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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 55 records · Page 3

Estimation of effective hydrologic properties of soils from observations of vegetation density

A one-dimensional model of the annual water balance is reviewed. Improvements are made in the method of calculating the bare soil component of evaporation, and in the way surface retention is handled. A natural selection hypothesis, which specifies the equilibrium vegetation density for a given, water limited, climate soil system, is verified through comparisons with observed data. Comparison of CDF's of annual basin yield derived using these soil properties with observed CDF's provides verification of the soil-selection procedure. This method of parameterization of the land surface is useful with global circulation models, enabling them to account for both the nonlinearity in the relationship between soil moisture flux and soil moisture concentration, and the variability of soil properties from place to place over the Earth's surface.

Tellers, T. E.↗

The effect of cumulus friction on the simulation of the January Hadley Circulation by the GLAS model of the general circulation

A method of parameterizing the vertical mixing of horizontal momentum by cumulus convection was added to the GLAS model of the general circulation of the tropics. Addition of the cumulus friction term strengthened the winter Hadley circulation and smoothed the mean meridional wind field, with a slight increase in the eddy kinetic energy. The results showed that the intensity of the meridional circulation is regulated by the atmosphere's angular momentum budget, changes in the zonally-averaged Coriolis force correlate with the new cumulus friction term, and the intensification of Hadley circulation is a response of the mean meridional flow field to the downward cumulus field of relative angular momentum in the winter hemisphere.

Helfand, H. M.↗

Development of a rotorcraft. Propulsion dynamics interface analysis, volume 1

The details of the modeling process and its implementation approach are presented. A generic methodology and model structure for performing coupled propulsion/rotor response analysis that is applicable to a variety of rotorcraft types was developed. A method for parameterizing the model structure to represent a particular rotorcraft is defined. The generic modeling methodology, the development of the propulsion system and the rotor/fuselage models, and the formulation of the resulting coupled rotor/propulsion system model are described. A test case that was developed is described.

Hull, R.↗

FIRE - The First ISCCP Regional Experiment

The First International Satellite Cloud Climatology Project Regional Experiment (FIRE) designed to study the roles of clouds, in particular marine stratocumulus and cirrus-cloud systems, in the global climate is discussed. The objectives of FIRE are: (1) to develop a cloud-classification scheme; (2) to validate and improve satellite cloud-retrieval techniques; (3) to improve cloud radiation models; (4) to collect cloud space/time statistics; (5) to improve cloud dynamics models; and (6) to validate and improve GCM cloud parameterizations. The methods used to acquire extended time data and intensive field observations are described. The extended time and intensive field data collected during the FIRE are to be archived in the NASA Pilot Climate Data System at Goddard Space Flight Center.

Cox, Stephen K.↗

The GPM Combined Algorithm

In this paper, the operational Global Precipitation Measurement (GPM) mission combined radar-radiometer algorithm is thoroughly described. The operational combined algorithm is designed to reduce uncertainties in GPM Core Observatory precipitation estimates by effectively integrating complementary information from the GPM Dual-Frequency Precipitation Radar (DPR) and the GPM Microwave Imager (GMI) into an optimal, physically consistent precipitation product. Although similar in many respects to previously developed combined algorithms, the GPM combined algorithm has several unique features that are specifically designed to meet the GPM objectives of deriving, based on GPM Core Observatory information, accurate and physically consistent precipitation estimates from multiple spaceborne instruments, and ancillary environmental data from reanalyses. The algorithm features an optimal estimation framework based on a statistical formulation of the Gauss-Newton method, a parameterization for the nonuniform distribution of precipitation within the radar fields of view, a methodology to detect and account for multiple scattering in Ka-band DPR observations, and a statistical deconvolution technique that allows for an efficient sequential incorporation of radiometer information into DPR precipitation retrievals.

