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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Mathematical model and software complex for computer simulation of field emission electron sources

The software complex developed in MATLAB allows modelling of function of diode and triode structures based on field emission electron sources with complex sub-micron geometry, their volt-ampere characteristics, calculating distribution of electric field for educational and research needs. The goal of this paper is describing the physical-mathematical model, calculation methods and algorithms the software complex is based on, demonstrating the principles of its function and showing results of its work. For getting to know the complex, a demo version with graphical user interface is presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Plasma thermal transport with a generalized 8-moment distribution function

Moment equations that model plasma transport require an ansatz distribution function to close the system of equations. The resulting transport is sensitive to the specific closure used, and several options have been proposed in the literature. Two different 8-moment distribution functions can be generalized to form a single-parameter family of distribution functions. The transport coefficients resulting from this generalized distribution function can be expressed in terms of this free parameter. This provides the flexibility of matching the 8-moment model to some validating result at a given magnetization value, such as Braginskii’s transport, or the more recent results of Davies et al. [Physics of Plasma, 28, 012305 (2021)]. Here, this process can be thought of as solving for the 8-moment distribution function that matches the value of a transport coefficient given by a Chapman-Enskog expansion, while retaining the improved physical properties, such as finite propagation speeds and time dependence which belong to the hyperbolic moment models. Since the presented generalized distribution function only has a single free parameter, only a single transport coefficient can be matched at a time. However, this generalization process may be extended to provide multiple free parameters. The focus of this Brief Communication is on the dramatically improved thermal conductivity of the proposed model compared to the two base moment models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Photoelectron angular distributions for states of any mixed character: An experiment-friendly model for atomic, molecular, and cluster anions

We present a model for laboratory-frame photoelectron angular distributions in direct photodetachment from (in principle) any molecular orbital using linearly polarized light. A transparent mathematical approach is used to generalize the Cooper-Zare central-potential model to anionic states of any mixed character. In the limit of atomic-anion photodetachment, the model reproduces the Cooper-Zare formula. In the case of an initial orbital described as a superposition of s and p-type functions, the model yields the previously obtained s-p mixing formula. The formalism is further advanced using the Hanstorp approximation, whereas the relative scaling of the partial-wave cross-sections is assumed to follow the Wigner threshold law. The resulting model describes the energy dependence of photoelectron anisotropy for any atomic, molecular, or cluster anions, usually without requiring a direct calculation of the transition dipole matrix elements. As a benchmark case, we apply the p-d variant of the model to the experimental results for NO{sup −} photodetachment and show that the observed anisotropy trend is described well using physically meaningful values of the model parameters. Overall, the presented formalism delivers insight into the photodetachment process and affords a new quantitative strategy for analyzing the photoelectron angular distributions and characterizing mixed-character molecular orbitals using photoelectron imaging spectroscopy of negative ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Interface properties and built-in potential profile of a LaCr O 3 / SrTi O 3 superlattice determined by standing-wave excited photoemission spectroscopy

LaCrO 3 (LCO)/SrTiO 3 (STO) heterojunctions are intriguing due to a polar discontinuity along [001], exhibiting two distinct and controllable charged interface structures [(LaO) + /(TiO 2 ) 0 and (SrO) 0 /(CrO 2 ) - ] with induced polarization, and a resulting depth-dependent potential. In this study, we have used soft- and hard-x-ray standing-wave excited photoemission spectroscopy (SW-XPS) to quantitatively determine the elemental depth profile, interface properties, and depth distribution of the polarization-induced built-in potentials. We observe an alternating charged interface configuration: a positively charged (LaO) + /(TiO 2 ) 0 intermediate layer at the LCO top /STO bottom interface and a negatively charged (SrO) 0 /(CrO 2 ) - intermediate layer at the STO top /LCO bottom interface. Using core-level SW data, we have determined the depth distribution of species, including through the interfaces, and these results are in excellent agreement with scanning transmission electron microscopy and electron energy-loss spectroscopy mapping of local structure and composition. SW-XPS also enabled deconvolution of the LCO and STO contributions to the valence-band (VB) spectra. Using a two-step analytical approach involving first SW-induced core-level binding-energy shifts and then VB modeling, the variation in potential across the complete superlattice is determined in detail. As a result, this potential is in excellent agreement with density functional theory models, confirming this method as a generally useful tool for interface studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Integration of Human Reliability Analysis Models into the Simulation-Based Framework for the Risk-Informed Safety Margin Characterization Toolkit

