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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 433 records · Page 24

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DOE OSTI2022

GaAs Thermophotovoltaic Patterned Dielectric Back Contact Devices with Improved Sub-Bandgap Reflectance

We demonstrate GaAs thermophotovoltaic (TPV) devices with a patterned dielectric back contact (PDBC) architecture, featuring a dielectric spacer between the semiconductor and back metal contact over most of the back surface for high reflectance, and metal point contacts over a smaller area for electrical conduction. In the TPV application, high sub-bandgap reflectance is needed to reflect unused sub-bandgap photons to the thermal emitter to minimize energy losses in this portion of the thermal spectrum. We explore different PDBC fabrication processes with SU-8 and SiO2 dielectric spacer layers to maximize sub-bandgap reflectance while minimizing series resistance to increase TPV conversion efficiency. We successfully demonstrate GaAs SU-8 PDBC TPV devices with 2200 degrees C blackbody-weighted sub-bandgap reflectance of 94.9% and 96.5% with and without a front metal grid, respectively. This is 0.7% and 2.3% (absolute) higher than the mean sub-bandgap reflectance of 94.2% for GaAs baseline TPV devices with 100% Au back contact with front metal grid. Lower sub-bandgap reflectance in TPV devices with front grids indicates the front grid induces light scattering leading to additional parasitic absorption in the TPV device. We also show that for higher contact coverage fractions, the PDBC reflectance cannot in general be treated by a linear interpolation using simple 1D transfer matrix method modeling and should be treated instead as a diffraction grating by solving Maxwell's equations in 3D.

energy storage↗

DOE OSTI2014

Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy

We present the general theory and implementation of the Conductor-like Screening Model according to the recently developed ddCOSMO paradigm. The various quantities needed to apply ddCOSMO at different levels of theory, including quantum mechanical descriptions, are discussed in detail, with a particular focus on how to compute the integrals needed to evaluate the ddCOSMO solvation energy and its derivatives. The overall computational cost of a ddCOSMO computation is then analyzed and decomposed in the various steps: the different relative weights of such contributions are then discussed for both ddCOSMO and the fastest available alternative discretization to the COSMO equations. Finally, the scaling of the cost of the various steps with respect to the size of the solute is analyzed and discussed, showing how ddCOSMO opens significantly new possibilities when cheap or hybrid molecular mechanics/quantum mechanics methods are used to describe the solute.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Structural fluctuation of proteins induced by thermodynamic perturbation

A theory to describe structural fluctuations of protein induced by thermodynamic perturbations, pressure, temperature, and denaturant, is proposed. The theory is formulated based on the three methods in the statistical mechanics: the generalized Langevin theory, the linear response theory, and the three dimensional interaction site model (3D-RISM) theory. The theory clarifies how the change in thermodynamic conditions, or a macroscopic perturbation, induces the conformational fluctuation, which is a microscopic property. The theoretical results are applied, on the conceptual basis, to explain the experimental finding by Akasaka et al., concerning the NMR experiment which states that the conformational change induced by pressure corresponds to structural fluctuations occurring in the ambient condition. A method to evaluate the structural fluctuation induced by pressure is also suggested by means of the 3D-RISM and the site-site Kirkwood-Buff theories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2011

Z{sup '} physics with early LHC data

We discuss the prospects for setting limits on or discovering spin-1 Z{sup '} bosons using early LHC data at 7 TeV. Our results are based on the narrow width approximation in which the leptonic Drell-Yan Z{sup '} boson production cross section only depends on the Z{sup '} boson mass together with two parameters c{sub u} and c{sub d}. We carefully discuss the experimental cuts that should be applied and tabulate the theoretical next-to-next-to-leading order corrections which must be included. Using these results the approach then provides a safe, convenient, and unbiased way of comparing experiment to theoretical models which avoids any built-in model-dependent assumptions. We apply the method to three classes of perturbative Z{sup '} boson benchmark models: E{sub 6} models, left-right symmetric models, and sequential standard models. We generalize each class of model in terms of mixing angles which continuously parametrize linear combinations of pairs of generators and lead to distinctive orbits in the c{sub u}-c{sub d} plane. We also apply this method to the strongly coupled four-site benchmark model in which two Z{sup '} bosons are predicted. By comparing the experimental limits or discovery bands to the theoretical predictions on the c{sub u}-c{sub d} plane, we show that the LHC at 7 TeV with integrated luminosity of 500 pb{sup -1} will greatly improve on current Tevatron mass limits for the benchmark models. If a Z{sup '} is discovered our results show that measurement of the mass and cross section will provide a powerful discriminator between the benchmark models using this approach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1983