Grecu, Mircea↗

Controlling radioisotope proportions when randomly sampling from Dirichlet distributions in PyRIID

As machine learning models for radioisotope quantification become more powerful, likewise the need for high-quality synthetic training data grows as well. For problem spaces that involve estimating the relative isotopic proportions of various sources in gamma spectra it is necessary to generate training data that accurately represents the variance of proportions encountered. In this report, we aim to provide guidance on how to target a desired variance of proportions which are randomly when using the PyRIID Seed Mixer, which samples from a Dirichlet distribution. We provide a method for properly parameterizing the Dirichlet distribution in order to maintain a constant variance across an arbitrary number of dimensions, where each dimension represents a distinct source template being mixed. We demonstrate that our method successfully parameterizes the Dirichlet distribution to target a specific variance of proportions, provided that several conditions are met. This allows us to follow a principled technique for controlling how random mixture proportions are generated which are then used downstream in the synthesis process to produce the final, noisy gamma spectra.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Electron Impact Ionization: A New Parameterization for 100 eV to 1 MeV Electrons

Low, medium and high energy electrons can penetrate to the thermosphere (90-400 km; 55-240 miles) and mesosphere (50-90 km; 30-55 miles). These precipitating electrons ionize that region of the atmosphere, creating positively charged atoms and molecules and knocking off other negatively charged electrons. The precipitating electrons also create nitrogen-containing compounds along with other constituents. Since the electron precipitation amounts change within minutes, it is necessary to have a rapid method of computing the ionization and production of nitrogen-containing compounds for inclusion in computationally-demanding global models. A new methodology has been developed, which has parameterized a more detailed model computation of the ionizing impact of precipitating electrons over the very large range of 100 eV up to 1,000,000 eV. This new parameterization method is more accurate than a previous parameterization scheme, when compared with the more detailed model computation. Global models at the National Center for Atmospheric Research will use this new parameterization method in the near future.

Fang, Xiaohua↗

Application and comparison of on-line identification methods for flexible manipulator control

The application of on-line identification schemes to flexible manipulators is considered. The common objective of all methods, for control purposes, is a time domain parameterization of the system transfer function. Time domain methods generally require more computational load, are more sensitive to noise than frequency domain methods, and suffer from over- (under-) parameterization of the transfer function. Frequency domain methods parameterize the lightly damped transfer function in terms of its easily recognizable poles and zeros and offer alternatives to time domain methods. Several solutions to overcome the aforementioned problems are discussed and demonstrated through experimental studies on a one-link flexible manipulator.

Tzes, Anthony P.↗

A simple theoretical model for calculating and parameterizing the ionospheric photoelectron flux

A method for calculating the ionospheric photoelectron flux is developed which uses the concept of average electron energy loss to simplify the calculation of the degraded electron spectrum. This method requires only a knowledge of the total inelastic electron impact cross sections and can be used for the calculation of all secondary ion and excited state production rates. The simple calculation reduces the computing time by a factor of 10 and considerably reduces storage requirements. It is found that the ionospheric photoelectron flux in the local equilibrium region is directly proportional to the attenuated solar EUV flux, which is a function only of the total neutral column density, and is independent of the neutral density composition. Thus, it is shown that electron impact cross section can be chosen so that this method may also be used to parameterize the measured ionospheric photoelectron fluxes.

Richards, P. G.↗

Average-cost based robust structural control

A method is presented for the synthesis of robust controllers for linear time invariant structural systems with parameterized uncertainty. The method involves minimizing quantities related to the quadratic cost (H2-norm) averaged over a set of systems described by real parameters such as natural frequencies and modal residues. Bounded average cost is shown to imply stability over the set of systems. Approximations for the exact average are derived and proposed as cost functionals. The properties of these approximate average cost functionals are established. The exact average and approximate average cost functionals are used to derive dynamic controllers which can provide stability robustness. The robustness properties of these controllers are demonstrated in illustrative numerical examples and tested in a simple SISO experiment on the MIT multi-point alignment testbed.