This report presents an application of a computation-based human reliability analysis (HRA) framework called the Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER). HUNTER has been developed not as a standalone HRA method but rather as framework that ties together different HRA methods to model dynamic risk of human activities as part of an overall probabilistic risk assessment (PRA). While we have adopted particular methods to build an initial model, the HUNTER framework is meant to be intrinsically flexible to new pieces that achieve particular modeling goals. In the present report, the HUNTER implementation has the following goals: • Integration with a high fidelity thermal-hydraulic model capable of modeling nuclear power plant behaviors and transients • Consideration of a PRA context • Incorporation of a solid psychological basis for operator performance • Demonstration of a functional dynamic model of a plant upset condition and appropriate operator response This report outlines these efforts and presents the case study of a station blackout scenario to demonstrate the various modules developed to date under the HUNTER research umbrella.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS1985

A theoretical basis for the analysis of redundant software subject to coincident errors

Fundamental to the development of redundant software techniques fault-tolerant software, is an understanding of the impact of multiple-joint occurrences of coincident errors. A theoretical basis for the study of redundant software is developed which provides a probabilistic framework for empirically evaluating the effectiveness of the general (N-Version) strategy when component versions are subject to coincident errors, and permits an analytical study of the effects of these errors. The basic assumptions of the model are: (1) independently designed software components are chosen in a random sample; and (2) in the user environment, the system is required to execute on a stationary input series. The intensity of coincident errors, has a central role in the model. This function describes the propensity to introduce design faults in such a way that software components fail together when executing in the user environment. The model is used to give conditions under which an N-Version system is a better strategy for reducing system failure probability than relying on a single version of software. A condition which limits the effectiveness of a fault-tolerant strategy is studied, and it is posted whether system failure probability varies monotonically with increasing N or whether an optimal choice of N exists.

Eckhardt, D. E., Jr.↗
NASA NTRS1992

Effect of fiber orientation on the fracture toughness of brittle matrix composites

The effective fracture toughness of brittle matrix materials can be increased through the addition of short, poorly bonded fibers which bridge the growing crack. The orientation distribution of the fibers is likely to be biased, and not in an ideal random or aligned state. A micromechanical model is formulated for the postcracking behavior using the force-displacement relation for an arbitrary fiber bridging a crack, the fiber orientation density function, and the fiber location density function. This model is then used to determine an effective traction law for the bridging fibers, as well as the steady state bridging toughness increment. In most cases, the results may be placed in the form of a product of the aligned fiber results times a modifying integrated orientation factor. The frictional shear stress on fiber pull-out is allowed to vary during pull-out, modeling the effects of matrix breakdown, fiber surface smoothing or wear debris accumulation. Results are presented for a variety of representative planar and three-dimensional fiber orientation states.

Jain, L. K.↗
DOE OSTI2011

Bound H Dibaryon in Flavor SU(3) Limit of Lattice QCD

The flavor-singlet H dibaryon, which has strangeness -2 and baryon number 2, is studied by the approach recently developed for the baryon-baryon interactions in lattice QCD. The flavor-singlet central potential is derived from the spatial and imaginary-time dependence of the Nambu-Bethe-Salpeter wave function measured in N{sub f}=3 full QCD simulations with the lattice size of L{approx_equal}2,3,4 fm. The potential is found to be insensitive to the volume, and it leads to a bound H dibaryon with the binding energy of 30-40 MeV for the pseudoscalar meson mass of 673-1015 MeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1977

Bispectral analysis of meter wavelength interplanetary scintillation

The bispectrum of interplanetary scintillation is investigated. Rice-squared and lognormal point-source intensity probability density functions are used to derive model bispectra as functionals of the intensity autocovariance. Simultaneous observations of the source CTA 21 at 270, 340, and 470 MHz are analyzed to produce scintillation indices, skewness parameters, and bispectra, which are compared with the models for the cases of weak, intermediate, and strong scattering. The results obtained for CTA 21 are shown to rule out lognormal statistics for interplanetary scintillation over the frequency range from 340 to 470 MHz. It is found that the observed bispectra correspond well with the predictions of the Rice-squared model for weak and intermediate scattering, but are systematically different from model bispectra computed by assuming a point source in the case of strong scattering.

