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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Dynamic stall: An example of strong interaction between viscous and inviscid flows

A study was done of the phenomena concerning profiles in dynamic stall configuration, and more specially those related to pitch oscillations. The most characteristic experimental results on flow separations with a vortex character, and their repercussions on local pressures and total forces were analyzed. Some aspects of the methods for predicting flows with the presence (or not) of boundary layer separation are examined, as well as the main simplified methods available to date for the calculation of total forces in such configurations.

Philippe, J. J.↗
NASA NTRSDate not supplied

Recent Improvements and Verification of A Full Body Model in Opensim

BACKGROUND: The dynamic feasibility [1,2] criterion, that the subject’s Center of Pressure (COP) be located within the Base of Support (BOS) which outlines the feet, has aided in assessing the stability of human motion recorded on earth while performing the recorded tasks in lunar gravity or as countermeasures exercises on a vibration isolation and stabilization system in microgravity. The convex hull of the BOS on the platform under the subject’s feet was estimated using virtual markers on the feet of the scaled subject model. The COP was calculated using the ground reaction forces and moments determined from motion capture data with biomechanical modeling tools [3]. Occasionally, large-amplitude oscillatory spikes or “artifacts” were observed in the subject’s linear and angular momentum derivatives, affecting some COP data derived from motion capture. The purpose of this investigation was to assess and improve the accuracy of model scaling and BOS estimation as well as to determine the efficacy of model adjustments in mitigating artifacts influencing motion capture-derived ground reaction force and COP results. METHODS: To aid evaluation of proposed process and model updates, motion capture data were collected for two subjects during unit test and range of motion trials, lunar tasks, and countermeasures exercise motions. Markers were added to the full body Plug-in Gait marker set [4] during data collection. New markers were placed on the front, back, sides, and top of the head to improve scaling using distances between marker pairs. Medial elbow markers were added to stabilize the upper arm during OpenSim Inverse Kinematics (IK) [5]. Finally, markers were added on the outer edge of the heels and on the outside edges of the first and last toes on each foot. These additional foot markers were made available to test new automated foot scaling techniques and to calculate the error between the subject’s estimated and recorded BOS. The modified unscaled OpenSim Full Body Rajagopal Model [6,7] was adjusted using some previously investigated techniques [8] to mitigate rapid shifts in joint angles occurring during IK, as these were found to cause the spike artifacts observed in subsequent stages of analysis. Since OpenSim models use Euler angles and rotation sequences, the arm axes of rotation were adjusted, and the pelvis order of rotation was changed to minimize the likelihood of encountering “gimbal lock” during common human motion. The model clavicle, arm, elbow, wrist, pelvis, and ankle angle limits were adjusted to better accommodate the full human range of motion seen in exercise and lunar data. The shoulder joint center was calculated using a “pivoting” algorithm [9], and both shoulder joint center and upper arm markers were included during IK to provide additional shoulder stability on a case-by-case basis. The quality of IK results was assessed by three criteria: minimizing error between recorded motion capture markers and model markers, checking for reasonable rates of change in joint angles between fames (i.e., no IK artifacts), and ensuring the absence of spikes in the inertial forces and angular momentum derivatives calculated using a custom OpenSim plugin [10]. RESULTS: The additional markers placed on the subject during data collection allowed the head and feet to be scaled more accurately using distances between new marker pairs. Scaling with BOS markers placed on the subject and removing the limit on subtalar angle resulted in more accurate BOS determination. Unrealistically large changes in joint angles between frames could be reduced by including clavicle, sternum, and medial elbow markers during IK. In cases with large arm ranges of motion, results could be further improved by running IK using medial elbow and virtual shoulder joint center markers. Model adjustments significantly improved the IK results affecting COP calculation and increased the accuracy of BOS estimation.

C A Bell↗
NASA NTRS1990

Quadrature imposition of compatibility conditions in Chebyshev methods

Often, in solving an elliptic equation with Neumann boundary conditions, a compatibility condition has to be imposed for well-posedness. This condition involves integrals of the forcing function. When pseudospectral Chebyshev methods are used to discretize the partial differential equation, these integrals have to be approximated by an appropriate quadrature formula. The Gauss-Chebyshev (or any variant of it, like the Gauss-Lobatto) formula can not be used here since the integrals under consideration do not include the weight function. A natural candidate to be used in approximating the integrals is the Clenshaw-Curtis formula, however it is shown that this is the wrong choice and it may lead to divergence if time dependent methods are used to march the solution to steady state. The correct quadrature formula is developed for these problems. This formula takes into account the degree of the polynomials involved. It is shown that this formula leads to a well conditioned Chebyshev approximation to the differential equations and that the compatibility condition is automatically satisfied.

