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At least 847 records · Page 47

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NASA NTRS1983

Vector wind profile gust model

A five parameter gamma distribution (BGD) having two shape parameters, two location parameters, and a correlation parameter is investigated. This general BGD is expressed as a double series and as a single series of the modified bessel function, and reduces to the known special case for equal shape parameters. Practical functions for computer evaluations for the general BGD and for special cases are presented. Applications are to be bound in reliability theory, signal noise, and meteorology. Applications to wind gust modeling for the ascent flight of the space shuttle are illustrated.

Adelfang, S. I.↗

NASA NTRS1995

Self-Incorporation of Coenzymes by Ribozymes

RNA molecules that are assembled from the four standard nucleotides contain a limited number of chemical functional groups, a characteristic that is generally thought to restrict the potential for catalysis by ribozymes. Although polypeptides carry a wider range of functional groups, many contemporary protein-based enzymes employ coenzymes to augment their capabilities. The coenzymes possess additional chemical moieties that can participate directly in catalysis and thereby enhance catalytic function. In this work, we demonstrate a mechanism by which ribozymes can supplement their limited repertoire of functional groups through RNAcatalyzed incorporation of various coenzymes and coenzyme analogues. The group I ribozyme of Tetrahymena thermophila normally mediates a phosphoester transfer reaction that results in the covalent attachment of guanosine to the ribozyme. Here, a shortened version of the ribozyme is shown to catalyze the self-incorporation of coenzymes and coenzyme analogues, such as NAD+ and dephosphorylated CoA-SH. Similar ribozyme activities may have played an important role in the "RNA world," when RNA enzymes are thought to have maintained a complex metabolism in the absence of proteins and would have benefited from the inclusion of additional functional groups.

Breaker, Ronald R.↗

DOE OSTI2026

Mott vs Kondo: Influence of various density functional based methods on the Ce isostructural phase transition mechanism

The cerium iso-structural phase transition (γ–α) is dominated by f-electron localization changes that results in a magnetic ordering change and a volume collapse. Generally, these physics are difficult to capture with ab initio and first principles methods. However, previous works have shown various methods to be successful in predicting at least some of the physics of the γ to α phase transition. Therefore, here, we perform a broad survey of density functional based methods across three levels of theory and types of functions [GGA (generalized gradient approximation), MetaGGA, and hybrid functionals] and compare the results, focusing on hydrostatic compression across the phase boundary at zero kelvin. For the methods that best reproduce experimental results, we directly probe the predicted mechanisms and frame the results in the Mott/Kondo debate, assessing how the underlying methods and assumptions of different functionals can assess the physical drivers in the phase transition, providing insight into the governing processes of this unique phase transition.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Einstein–Rosen waves and the Geroch group

Under the action of the Geroch group, the Minkowski metric can be transformed into any vacuum metric with two commuting Killing vectors. In principle, this reduces the problem of deriving vacuum metrics with two commuting Killing vectors to pure algebra. In this short note, we use these facts to give a purely algebraic derivation of the Einstein-Rosen metric, which describes a cylindrical gravitational wave. Furthermore, our derivation has a straightforward extension to gravitational pulse waves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1980

Polynomial approximation of functions in Sobolev spaces

Constructive proofs and several generalizations of approximation results of J. H. Bramble and S. R. Hilbert are presented. Using an averaged Taylor series, we represent a function as a polynomial plus a remainder. The remainder can be manipulated in many ways to give different types of bounds. Approximation of functions in fractional order Sobolev spaces is treated as well as the usual integer order spaces and several nonstandard Sobolev-like spaces.