Hagood, Nesbitt W.↗

Assessing Raindrop Breakup Parameterizations Using Disdrometer Observations

In this work, an intercomparison of raindrop mean diameter frequency distribution (RDFD) is performed for numerical simulations of precipitating cloud systems using an array of models and microphysics schemes. This includes results from the Regional Atmospheric Modeling System (RAMS) double-moment microphysics, the Hebrew University Cloud Model bin microphysics (HUCM) interfaced to the RAMS parent model, and the Weather Research and Forecasting (WRF) Model with the Thompson, Morrison, double-moment 6-class (WDM6), and National Severe Storms Laboratory (NSSL) double-moment schemes. Simulations are examined with respect to the raindrop size distribution (DSD) volume-number mean diameter (D m ) and intercept parameter (N w ). When compared to a suite of disdrometer observations, the RDFD resulting from each microphysics scheme exhibits varying degrees of mean drop size constraints and peaks in the frequency distribution of D m . A more detailed investigation of the peaked RDFD from the RAMS simulations suggests that the parameterization of raindrop collisional breakup can impose strong limitations on the evolution of simulated drop growth. As such, a summary and comparison of the drop breakup parameterizations among the aforementioned microphysics schemes is presented. While some drop breakup parameterizations are adjusted toward the observations by modifying the threshold diameter for the onset of breakup, this study explores the use of a modified maximum breakup efficiency. This method permits the parameterization to retain its threshold breakup diameter, while limiting the strength of drop breakup and permitting a broader range of drop sizes. As a result, the simulated mean drop sizes are in better agreement with observations.

54 ENVIRONMENTAL SCIENCES↗

A three-dimensional radiative transfer method for optical remote sensing of vegetated land surfaces

A numerical method for solving the radiative transfer equation in three spatial dimensions is briefly discussed focusing on an efficient acceleration algorithm. The reliability of coding and accuracy of the algorithm are evaluated by benchmarking. Parameterization of the method and results of a simulation are presented to document the utility of the method for remote sensing applications. Attention is also given to a simple model of the hot spot effect and sample calculations.

Myneni, R. B.↗

Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

Semi-empirical quantum-mechanical (QM) methods have become valuable tools for studying complex (bio)molecular systems due to their balance between computational efficiency and accuracy. A key aspect of these methods is their parameterization, which not only governs the reliability of the results but also provides an opportunity to enhance their overall performance. In our previous work [J. Phys. Chem. Lett., 2021, 11, 16], we advanced the third-order semi-empirical density functional tight-binding (DFTB3) method for computing multiple properties of small molecules by developing the machine learning (ML) potential NN rep to bridge the gap between DFTB3 electronic components and those of the hybrid DFT-PBE0 functional. To overcome the limitations of NN rep , we introduce the EquiDTB framework, which leverages physics-inspired equivariant neural networks (NN) to parameterize scalable and transferable many-body Δ TB potentials, replacing the standard pairwise DFTB repulsive potential. This advancement extends the applicability of our ML-corrected DFTB approach to larger molecules and non-covalent systems (including only C, N, O, and H atoms), going beyond the chemical space represented in the training QM datasets. The enhanced performance of EquiDTB over the standard TB methods is demonstrated by the accurate computation of the atomic forces of S66x8 molecular dimers, as well as their interaction energies. Moreover, EquiDTB can be effectively employed to explore the potential energy surfaces of large and flexible drug-like molecules—for example, to determine the minimum energy path between isomers, analyze structural transitions during dynamical simulations, compute vibrational modes, and investigate energetic rankings. The performance for single molecules slightly decreases when the DFTB electronic energy is reduced to first-order but remains superior to standard TB methods. Our work thus demonstrates that an optimal integration of an equivariant NN with QM datasets can advance the DFTB method while maintaining high efficiency, paving the way for reliable (bio)molecular simulations.

Medrano Sandonas, Leonardo [Technische Universität↗

Active and machine learning-based approaches to rapidly enhance microbial chemical production

In order to make renewable fuels and chemicals from microbes, new methods are required to engineer microbes more intelligently. Computational approaches, to engineer strains for enhanced chemical production typically rely on detailed mechanistic models (e.g., kinetic/stoichiometric models of metabolism)—requiring many experimental datasets for their parameterization—while experimental methods may require screening large mutant libraries to explore the design space for the few mutants with desired behaviors. To address these limitations, we developed an active and machine learning approach (ActiveOpt) to intelligently guide experiments to arrive at an optimal phenotype with minimal measured datasets. In this study, ActiveOpt was applied to two separate case studies to evaluate its potential to increase valine yields and neurosporene productivity in Escherichia coli. In both the cases, ActiveOpt identified the best performing strain in fewer experiments than the case studies used. This work demonstrates that machine and active learning approaches have the potential to greatly facilitate metabolic engineering efforts to rapidly achieve its objectives.