Gottlieb, D.↗
NASA NTRS1993

Prediction of forces and moments for hypersonic flight vehicle control effectors

This research project includes three distinct phases. For completeness, all three phases of the work are briefly described in this report. The goal was to develop methods of predicting flight control forces and moments for hypersonic vehicles which could be used in a preliminary design environment. The first phase included a preliminary assessment of subsonic/supersonic panel methods and hypersonic local flow inclination methods for such predictions. While these findings clearly indicated the usefulness of such methods for conceptual design activities, deficiencies exist in some areas. Thus, a second phase of research was conducted in which a better understanding was sought for the reasons behind the successes and failures of the methods considered, particularly for the cases at hypersonic Mach numbers. This second phase involved using computational fluid dynamics methods to examine the flow fields in detail. Through these detailed predictions, the deficiencies in the simple surface inclination methods were determined. In the third phase of this work, an improvement to the surface inclination methods was developed. This used a novel method for including viscous effects by modifying the geometry to include the viscous/shock layer.

Maughmer, Mark D.↗
DOE OSTI2022

A consistent and conservative Phase-Field method for multiphase incompressible flows

In the present study, a consistent and conservative Phase-Field method, including both the model and scheme, is developed for multiphase flows with an arbitrary number of immiscible and incompressible fluid phases. The consistency of mass conservation and the consistency of mass and momentum transport are implemented to address the issue of physically coupling the Phase-Field equation, which locates different phases, to the hydrodynamics. These two consistency conditions, as illustrated, provide the “optimal” coupling because (i) the new momentum equation resulting from them is Galilean invariant and implies the kinetic energy conservation, regardless of the details of the Phase-Field equation, and (ii) failures of satisfying the second law of thermodynamics or the consistency of reduction of the multiphase flow model only result from the same failures of the Phase-Field equation but are not due to the new momentum equation. Physical interpretation of the consistency conditions and their formulations are first provided, and general formulations that are obtained from the consistency conditions and independent of the interpretation of the velocity are summarized. Then, the present consistent and conservative multiphase flow model is completed by selecting a reduction consistent Phase-Field equation. Several novel techniques are developed to inherit the physical properties of the multiphase flows after discretization, including the gradient-based phase selection procedure, the momentum conservative method for the surface force, and the general theorems to preserve the consistency conditions on the discrete level. Equipped with those novel techniques, a consistent and conservative scheme for the present multiphase flow model is developed and analyzed. The scheme satisfies the consistency conditions, conserves the mass and momentum, and assures the summation of the volume fractions to be unity, on the fully discrete level and for an arbitrary number of phases. All those properties are numerically validated. Finally, numerical applications demonstrate that the present model and scheme are robust and effective in studying complicated multiphase dynamics, especially for those with large-density ratios.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Calibration of linear contact stiffnesses in discrete element models using a hybrid analytical-computational framework

Efficient selections of particle-scale contact parameters in discrete element modelling remain an open question. The purpose of this study is to provide a hybrid calibration framework to estimate linear contact stiffnesses (normal and tangential) for both two-dimensional and three-dimensional simulations. Analytical formulas linking macroscopic parameters (Young's modulus, Poisson's ratio) to mesoscopic particle parameters for granular systems are derived based on statistically isotropic packings under small-strain isotropic stress conditions. By taking the derived analytical solutions as initial approximations, the gradient descent algorithm automatically obtains a reliable numerical estimation. The introduced framework is validated with several numerical cases including randomly distributed monodisperse and polydisperse packings. The results show that this hybrid method practically reduces the time for artificial trials and errors to obtain reasonable stiffness parameters. The proposed framework can also be extended to other parameter calibration problems in DEM.

Calibration method↗
DOE OSTI2025

Computing chemical potentials with machine-learning-accelerated simulations to accurately predict thermodynamic properties of molten salts

The successful design and deployment of next-generation nuclear technologies heavily rely on thermodynamic data for relevant molten salt systems. However, the lack of accurate force fields and efficient methods has limited the quality of thermodynamic predictions from atomistic simulations. Here we propose an efficient free energy framework for computing chemical potentials, which is the central free energy quantity behind many thermodynamic properties. We accelerate our simulations without sacrificing accuracy by using machine learning interatomic potentials trained on density functional theory (DFT) data. Using lithium chloride as our model system, we compute chemical potentials with DFT-accuracy for solid and liquid phases by transmuting ions into noninteracting particles. Notably, in the liquid phase, we demonstrate consistency whether we transmute one ion pair or the entire system into ideal gas particles. By locating the temperature where the chemical potential of solid and liquid phases cross, we predict a melting point of 880 ± 18 K for lithium chloride, which is remarkably close to the experimental value of 883 K. With this successful demonstration, we lay the foundation for high-throughput thermodynamic predictions of many properties that can be derived from the chemical potentials of the minority and majority components in molten salts.