Dupont, T.↗

DOE OSTI2025

SineKAN: Kolmogorov-Arnold Networks using sinusoidal activation functions

Recent work has established an alternative to traditional multi-layer perceptron neural networks in the form of Kolmogorov-Arnold Networks (KAN). The general KAN framework uses learnable activation functions on the edges of the computational graph followed by summation on nodes. The learnable edge activation functions in the original implementation are basis spline functions (B-Spline). Here, we present a model in which learnable grids of B-Spline activation functions are replaced by grids of re-weighted sine functions (SineKAN). We evaluate numerical performance of our model on a benchmark vision task. We show that our model can perform better than or comparable to B-Spline KAN models and an alternative KAN implementation based on periodic cosine and sine functions representing a Fourier Series. Further, we show that SineKAN has numerical accuracy that could scale comparably to dense neural networks (DNNs). Compared to the two baseline KAN models, SineKAN achieves a substantial speed increase at all hidden layer sizes, batch sizes, and depths. Current advantage of DNNs due to hardware and software optimizations are discussed along with theoretical scaling. Additionally, properties of SineKAN compared to other KAN implementations and current limitations are also discussed.

Reinhardt, Eric↗

DOE OSTI2025

Constraining calculations of Pu 239 ( n , γ ) cross sections with multistep cascade γ -ray spectra measured at the DANCE facility

Measurements of multistep cascade gamma-ray spectra from several low-lying 1 + resonances in the Pu 239 ( n , γ ) reaction were made using the DANCE detector. The measured spectra are compared to spectra simulated using several models for the photon strength function and the nuclear level density, representing the first analysis of this nature on a fissile nucleus. In general, models of the photon strength function that included a strong M 1 “scissors mode” contribution coupled with a Gilbert-Cameron nuclear level density provided a reasonable description of the spectra. Simulations using photon strength functions and nuclear level densities specifically for Pu 240 , extracted by the Oslo method, resulted in a very good representation of the measured spectra. Neutron-capture cross section calculations that included the scissors mode provided a good estimate of the previously measured values, without additional normalization. However, the scissors-mode energy that produced the best description of the multistep cascade spectra was different from the value that best reproduced the capture cross section. In addition, the 〈 Γ γ 〉 inferred from the multistep cascade calculations was somewhat less than the tabulated value, which was determined from resonance analysis. Published by the American Physical Society 2025

Ullmann, J. L. (ORCID:0000000207784405)↗

NASA NTRS1978

A note on the averaging method

A simple problem of a two-body system perturbed by the disturbing function epsilon/r-squared is considered to show that the time-averaged equations of the true and mean anomaly are not necessarily equal. Secular effects due to perturbations in the mean and true anomalies are different not only in value but also in sign. A more general case where the disturbing function is periodic with respect to the mean anomaly is also considered. Here a discrepancy in the time-averaged solutions is due to the fact that the mean anomaly is an action-angle variable conjugate to the action variable L, while the true anomaly is not. When the action-angle variables are chosen as dependent variables, the Hamiltonian is a function only of action variables. One must first derive first-order solutions, substitute them into the right-hand side of the equations of motion, and then take time averages.

Kinoshita, H.↗

NASA NTRS1988

Nonlinear Analysis Of Rotor Dynamics

Study explores analytical consequences of nonlinear Jeffcott equations of rotor dynamics. Section 1: Summary of previous studies. Section 2: Jeffcott Equations. Section 3: Proves two theorems that provide inequalities on coefficients of differential equations and magnitude of forcing function in absence of side force. Section 4: Numerical investigation of multiple-forcing-function problem by introducing both side force and mass imbalance. Section 5: Examples of numberical solutions of complex generalized Jeffcott equation with two forcing functions of different frequencies f1 and f2. Section 6: Boundedness and stability of solutions.Section 7: Concludes report reviewing analytical results and significance.

