random layered medium descriptions. Refrozen layers are described as deterministic sheets with planar interfaces, with the number of refrozen layer interfaces determined by radar observations. Firn density and correlation length parameters used in forward modelling to match measured 0.5-2 GHz brightness temperatures in Greenland show consistency with similar parameters in CFM predictions. Model predictions also are in good agreement with multi-angle 1.4 GHz vertically and horizontally polarized brightness temperature measured by the SMOS satellite at DOME C, Antarctica. This work shows that co-located active and passive microwave measurements can be used to infer polar firn properties that can be compared with predictions of the CFM. In particular, 0.5-2 GHz brightness temperature measurements are shown to be sensitive to long scale firn density fluctuations with density standard deviations in the range 0.01-0.06 g/cm^3 and vertical correlation lengths of 6-20 cm.

Haokui Xu↗
DOE OSTI2022

A mass–momentum consistent coupling for mesh-adaptive two-phase flow simulations

Here, we present a novel mass-momentum consistent coupling between a geometric volume-of-fluid scheme and an incompressible flow solver with differing directional-splitting approaches. The advection of the volume fraction is performed using a direction-split algorithm, whereas the momentum advection algorithm uses a traditional unsplit, fractional-step approach. Both algorithms employ finite-volume discretizations based on Cartesian meshes. In solving the mass-momentum consistency problem, momentum fluxes at the cell faces are weighted by the density fluxes based on the already advected volume fraction. The success of our approach lies on introducing a Favre-averaged velocity interpolation at the liquid/gas interface along with a minmod slope limiter. Mesh-convergence studies show that when the minmod slope limiter is used, the two-phase solver retains an accuracy between first and second order, but when a purely upwind scheme is considered, its accuracy drops to first order. Finally, after considering several validation problems, the solver is shown to agree well with reference numerical and experimental data while retaining its robustness and efficiency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Thermal Analysis of a 50 kW Three-Phase Wireless Charging System

In this paper, the thermal analysis of a 50 kW three-phase wireless charging system (WCS) is presented. Addressing the thermal challenge is essential for designing a compact charging pad for 50 kW and higher-power WCS pads. Low thermal conductivity of the Litz wire and ferrite, and uneven distribution of the coil, and core loss cause the high temperature in the charging pads. In this paper, the loss distribution of a 50 kW three-phase WCS is investigated, and the temperature distribution is simulated using finite element analysis (FEA) considering the magnetic and non-magnetic materials of a charging pad. The thermal characteristics of an extremely high-power density 50 kW WCS prototype are tested experimentally for 10 minutes of operation. The simulation and experimental results show that the coil temperature increases to 65°C, the core temperature varies between 50°C to 150°C, and the packaging temperature increases to 65°C after 10 minutes of operation at rated 50 kW output power.

Mohammad, Mostak↗