Gibson, Luke D. [Oak Ridge National Laboratory (OR↗
DOE OSTI2023

Enhancing SRF cavity stability and minimizing detuning with data-driven resonance control based on dynamic mode decomposition

Effective resonance control of superconducting radio frequency (SRF) cavities is critical for large machines like LCLS-II, as failure to achieve proper control can result in increased RF power consumption, higher cryogenic heat loads, and increased costs. To address this challenge, we have developed a machine learning (ML) model based on the dynamic mode decomposition method to represent the forced cavity dynamics. Using this model, we designed a model predictive controller (MPC) and demonstrated through simulation that the MPC can effectively stabilize the amplitude and phase of SRF cavities using only a frequency actuator, even in the presence of multiple mechanical modes. The lightweight and explicit ML model makes the controller suitable for direct implementation on field-programmable gate arrays, unlocking the full potential of SRF linacs like LCLS-II, enabling higher beam power and energy, and also serving as an advanced motion controller for various applications, such as photon beamlines and storage rings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Collision integrals within the Chapman–Enskog theory for a generalized Lennard-Jones potential

Here we report the values of the collision integrals, needed for the calculation of the macroscopic transport properties such as viscosity (η) and diffusion coefficient (D) of gases within the Chapman–Enskog kinetic gas theory, for a generalized Lennard-Jones potential (gLJ), a more general potential with an adjustable long range 1/r dependence that can describe a wide range of intermolecular interactions.

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

Finite-temperature vibrational full configuration interaction

Thermodynamic functions of an ideal molecular gas due to its anharmonic vibrations are evaluated in a wide range of temperature (T) by the vibrational full-configuration-interaction (FCI) method using a quartic force field and a finite number (N) of harmonic-oscillator basis functions along each normal mode. The thermodynamic functions considered are the grand potential (Ω), internal energy (U), and entropy (S). They are compared with those obtained from the Bose–Einstein theory with or without truncation of the harmonic-oscillator basis functions after quantum number N–1. The comparison reveals that the finite-basis-set errors in Ω and U are, respectively, k B Tln(k B T/Nℏω) and k B T per mode in the high-T limit, obscuring anharmonic effects when k B T > ℏω, where ω is the lowest mode frequency. Here, the benchmark data for several low-order perturbation corrections to Ω, U, and S are also obtained as the numerical derivatives of their FCI values with respect to dimensionless perturbation strength, and the domain of T and N in which these data are reliable (for the N → ∞ limits) is discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Bayesian mixture model approach to quantifying the empirical nuclear saturation point

The equation of state (EOS) in the limit of infinite symmetric nuclear matter exhibits an equilibrium density, $n_0 \approx 0.16 \, \mathrm{fm}^{-3}$, at which the pressure vanishes and the energy per particle attains its minimum, $E_0 \approx -16 \, \mathrm{MeV}$. Although not directly measurable, the nuclear saturation point $(n_0,E_0)$ can be extrapolated by density functional theory (DFT), providing tight constraints for microscopic interactions derived from chiral effective field theory (EFT). However, when considering several DFT predictions for $(n_0,E_0)$ from Skyrme and Relativistic Mean Field (RMF) models together, a discrepancy between these model classes emerges at high confidence levels that each model prediction's uncertainty cannot explain. How can we leverage these DFT constraints to rigorously benchmark nuclear saturation properties of chiral interactions? To address this question, we present a Bayesian mixture model that combines multiple DFT predictions for $(n_0,E_0)$ using an efficient conjugate prior approach. The inferred posterior distribution for the saturation point's mean and covariance matrix follows a Normal-inverse-Wishart class, resulting in posterior predictives in the form of correlated, bivariate $t$-distributions. The DFT uncertainty reports are then used to mix these posteriors using an ordinary Monte Carlo approach. At the 95\% credibility level, we estimate $n_0 \approx 0.157 \pm 0.010 \, \mathrm{fm}^{-3}$ and $E_0 \approx -15.97 \pm 0.40 \, \mathrm{MeV}$ for the marginal (univariate) $t$-distributions. Combined with chiral EFT calculations of the pure neutron matter EOS, we obtain bivariate normal distributions for the nuclear symmetry energy and its slope parameter evaluated at $n_0$: $S_v \approx 32.0 \pm 1.1 \, \mathrm{MeV}$ and $L\approx 52.6\pm 8.1 \, \mathrm{MeV}$ (95\%), respectively. Furthermore, our Bayesian framework is publicly available, so practitioners can readily use and extend our results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