Day, William B.↗

NASA NTRS1988

A new approach to resonance line scattering in planetary atmospheres

The invariant imbedding technique is applied to the problem of resonance line scattering with frequency redistribution. By applying the principles of invariance to the resonance line scattering problem a set of non-linear, integrodifferential equations for the scattering and transmission functions are derived. Thus, an alternate approach to the resonance line scattering problem is presented. Rather than solving for the specific intensity directly the invariant imbedding equations may be solved for the scattering and transmission functions from which the specific intensity may be calculated. The technique is very general and in principle, can accommodate scattering in inhomogeneous atmospheres with arbitrary frequency redistribution and scattering phase functions. Solutions to the invariant imbedding equations in some simple cases are presented. If the scattering is isotropic and completely noncoherent and the atmosphere may be modeled as homogeneous, the scattering and transmission functions may be expressed in terms of generalized H, X and Y functions. This technique is extended to the problems of coupled spectral lines and scattering of radiation from internal sources.

Yelle, Roger V.↗

NASA NTRS1986

Eigenfunction methods in magnetospheric radial-diffusion theory

Complete sets of orthonormal basis functions constructed according to a generalization of the quantum-mechanical WKB approximation can be used to generate a nearly-diagonal matrix representation of the radial-transport operator for ring-current ions in the presence of radial diffusion and charge exchange. The resulting eigenfunctions (constructed by weighting the basis functions in proportion to the respective components of the eigenvectors of the matrix representation) and eigenvalues provide a spatial and temporal description of the evolving phase-space density during and following a magnetospheric disturbance (e.g., a magnetic storm). A linear superposition of the basis functions can also be used to eliminate any discrepancy between the steady-state solution of the transport equation and the appropriate WKB approximation of this steady-state solution.

Schulz, Michael↗

NASA NTRS2005

Small-Scale Drop Size Variability: Impact on Estimation of Cloud Optical Properties

Most cloud radiation models and conventional data processing techniques assume that the mean number of drops of a given radius is proportional to volume. The analysis of microphysical data on liquid water drop sizes shows that, for sufficiently small volumes, this proportionality breaks down; the number of cloud drops of a given radius is instead proportional to the volume raised to a drop size-dependent nonunit power. The coefficient of proportionality, a generalized drop concentration, is a function of the drop size. For abundant small drops the power is unity as assumed in the conventional approach. However, for rarer large drops, it falls increasingly below unity. This empirical fact leads to drop clustering, with the larger drops exhibiting a greater degree of clustering. The generalized drop concentration shows the mean number of drops per cluster, while the power characterizes the occurrence frequency of clusters. With a fixed total number of drops in a cloud, a decrease in frequency of clusters is accompanied by a corresponding increase in the generalized concentration. This initiates a competing process missed in the conventional models: an increase in the number of drops per cluster enhances the impact of rarer large drops on cloud radiation while a decrease in the frequency suppresses it. Because of the nonlinear relationship between the number of clustered drops and the volume, these two opposite tendencies do not necessarily compensate each other. The data analysis suggests that clustered drops likely have a stronger radiative impact compared to their unclustered counterpart; ignoring it results in underestimation of the contribution from large drops to cloud horizontal optical path.

Knyazikhin, Y.↗

DOE OSTI2024

Modeling with uncertainty quantification reveals the essentials of a non-canonical algal carbon-concentrating mechanism

The thermoacidophilic red alga Cyanidioschyzon merolae survives its challenging environment likely in part by operating a carbon-concentrating mechanism (CCM). Here, we demonstrated that C. merolae 's cellular affinity for CO 2 is stronger than the affinity of its rubisco for CO 2 . This finding provided additional evidence that C. merolae operates a CCM while lacking the structures and functions characteristic of CCMs in other organisms. To test how such a CCM could function, we created a mathematical compartmental model of a simple CCM, distinct from those we have seen previously described in detail. The results of our modeling supported the feasibility of this proposed minimal and non-canonical CCM in C. merolae . To facilitate the robust modeling of this process, we measured and incorporated physiological and enzymatic parameters into the model. Additionally, we trained a surrogate machine-learning model to emulate the mechanistic model and characterized the effects of model parameters on key outputs. This parameter exploration enabled us to identify model features that influenced whether the model met the experimentally derived criteria for functional carbon concentration and efficient energy usage. Such parameters included cytosolic pH, bicarbonate pumping cost and kinetics, cell radius, carboxylation velocity, number of thylakoid membranes, and CO 2 membrane permeability. Our exploration thus suggested that a non-canonical CCM could exist in C. merolae and illuminated the essential features generally necessary for CCMs to function.