The effect of a normal shock on the aeroelastic stability of a panel

The effect of a standing shock wave on the static and dynamic aeroelastic stability of a flexible panel is investigated using a linear structural and aerodynamic theoretical model. It is found that the shock is generally stabilizing. The lowest critical dynamic pressures are associated with shock positions downstream from the panel, where the panel is uninfluenced by the shock.

Williams, M. H.↗

NASA NTRS1987

State-space formulation of multi-shaker modal analysis

As modal testing techniques have improved in recent years, the demands placed on the accuracy of modal test results have increased. This paper describes a new multi-input, multi-output modal parameter estimation algorithm suitable for the identification of reduced-order models of structures. The method described is a frequency-domain method based on excitation and response spectra. The principal features of the algorithm are: (1) applicability to general linear, time-invariant systems, (2) direct use of multiple input and multiple response data, (3) identification of reduced-order models with minimum user interaction through the use of two automatic model-reduction techniques, (4) identification of a consistent set of modal parameters through the use of numerically stable least-squares techniques, and (5) complete user documentation.

Craig, Roy R., Jr.↗

NASA NTRS1988

Averaging analysis of adaptive control algorithms

The method of averaging is used to analyze discrete-time indirect adaptive control. The analysis focuses on various prediction-error-driven identification algorithms coupled with a general linear control law. The plant is not required to be in the model set of the identifier, which accounts for systems with unmodeled plant dynamics. Exogenous input signals including known command signals and unknown disturbances are also included. Both gradient and Newton-based algorithms are considered.

Phillips, Stephen M.↗

NASA NTRS1991

Parallelized solvers for heat conduction formulations

Based on multilevel partitioning, this paper develops a structural parallelizable solution methodology that enables a significant reduction in computational effort and memory requirements for very large scale linear and nonlinear steady and transient thermal (heat conduction) models. Due to the generality of the formulation of the scheme, both finite element and finite difference simulations can be treated. Diverse model topologies can thus be handled, including both simply and multiply connected (branched/perforated) geometries. To verify the methodology, analytical and numerical benchmark trends are verified in both sequential and parallel computer environments.

Padovan, Joe↗

NASA NTRS1986

A simple nonlinear joint model

Hertzian contact theory is applied to a butt joint with specially mismatched bearing surfaces to devise a simple mathematical model of nonlinear axial force-displacement behavior in jointed members. Normalized tangent stiffness-force plots, for several values of a joint imperfection parameter, are presented for the sample case of solid structural members of circular section. The results illustrate the potential problem of high joint compliance at low axial-force levels, as well as the generally desirable stiffening and linearizing effects of preload. A nonlinear oscillator problem based on the static model is also formulated and solved to illustrate the effect of amplitude on natural frequency. As expected, natural frequency is low when amplitude is small. The results call attention to the important roles that tight tolerances and preload are expected to play in the design and fabrication of deployable and erectable truss-type space structures.