60 APPLIED LIFE SCIENCES↗

Computation of vertical profiles of longwave radiative cooling over the equatorial Pacific

An important quantity whose magnitude has not been throughly examined is the vertical distribution of heating in the Tropics. The details of the vertical distribution of heating have a significant impact on a number of phenomena, including the 30-60 day oscillation, sometimes known as the intraseasonal oscillation. Prior attempts to establish the structure of the heating relied on limited field data or assimilated data, coupled with climatological radiative heating parameters. The availability of high quality global-scale datasets has made it possible to make more accurate calculations than were possible a few years ago. An important component of the apparent heat budget is the longwave radiative cooling, which in this paper is found by using the ECMWF/WCRP/TOGA Archive 2 and ISCCP C1 datasets, together with a well-established parameterization scheme. A method is developed that can be used to estimate the vertical structure of cloud amounts based on top-of-atmosphere cloud observations, and the results are used with a wide-band longwave parameterization to produce longwave cooling rates over the tropical Pacific Ocean. Outgoing longwave radiation is calculated and compared the ERBE results. The calculated values are generally higher than those from ERBE, though the spatial distributions are similar. Some significant problems exist with the ECMWF upper-tropospheric water vapor amounts, which could imply uncertainties of 0.5 C/day in the calculated cooling rates. This is comparable to the differences associated with the minimum or random overlap assumptions used to generate cloud profiles.

Ramsey, Perry G.↗

Learning Only on Boundaries: A Physics-Informed Neural Operator for Solving Parametric Partial Differential Equations in Complex Geometries

Recently, deep learning surrogates and neural operators have shown promise in solving partial differential equations (PDEs). However, they often require a large amount of training data and are limited to bounded domains. In this work, we present a novel physics-informed neural operator method to solve parameterized boundary value problems without labeled data. By reformulating the PDEs into boundary integral equations (BIEs), we can train the operator network solely on the boundary of the domain. This approach reduces the number of required sample points from $O(N^d)$ to $O(N^{d-1}$), where $d$ is the domain’s dimension, leading to a significant acceleration of the training process. Additionally, our method can handle unbounded problems, which are unattainable for existing physics-informed neural networks (PINNs) and neural operators. Finally, our numerical experiments show the effectiveness of parameterized complex geometries and unbounded problems.

97 MATHEMATICS AND COMPUTING↗

On the joint inversion of geophysical data for models of the coupled core-mantle system

Joint inversion of magnetic, earth rotation, geoid, and seismic data for a unified model of the coupled core-mantle system is proposed and shown to be possible. A sample objective function is offered and simplified by targeting results from independent inversions and summary travel time residuals instead of original observations. These data are parameterized in terms of a very simple, closed model of the topographically coupled core-mantle system. Minimization of the simplified objective function leads to a nonlinear inverse problem; an iterative method for solution is presented. Parameterization and method are emphasized; numerical results are not presented.

Voorhies, Coerte V.↗

Collocation methods for nonlinear differential equations on low-rank manifolds

We introduce new methods for integrating nonlinear differential equations on low-rank manifolds. These methods rely on interpolatory projections onto the tangent space, enabling low-rank time integration of vector fields that can be evaluated entry-wise. A key advantage of our approach is that it does not require the vector field to exhibit low-rank structure, thereby overcoming significant limitations of traditional dynamical low-rank methods based on orthogonal projection. To construct the interpolatory projectors, we develop a sparse tensor sampling algorithm based on the discrete empirical interpolation method (DEIM) that parameterizes tensor train manifolds and their tangent spaces with cross interpolation. Using these projectors, we propose two time integration schemes on low-rank tensor train manifolds. The first scheme integrates the solution at selected interpolation indices and constructs the solution with cross interpolation. The second scheme generalizes the well-known orthogonal projector-splitting integrator to interpolatory projectors. We demonstrate the proposed methods with applications to several tensor differential equations arising from the discretization of partial differential equations.

97 MATHEMATICS AND COMPUTING↗