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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Qualitative trend analysis based on a mixed-integer representation

Shape constrained spline fitting is a useful method to impose prior knowledge onto flexible semi-parametric models during parameter estimation. Most typically, the function shape is imposed through order restrictions on the regression coefficients. The intended shape is considered known or selected based on heuristic rules. In this study, we present a method to estimate the optimal set of order restrictions to segment a univariate data series into episodes with distinct shapes. This is also known as the qualitative trend analysis (QTA) problem. The obtained solution uses a trade-off between lack-of-fit and model complexity. Further, our practical implementation takes inspiration from the generalized order restricted information criterion (GORIC) for inequality-constrained model selection. From this, one learns (a) that QTA can be formulated as a mixed-integer quadratic program (MIQP) and (b) that the newly proposed mixed order restricted information criterion (MORIC) enables optimal segmentation. This is illustrated through didactic case studies.

42 ENGINEERING↗
NASA NTRS1990

A real-time approximate optimal guidance law for flight in a plane

A real-time guidance scheme is presented for the problem of maximizing the payload into orbit subject to the equations of motion of a rocket over a nonrotating spherical earth. The flight is constrained to a path in the equatorial plane while reaching an orbital altitude at orbital injection speeds. The dynamics of the problem can be separated into primary and perturbation effects by a small parameter, epsilon, which is the ratio of the atmospheric scale height to the radius of the earth. The Hamilton-Jacobi-Bellman or dynamic programming equation is expanded in an asymptotic series where the zeroth-order term (epsilon = 0) can be obtained in closed form. The neglected perturbation terms are included in the higher-order terms of the expansion, which are determined from the solution of first-order linear partial differential equations requiring only integrations which are quadratures. The quadratures can be performed rapidly with emerging computer capability, so that real-time approximate optimization can be used to construct the launch guidance law. The application of this technique to flight in three-dimensions is made apparent from the solution presented.

Feeley, Timothy S.↗
DOE OSTI2022

Limitations of Separate Cloud and Rain Categories in Parameterizing Collision-Coalescence for Bulk Microphysics Schemes

Warm rain collision-coalescence has been persistently difficult to parameterize in bulk microphysics schemes. We use a flexible bulk microphysics scheme with bin scheme process parameterizations, called AMP, to investigate reasons for the difficulty. AMP is configured in a variety of ways to mimic bulk schemes and is compared to simulations with the bin scheme upon which AMP is built. We find that an important limitation in traditional bulk schemes is the use of separate cloud and rain categories. When the drop size distribution is instead represented by a continuous distribution, the simulation of cloud-to-rain conversion is substantially improved. We also find large sensitivity to the threshold size to distinguish cloud and rain in traditional schemes; substantial improvement is found by decreasing the threshold from 40 to 25 μm. Neither the use of an assumed functional form for the size distribution nor the choice of predicted distribution moments has a large impact on the ability of AMP to simulate rain production. When predicting four total moments of the liquid drop size distribution, either with a traditional two-category, two-moment scheme with a reduced size threshold, or a four-moment single-category scheme, errors in the evolution of mass and the cloud size distribution are similar, but the single-category scheme has a substantially better representation of the rain size distribution. Optimal moment combinations for the single-category approach are investigated and appear to be linked more to the information content they provide for constraining the size distributions than to their correlation with collision-coalescence rates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Predicting core transport in ITER baseline discharges with neon injections

Achieving self-consistent performance predictions for ITER requires integrated modeling of core transport and divertor power exhaust under realistic impurity conditions. We present results from a systematic power-flow and impurity-content study for the ITER 15 MA baseline scenario constrained directly by existing SOLPS-ITER neon-seeded divertor solutions. Using the OMFIT STEP workflow, stationary temperature and density profiles are predicted with TGYRO for $1.5 \unicode{x2A7D} Z_\textrm{eff} \unicode{x2A7D} 2.5$, and the corresponding power crossing the separatrix $P_\textrm{sep}$ is evaluated. We find that $P_\textrm{sep}$ varies by more than a factor of 1.7 across this scan and matches the ${\sim}100$ MW SOLPS-ITER prediction when $Z_\textrm{eff} \simeq 1.6$ or when auxiliary heating is reduced to ${\sim}75\%$ of nominal. Rotation-sensitivity studies show that plausible variations in toroidal flow magnitude modify $P_\textrm{sep}$ by $\lesssim 20\%$, while AURORA modeling confirms that charge-exchange radiation inside the separatrix is dynamically negligible under predicted ITER neutral densities. These results identify a restricted compatibility window, $Z_\textrm{eff} \approx 1.6$ –1.75 and $0.75 \lesssim f_{P_\textrm{aux}} \unicode{x2A7D} 1.0$, in which core transport predictions remain aligned with neon-seeded divertor protection targets. This self-consistent, model-constrained framework provides actionable guidance for impurity control and auxiliary-heating scheduling in early ITER operation and supports future whole-device scenario optimization.