16 O Electroweak Response Functions from First Principles

We present calculations of various electroweak response functions for the 16 O nucleus obtained using coupled-cluster theory in conjunction with the Lorentz integral transform method. We employ nuclear forces derived at next-to-leading order and next-to-next-to-leading order in chiral effective field theory and perform a Bayesian analysis to assess uncertainties. Our results are in good agreement with available electron-scattering data at |𝐪|≈326 MeV/c. Additionally, we provide several predictions for the weak response functions in the quasielastic peak region at |𝐪| =300 and 400 MeV/c, which are critical for long-baseline neutrino experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Excitons and Trions in Bilayer van der Waals Heterostructures

Excitons and trions in bilayer structures based on transition metal dichalcogenides are theoretically studied. Expressions for the effective potential of interparticle interaction in such a system with allowance for a significant dielectric contrast in the heterostructure are obtained. Simple and physically justified variational functions for electron–hole complexes are proposed. A variational calculation of the exciton and trion binding energies as functions of the interlayer distance, taking into account the specific features of the screening of the Coulomb interaction, is performed. The accuracy of the variational approach is confirmed by direct numerical calculation of the exciton binding energy as a function of the interlayer distance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Considering uncertainties expands the lower tail of maize yield projections

Crop yields are sensitive to extreme weather events. Improving the understanding of the mechanisms and the drivers of the projection uncertainties can help to improve decisions. Previous studies have provided important insights, but often sample only a small subset of potentially important uncertainties. Here we expand on a previous statistical modeling approach by refining the analyses of two uncertainty sources. Specifically, we assess the effects of uncertainties surrounding crop-yield model parameters and climate forcings on projected crop yield. We focus on maize yield projections in the eastern U.S.in this century. We quantify how considering more uncertainties expands the lower tail of yield projections. We characterized the relative importance of each uncertainty source and show that the uncertainty surrounding yield model parameters is the main driver of yield projection uncertainty.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Mitigation of space charge effects using electron column at IOTA ring

We investigate a novel method to mitigate space charge effects of high intensity proton beams propagating in circular accelerators by means of trapping and controlling electrons generated from beam-induced residual gas ionization. This compensation method uses Coulomb repulsion force between a proton beam and electrons to mitigate self-space charge effects of the beam if it passes through a plasma column. The transverse electron-proton (e-p) instability in the plasma column is well controlled by the longitudinal magnetic field of a solenoid magnet and the bias voltages on electrodes. In this report, we will show simulation results how to control distributions of electrons and ions as well as that of the proton beam inside the column.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Machine learning reveals strong grid-scale dependence in the satellite N d –LWP relationship

The relationship between cloud droplet number concentration ( N d ) and liquid water path (LWP) is highly uncertain yet crucial for determining the impact of aerosol-cloud interactions (ACI) on Earth's radiation budget. The N d -LWP relationship is examined using a machine learning (ML) random forest model applied to five years of satellite data at grid resolutions ranging from 10° to 0.05° in 12 distinct regions. In the subtropics, the shape of the N d -LWP relationship switches from an inverted-V at 1° grid-resolution to an “M” shape at 0.1° resolution with decreased $\frac{\textrm{dln⁡LWP}}{\textrm{dln⁡}N_d}$ sensitivity. Tropical and midlatitude regions generally show a more positive sensitivity. Cloud sampling and filtering also influence this slope, wherein the exclusion of thin clouds, as commonly performed to reduce retrieval uncertainty, leads to strongly negative sensitivity across all regions. Precipitation is primarily responsible for driving the strength of the sensitivity, with strong positive slopes in raining clouds and negative and/or neutral responses found in non-raining clouds. A new method to compute radiative forcing from the ML model shows a robust Twomey radiative forcing across all regions and grid resolutions. However, LWP and cloud fraction adjustments to the radiative forcing, which are ∼50 % or smaller than the Twomey effect, decrease to negligible values with higher spatial resolution data. As Earth system models move toward higher spatial resolutions in the future, evaluating the LWP and CF adjustment contributions to the radiative forcing budget at these finer resolutions will be essential for evaluation and model development.

Aerosol-Cloud Interactions↗
NASA NTRS1972

A method for calculating laminar viscous, compressible flows with small pressure gradients

A method is presented for calculating laminar viscous, compressible flows in which pressure gradients are assumed to be neglibible in energy conservation and in developing property relations, but not in momentum conservation. The equations are developed from Navier-Stokes equations in a noninertial reference frame. The method is an extension of an approximate method developed for calculating combined forced and contained natural convection in a rotating tank. The restriction to small density and temperature variations in the previous method is removed. For illustration, a two-dimensional simulation of the rotating tank problem is formulated, and the numerical computation procedure to be used is indicated.

Martin, E. D.↗