Armstrong, J. W.↗
DOE OSTI2021

Coupling between Emissive Defects on Carbon Nanotubes: Modeling Insights

Covalent functionalization of single-walled carbon nanotubes (SWCNTs) with organic molecules results in red-shifted emissive states associated with sp 3 -defects in the tube lattice, which facilitate their improved optical functionality, including single-photon emission. The energy of the defect-based electronic excitations (excitons) depends on the molecular adducts, the configuration of the defect, and concentration of defects. In this work, we model the interactions between two sp 3 -defects placed at various distances in the (6,5) SWCNT using time-dependent density functional theory. Calculations reveal that these interactions conform to the effective model of J-aggregates for well-spaced defects (>2 nm), leading to a red-shifted and optically allowed (bright) lowest energy exciton. H-aggregate behavior is not observed for any defect orientations, which is beneficial for emission. The splitting between the lowest energy bright and optically forbidden (dark) excitons and the pristine excitonic band are controlled by the single-defect configurations and their axial separation. These findings enable a synthetic design strategy for SWCNTs with tunable near-infrared emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Transient Efficiency Flexibility and Reliability Optimization of Coal-Fired Power Plants: Model-Predictive Control Library Development (Report)

This document pertains to the reporting requirements of DOE contract FE-0031767. The document covers the development of a model predictive control (MPC) library for implementing MPC for a general dynamic system. The library is implemented in a standardized manner in Matlab/Simulink, where core functions on model prediction, linearization and formulation and solution of a quadratic programming (QP) optimization problem is done in the core library - independent of the specific application. The user can provide the application-specific dynamic model in continuous and discrete time, to rapidly implement and test the MPC performance in a desktop simulation. The MPC optimization objective and constraints are also easily configured via an Excel file to allow iterative refinement as needed. Finally, the MPC library enables a rapid deployment to a target environment through auto C-code generation and containerization. The MPC library works seamlessly with the model based estimation (MBE) library to obtain the overall output feedback control solution. In this program, the reduced order model (ROM) of a coal-fired power plant (CFPP) is used to implement and test the MPC solution.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

An SYK-inspired model with density–density interactions: Spectral & wave function statistics, Green’s function and phase diagram

The Sachdev–Ye–Kitaev (SYK) model is a rare example of a strongly-interacting system that is analytically tractable. Tractability arises because the model is largely structureless by design and therefore artificial: while the interaction is restricted to two-body terms, interaction matrix elements are “randomized” and therefore the corresponding interaction operator does not commute with the local density. Unlike conventional density–density-type interactions, the SYK-interaction is, in this sense, not integrable. We here investigate a variant of the (complex) SYK model, which restores this integrability. It features a randomized single-body term and a density–density-type interaction. We present numerical investigations suggesting that the model exhibits two integrable phases separated by several intermediate phases including a chaotic one. The chaotic phase carries several characteristic SYK-signatures including in the spectral statistics and the frequency scaling of the Green’s function and therefore should be adiabatically connected to the non-Fermi liquid phase of the original SYK model. Thus, our model Hamiltonian provides a bridge from the SYK-model towards microscopic realism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1980

A variational technique for smoothing flight-test and accident data

The problem of determining aircraft motions along a trajectory is solved using a variational algorithm that generates unmeasured states and forcing functions, and estimates instrument bias and scale-factor errors. The problem is formulated as a nonlinear fixed-interval smoothing problem, and is solved as a sequence of linear two-point boundary value problems, using a sweep method. The algorithm has been implemented for use in flight-test and accident analysis. Aircraft motions are assumed to be governed by a six-degree-of-freedom kinematic model; forcing functions consist of body accelerations and winds, and the measurement model includes aerodynamic and radar data. Examples of the determination of aircraft motions from typical flight-test and accident data are presented.

Bach, R. E., Jr.↗
NASA NTRS1982

A Variational Technique for Smoothing Flight-Test and Accident Data

The problem of determining aircraft motions along a trajectory is solved using a variational algorithm that generates unmeasured states and forcing functions, and estimates instrument bias and scale-factor errors. The problem is formulated as a nonlinear fixed-interval smoothing problem, and is solved as a sequence or linear two-point boundary value problems, using a sweep method. The algorithm has been implemented for use in flight-test and accident analysis. Aircraft motions are assumed to be governed by a six-degree-of-freedom kinematic model; forcing functions consist of body accelerations and winds, and the measurement model includes aerodynamic and radar data. Examples of the determination of aircraft motions from typical flight-test and accident data are presented.

Bach, Ralph E. , Jr.↗
DOE OSTI2012

Conformal consistency relations for single-field inflation

We generalize the single-field consistency relations to capture not only the leading term in the squeezed limit — going as 1/q{sup 3}, where q is the small wavevector — but also the subleading one, going as 1/q{sup 2}. This term, for an (n+1)-point function, is fixed in terms of the variation of the n-point function under a special conformal transformation; this parallels the fact that the 1/q{sup 3} term is related with the scale dependence of the n-point function. For the squeezed limit of the 3-point function, this conformal consistency relation implies that there are no terms going as 1/q{sup 2}. We verify that the squeezed limit of the 4-point function is related to the conformal variation of the 3-point function both in the case of canonical slow-roll inflation and in models with reduced speed of sound. In the second case the conformal consistency conditions capture, at the level of observables, the relation among operators induced by the non-linear realization of Lorentz invariance in the Lagrangian. These results mean that, in any single-field model, primordial correlation functions of ζ are endowed with an SO(4,1) symmetry, with dilations and special conformal transformations non-linearly realized by ζ. We also verify the conformal consistency relations for any n-point function in models with a modulation of the inflaton potential, where the scale dependence is not negligible. Finally, we generalize (some of) the consistency relations involving tensors and soft internal momenta.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Multimodal Bayesian registration of noisy functions using Hamiltonian Monte Carlo