ITER↗
NASA NTRS1999

Ankle and hip postural strategies defined by joint torques

Previous studies have identified two discrete strategies for the control of posture in the sagittal plane based on EMG activations, body kinematics, and ground reaction forces. The ankle strategy was characterized by body sway resembling a single-segment-inverted pendulum and was elicited on flat support surfaces. In contrast, the hip strategy was characterized by body sway resembling a double-segment inverted pendulum divided at the hip and was elicited on short or compliant support surfaces. However, biomechanical optimization models have suggested that hip strategy should be observed in response to fast translations on a flat surface also, provided the feet are constrained to remain in contact with the floor and the knee is constrained to remain straight. The purpose of this study was to examine the experimental evidence for hip strategy in postural responses to backward translations of a flat support surface and to determine whether analyses of joint torques would provide evidence for two separate postural strategies. Normal subjects standing on a flat support surface were translated backward with a range of velocities from fast (55 cm/s) to slow (5 cm/s). EMG activations and joint kinematics showed pattern changes consistent with previous experimental descriptions of mixed hip and ankle strategy with increasing platform velocity. Joint torque analyses revealed the addition of a hip flexor torque to the ankle plantarflexor torque during fast translations. This finding indicates the addition of hip strategy to ankle strategy to produce a continuum of postural responses. Hip torque without accompanying ankle torque (pure hip strategy) was not observed. Although postural control strategies have previously been defined by how the body moves, we conclude that joint torques, which indicate how body movements are produced, are useful in defining postural control strategies. These results also illustrate how the biomechanics of the body can transform discrete control patterns into a continuum of postural corrections.

Non-NASA Center↗
NASA NTRS2022

Limitations of Separate Cloud and Rain Categories in Parameterizing Collision-Coalescence for Bulk Microphysics Schemes

Warm rain collision-coalescence has been persistently difficult to parameterize in bulk microphysics schemes. We use a flexible bulk microphysics scheme with bin scheme process parameterizations, called AMP, to investigate reasons for the difficulty. AMP is configured in a variety of ways to mimic bulk schemes and is compared to simulations with the bin scheme upon which AMP is built. We find that an important limitation in traditional bulk schemes is the use of separate cloud and rain categories. When the drop size distribution is instead represented by a continuous distribution, the simulation of cloud-to-rain conversion is substantially improved. We also find large sensitivity to the threshold size to distinguish cloud and rain in traditional schemes; substantial improvement is found by decreasing the threshold from 40 to 25 μm. Neither the use of an assumed functional form for the size distribution nor the choice of predicted distribution moments has a large impact on the ability of AMP to simulate rain production. When predicting four total moments of the liquid drop size distribution, either with a traditional two-category, two-moment scheme with a reduced size threshold, or a four-moment single-category scheme, errors in the evolution of mass and the cloud size distribution are similar, but the single-category scheme has a substantially better representation of the rain size distribution. Optimal moment combinations for the single-category approach are investigated and appear to be linked more to the information content they provide for constraining the size distributions than to their correlation with collision-coalescence rates.

autoconversion↗
DOE OSTI2025

Reward based optimization of resonance-enhanced piezoresponse spectroscopy

Dynamic spectroscopies in scanning probe microscopy (SPM) are critical for probing material properties, such as force interactions, mechanical properties, polarization switching, electrochemical reactions, and ionic dynamics. However, the practical implementation of these measurements is constrained by the need to balance imaging time and data quality. Signal to noise requirements favor long acquisition times and high frequencies to improve signal fidelity. However, these are limited on the low end by contact resonant frequency and photodiode sensitivity and on the high end by the time needed to acquire high-resolution spectra or the propensity for sample degradation under high field excitation over long times. The interdependence of key parameters such as instrument settings, acquisition times, and sampling rates makes manual tuning labor-intensive and highly dependent on user expertise, often yielding operator-dependent results. These limitations are prominent in techniques like dual amplitude resonance tracking in piezoresponse force microscopy that utilize multiple concurrent feedback loops for topography and resonance frequency tracking. Here, a reward-driven workflow is proposed that automates the tuning process, adapting experimental conditions in real time to optimize data quality. Furthermore, this approach significantly reduces the complexity and time required for manual adjustments and can be extended to other SPM spectroscopic methods, enhancing overall efficiency and reproducibility.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Radar-Based Bayesian Estimation of Ice Crystal Growth Parameters within a Microphysical Model