Steensma, Anne K. [Michigan State Univ., East Lans↗

DOE OSTI2022

First-principles study of L -shell iron and chromium opacity at stellar interior temperatures

Recently developed free-energy density functional theory (DFT)-based methodology for optical property calculations of warm dense matter has been applied for studying L-shell opacity of iron and chromium at T = 182 eV. We use Mermin–Kohn–Sham density functional theory with a ground-state and a fully temperature-dependent generalized gradient approximation exchange-correlation (XC) functionals. It is demonstrated that the role of XC at such a high-T is negligible due to the total free-energy of interacting system being dominated by the noninteracting free-energy term in agreement with estimations for the homogeneous electron gas. Furthermore, our DFT predictions are compared to the radiative emissivity and opacity of dense plasmas model, to the real-space Greens function method, and to experimental measurements. Good agreement is found between all three theoretical methods, and in the bound–continuum region for Cr when compared to the experiment, while the discrepancy between direct DFT calculations and the experiment for Fe remains essentially the same as for plasma-physics models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Generalized Canonical Polyadic Tensor Decomposition

Tensor decomposition is a fundamental unsupervised machine learning method in data science, with applications including network analysis and sensor data processing. This work develops a generalized canonical polyadic (GCP) low-rank tensor decomposition that allows other loss functions besides squared error. For instance, we can use logistic loss or Kullback--Leibler divergence, enabling tensor decomposition for binary or count data. We present a variety of statistically motivated loss functions for various scenarios. We provide a generalized framework for computing gradients and handling missing data that enables the use of standard optimization methods for fitting the model. Furthermore, we demonstrate the flexibility of the GCP decomposition on several real-world examples including interactions in a social network, neural activity in a mouse, and monthly rainfall measurements in India.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1963

Digital equipment for the antenna pointing system

This paper describes the digital control and data processing portions of the antenna pointing system used to track the Telstar satellite. The description is functional in nature, giving the form of the inputs, the functions performed, and the outputs produced. A general description of the digital equipment is followed by a discussion of the functions performed by the subsystems, the operational modes provided, the equipment features, and the operating experience.

DIRECTIONAL CONTROL↗

NASA NTRS2013

Implementation of a Goal-Based Systems Engineering Process Using the Systems Modeling Language (SysML)

Building upon the purpose, theoretical approach, and use of a Goal-Function Tree (GFT) being presented by Dr. Stephen B. Johnson, described in a related Infotech 2013 ISHM abstract titled "Goal-Function Tree Modeling for Systems Engineering and Fault Management", this paper will describe the core framework used to implement the GFTbased systems engineering process using the Systems Modeling Language (SysML). These two papers are ideally accepted and presented together in the same Infotech session. Statement of problem: SysML, as a tool, is currently not capable of implementing the theoretical approach described within the "Goal-Function Tree Modeling for Systems Engineering and Fault Management" paper cited above. More generally, SysML's current capabilities to model functional decompositions in the rigorous manner required in the GFT approach are limited. The GFT is a new Model-Based Systems Engineering (MBSE) approach to the development of goals and requirements, functions, and its linkage to design. As a growing standard for systems engineering, it is important to develop methods to implement GFT in SysML. Proposed Method of Solution: Many of the central concepts of the SysML language are needed to implement a GFT for large complex systems. In the implementation of those central concepts, the following will be described in detail: changes to the nominal SysML process, model view definitions and examples, diagram definitions and examples, and detailed SysML construct and stereotype definitions.

Patterson, Jonathan D.↗

NASA NTRS2013

Implementation of a Goal-Based Systems Engineering Process Using the Systems Modeling Language (SysML)

Breckenridge, Jonathan T.↗