Functional data registration is a necessary processing step for many applications. The observed data can be inherently noisy, often due to measurement error or natural process uncertainty; which most functional alignment methods cannot handle. A pair of functions can also have multiple optimal alignment solutions, which is not addressed in current literature. In this paper, a flexible Bayesian approach to functional alignment is presented, which appropriately accounts for noise in the data without any pre-smoothing required. Additionally, by running parallel MCMC chains, the method can account for multiple optimal alignments via the multi-modal posterior distribution of the warping functions. To most efficiently sample the warping functions, the approach relies on a modification of the standard Hamiltonian Monte Carlo to be well-defined on the infinite-dimensional Hilbert space. In this work, this flexible Bayesian alignment method is applied to both simulated data and real data sets to show its efficiency in handling noisy functions and successfully accounting for multiple optimal alignments in the posterior; characterizing the uncertainty surrounding the warping functions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Quasi-parton distribution functions: A study in the diquark spectator model

A set of quasi-parton distribution functions (quasi-PDFs) have been recently proposed by Ji. Defined as the matrix elements of equal-time spatial correlations, they can be computed on the lattice and should reduce to the standard PDFs when the proton momentum P z is very large. Since taking the P z → ∞ limit is not feasible in lattice simulations, it is essential to provide guidance for what values of P z the quasi-PDFs are good approximations of standard PDFs. Within the framework of the spectator diquark model, we evaluate both the up and down quarks' quasi-PDFs and standard PDFs for all leading-twist distributions (unpolarized distribution f 1 , helicity distribution g 1 , and transversity distribution h 1 ). We find that, for intermediate parton momentum fractions x, quasi-PDFs are good approximations to standard PDFs (within 20–30) when P z ≳ 1.5–2 GeV. On the other hand, for large x ~ 1 much larger P z > 4 GeV is necessary to obtain a satisfactory agreement between the two sets. We further test the Soffer positivity bound, and find that it does not hold in general for quasi-PDFs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Magnetic and structural investigations on La{sub 0.6}Sr{sub 0.4}MnO{sub 3} nanostructured manganite: Evidence of a ferrimagnetic shell

This paper presents the structural and magnetic properties of La{sub 0.6}Sr{sub 0.4}MnO{sub 3} nanoparticles with sizes from 21 to 106 nm, which have been prepared using the sol–gel method. The reduction of the nanoparticles' size tends to broaden the paramagnetic to ferromagnetic transition, as well as to promote magnetic hysteresis and a remarkable change on the magnetic saturation. In order to better understand the magnetic behavior of those nanoparticles, a simple model based on a ferromagnetic core and a ferrimagnetic shell was considered, where the magnetization was described in terms of the standard mean-field Brillouin function. This model matches the experimental data, leading to conclusion the nanoparticles with size <40nm are single magnetic domain. In addition, the output fitting parameters give information on the Landé factor of the core and shell. - Graphical abstract: Core–shell model: The core has a ferromagnetic character, while the shell is ferrimagnetic. Each one has two sub-lattices (Mn{sup 3+} and Mn{sup 4+}) that interact through a mean-field (see Eq. (6)). Interactions strength and signals are also represented in this figure. In this figure the arrows (or vectors) represent the magnetic moment of ions Mn{sup 3+} (s=2) and Mn{sup 4+} (s=3/2). βλ's describe the ferromagnetic interaction between Mn{sup 4+} ions into the core (βλ{sub co}) and into the shell (βλ{sub sh}), while αλ's represent ferromagnetic interaction between Mn{sup 3+} ions into the core (αλ{sub co}) and into the shell (αλ{sub sh}). The −λ{sub sh} and +λ{sub co}co are associated to the mean field parameter of interaction between Mn{sup 3+} and Mn{sup 4+} sub-lattices in the shell (ferrimagnetic, negative sign) and core (ferromagnetic, positive sign), respectively. - Highlights: • Evidences of ferromagnetic shell in La{sub 0.6}Sr{sub 0.4}MnO{sub 3} ferromagnetic nanoparticles. • Core(ferromagnetic)–shell(ferromagnetic) model for nanostructured manganite. • Sol–gel method was successfully used to obtain nanostructured manganite.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