The potential for polarimetric Doppler radar measurements to improve predictions of ice microphysical processes within an idealized model–observational framework is examined. In an effort to more rigorously constrain ice growth processes (e.g., vapor deposition) with observations of natural clouds, a novel framework is developed to compare simulated and observed radar measurements, coupling a bulk adaptive-habit model of vapor growth to a polarimetric radar forward model. Bayesian inference on key microphysical model parameters is then used, via a Markov chain Monte Carlo sampler, to estimate the probability distribution of the model parameters. The statistical formalism of this method allows for robust estimates of the optimal parameter values, along with (non-Gaussian) estimates of their uncertainty. To demonstrate this framework, observations from Department of Energy radars in the Arctic during a case of pristine ice precipitation are used to constrain vapor deposition parameters in the adaptive habit model. The resulting parameter probability distributions provide physically plausible changes in ice particle density and aspect ratio during growth. A lack of direct constraint on the number concentration produces a range of possible mean particle sizes, with the mean size inversely correlated to number concentration. Consistency is found between the estimated inherent growth ratio and independent laboratory measurements, increasing confidence in the parameter PDFs and demonstrating the effectiveness of the radar measurements in constraining the parameters. Furthermore, the combined Doppler and polarimetric observations produce the highest-confidence estimates of the parameter PDFs, with the Doppler measurements providing a stronger constraint for this case.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2021

Radar-Based Bayesian Estimation of Ice Crystal Growth Parameters within a Microphysical Model

The potential for polarimetric Doppler radar measurements to improve predictions of ice microphysical processes within an idealized model–observational framework is examined. In an effort to more rigorously constrain ice growth processes (e.g., vapor deposition) with observations of natural clouds, a novel framework is developed to compare simulated and observed radar measurements, coupling a bulk adaptive-habit model of vapor growth to a polarimetric radar forward model. Bayesian inference on key microphysical model parameters is then used, via a Markov chain Monte Carlo sampler, to estimate the probability distribution of the model parameters. The statistical formalism of this method allows for robust estimates of the optimal parameter values, along with (non-Gaussian) estimates of their uncertainty. To demonstrate this framework, observations from Department of Energy radars in the Arctic during a case of pristine ice precipitation are used to constrain vapor deposition parameters in the adaptive habit model. The resulting parameter probability distributions provide physically plausible changes in ice particle density and aspect ratio during growth. A lack of direct constraint on the number concentration produces a range of possible mean particle sizes, with the mean size inversely correlated to number concentration. Consistency is found between the estimated inherent growth ratio and independent laboratory measurements, increasing confidence in the parameter PDFs and demonstrating the effectiveness of the radar measurements in constraining the parameters. The combined Doppler and polarimetric observations produce the highest-confidence estimates of the parameter PDFs, with the Doppler measurements providing a stronger constraint for this case.

Robert S. Schrom↗
DOE OSTI2021

Optimal Cosmic Microwave Background Lensing Reconstruction and Parameter Estimation with SPTpol Data

Here, we perform the first simultaneous Bayesian parameter inference and optimal reconstruction of the gravitational lensing of the cosmic microwave background (CMB), using 100 deg 2 of polarization observations from the SPTpol receiver on the South Pole Telescope. These data reach noise levels as low as 5.8 μK arcmin in polarization, which are low enough that the typically used quadratic estimator (QE) technique for analyzing CMB lensing is significantly suboptimal. Conversely, the Bayesian procedure extracts all lensing information from the data and is optimal at any noise level. We infer the amplitude of the gravitational lensing potential to be ${A}_{\phi }=0.949\,\pm \,0.122$ using the Bayesian pipeline, consistent with our QE pipeline result, but with 17% smaller error bars. The Bayesian analysis also provides a simple way to account for systematic uncertainties, performing a similar job as frequentist "bias hardening" or linear bias correction, and reducing the systematic uncertainty on A Φ due to polarization calibration from almost half of the statistical error to effectively zero. Finally, we jointly constrain A Φ along with A L , the amplitude of lensing-like effects on the CMB power spectra, demonstrating that the Bayesian method can be used to easily infer parameters both from an optimal lensing reconstruction and from the delensed CMB, while exactly accounting for the correlation between the two. These results demonstrate the feasibility of the Bayesian approach on real data, and pave the way for future analysis of deep CMB polarization measurements with SPT-3G, Simons Observatory, and CMB-S4, where improvements relative to the QE can reach 1.5 times tighter constraints on A Φ and seven times lower effective lensing reconstruction noise.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1976

Structural optimization via a design space hierarchy

Mathematical programming techniques provide a general approach to automated structural design. An iterative method is proposed in which design is treated as a hierarchy of subproblems, one being locally constrained and the other being locally unconstrained. It is assumed that the design space is locally convex in the case of good initial designs and that the objective and constraint functions are continuous, with continuous first derivatives. A general design algorithm is outlined for finding a move direction which will decrease the value of the objective function while maintaining a feasible design. The case of one-dimensional search in a two-variable design space is discussed. Possible applications are discussed. A major feature of the proposed algorithm is its application to problems which are inherently ill-conditioned, such as design of structures for optimum geometry.

Vanderplaats, G. N.↗
NASA NTRS2015

LMI-Based Multiobjective Optimization and Control of Flexible Aircraft Using VCCTEF

This paper considers the control of coupled aeroelastic aircraft model with Variable Camber Continuous Trailing Edge Flap (VCCTEF) system. The relative motion between two adjacent flaps is constrained and this actuation constraint problem is converted into an output covariance constraint problem, and therefore can be formulated using linear matrix inequalities (LMIs). A set of LMI conditions is derived for the design of an observer-based dynamic output feedback controller for VCCTEF configured aeroelastic aircraft model. The proposed controller is then applied to the NASA Generic Transport Model (GTM) for simulation, and the results demonstrate the efficacy of the proposed approach.

LMI control↗
DOE OSTI2020

PyCDFT: A Python package for constrained density functional theory

In this paper, we present PyCDFT, a Python package to compute diabatic states using constrained density functional theory (CDFT). PyCDFT provides an object-oriented, customizable implementation of CDFT, and allows for both single-point self-consistent-field calculations and geometry optimizations. PyCDFT is designed to interface with existing density functional theory (DFT) codes to perform CDFT calculations where constraint potentials are added to the Kohn–Sham Hamiltonian. Here, we demonstrate the use of PyCDFT by performing calculations with a massively parallel first-principles molecular dynamics code, Qbox, and we benchmark its accuracy by computing the electronic coupling between diabatic states for a set of organic molecules. We show that PyCDFT yields results in agreement with existing implementations and is a robust and flexible package for performing CDFT calculations. The program is available at https://dx.doi.org/10.5281/zenodo.3821097.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Unsteady aerodynamic loads on pitching aerofoils represented by Gaussian body force distributions

The actuator line model (ALM) is an approach commonly used to represent lifting and dragging devices like wings and blades in large-eddy simulations (LES). The crux of the ALM is the projection of the actuator point forces onto the LES grid by means of a Gaussian regularisation kernel. The minimum width of the kernel is constrained by the grid size; however, for most practical applications like LES of wind turbines, this value is an order of magnitude larger than the optimal value that maximises accuracy. This discrepancy motivated the development of corrections for the actuator line, which, however, neglect the effect of unsteady spanwise shed vorticity. In this work we develop a model for the impact of spanwise shed vorticity on the unsteady loading of an aerofoil modelled as a Gaussian body force distribution, where the model is applicable within the regime of unsteady attached flow. The model solution is derived both in the time and frequency domain and features an explicit dependence on the Gaussian kernel width. We verify the model with ALM-LES for both pitch steps and periodic pitching. The model solution is compared with Theodorsen theory and validated with both computational fluid dynamics using body fitted grids and experiment. It is concluded that the optimal kernel width for unsteady aerodynamics is approximately 40 % of the chord. The ALM is able to predict the magnitude of the unsteady loading up to a reduced frequency of 𝑘 ≈ 0.2.

17 WIND ENERGY↗
DOE OSTI2021

Freedom of the mixer rotation axis improves performance in the quantum approximate optimization algorithm

Variational quantum algorithms such as the quantum approximate optimization algorithm (QAOA) are particularly attractive candidates for implementation on near-term quantum processors. As hardware realities such as error and qubit connectivity will constrain achievable circuit depth in the near future, new ways to achieve high performance at low depth are of great interest. In this work, we present a modification to QAOA that adds additional variational parameters in the form of freedom of the rotation axis in the XY plane of the mixer Hamiltonian. Here, via numerical simulation, we show that this leads to a drastic performance improvement over standard QAOA at finding solutions to the MaxCut problem on graphs of up to seven qubits. Furthermore, we explore the Z-phase error mitigation properties of our modified Ansatz, its performance under a realistic error model for a neutral atom quantum processor, and the class of problems it can solve in a single round.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Restoring Critical Loads In Resilient Distribution Systems using A Curriculum Learned Controller

In this paper, we propose a curriculum learned reinforcement learning (RL) controller to facilitate distribution system critical load restoration (CLR), leveraging RL's fast online response and its outstanding optimal sequential control capability. Like many grid control problems, CLR is complicated due to the large control action space and renewable uncertainty in a heavily constrained non-linear environment with strong intertemporal dependency. The nature of the problem oftentimes causes the RL policy to converge to a poor-performing local optimum if learned directly. To overcome this, we design a two-stage curriculum in which the RL agent will learn generation control and load restoration decision under different scenarios progressively. Via curriculum learning, the trained RL controller is expected to achieve a better control performance, with critical loads restored as rapidly and reliably as possible. Using the IEEE 13-bus test system, we illustrate the performance of the RL controller trained by the proposed curriculum-based method.

curriculum learning↗