Fichter, W. B.↗

DOE OSTI2018

Data-Driver Interpretation of Ultradeep Azimuthal Propagation

We report the interpretation of geological features around the borehole stresses on the search of true earth model parameters. Different from the conventional logging-while-drilling (LWD) technologies, such as wireline induction and propagation resistivity tools, the azimuthal resistivity measurement acquires the ability of directional sensitivity. Within this decade, this type of tools has been greatly enhanced with over hundred feet depth-of-detection (DoD). To resolve the interpretation of geological features within 100 feet from the borehole, the multiple-layer structure must be considered. However, the traditional methods can never handle the highly nonlinear inverse problems especially facing on the complicated earth structure. Meanwhile, no justifiable uncertainty of inverse parameters can be provided. The statistical methods have been adopted to search for the global statistical distribution and uncertainties of earth model parameters. However, the most attempts are still stuck in non-uniqueness of the solutions since the structure of earth model has been predefined, where the number of layers is assumed, which introduces another ambiguity into the model interpretation. This paper develops a general trans-dimensional Bayesian methodology to solve non-linear inverse problem of earth layer resistivity and depth to the layer boundaries, from the interpretation of ultra-deep azimuthal resistivity measurements. The presented work is a data-driven approach to search out the multi-dimensional parameter spaces. Finally, the simulations tell that the algorithm can efficiently solve the earth model interpretation within a hundred feet from borehole, and examine the uncertainty of earth model parameters.

58 GEOSCIENCES↗

DOE OSTI2021

Random circuit block-encoded matrix and a proposal of quantum LINPACK benchmark

The LINPACK benchmark reports the performance of a computer for solving a system of linear equations with dense random matrices. Although this task was not designed with a real application directly in mind, the LINPACK benchmark has been used to define the list of TOP500 supercomputers since the debut of the list in 1993. We propose that a similar benchmark, called the quantum LINPACK benchmark, could be used to measure the whole machine performance of quantum computers. The success of the quantum LINPACK benchmark should be viewed as the minimal requirement for a quantum computer to perform a useful task of solving linear algebra problems, such as linear systems of equations. We propose an input model called the Random Circuit Block-Encoded Matrix (RACBEM), which is a proper generalization of a dense random matrix in the quantum setting. The RACBEM model is efficient to be implemented on a quantum computer and can be designed to optimally adapt to any given quantum architecture, with relying on a black-box quantum compiler. Besides solving linear systems, the RACBEM model can be used to perform a variety of linear algebra tasks relevant to many physical applications, such as computing spectral measures, time series generated by a Hamiltonian simulation, and thermal averages of the energy. We implement these linear algebra operations on IBM Q quantum devices as well as quantum virtual machines, and demonstrate their performance in solving scientific computing problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1991

Advances in modeling the pressure correlation terms in the second moment equations

In developing turbulence models, various model constraints were proposed in an attempt to make the model equations more general (or universal). The most recent of these are the realizability principle, the linearity principle, the rapid distortion theory, and the material indifference principle. Several issues are discussed concerning these principles and special attention is payed to the realizability principle. Realizability (defined as the requirement of non-negative energy and Schwarz' inequality between any fluctuating quantities) is the basic physical and mathematical principle that any modeled equation should obey. Hence, it is the most universal, important and also the minimal requirement for a model equation to prevent it from producing unphysical results. The principle of realizability is described in detail, the realizability conditions are derived for various turbulence models, and the model forms are proposed for the pressure correlation terms in the second moment equations. Detailed comparisons of various turbulence models with experiments and direct numerical simulations are presented. As a special case of turbulence, the two dimensional two-component turbulence modeling is also discussed.

Shih, Tsan-Hsing↗

NASA NTRS1992

Advances in modeling the pressure correlation terms in the second moment equations

Shih, Tsan-Hsing↗

DOE OSTI2013

Application of the OPTEX method for computing reflector parameters

We are investigating the OPTEX reflector model for obtaining few-group reflector parameters consistent with a reference power distribution in the core. In our study, the reference power distribution is obtained using a 142,872-region calculation defined over a 2D eighth-of-core pressurized water reactor and performed with the method of characteristics. The OPTEX method is based on generalized perturbation theory and uses an optimization algorithm known as parametric linear complementarity pivoting. The proposed model leads to few-group diffusion coefficients or P1-weighted macroscopic total cross sections that can be used to represent the reflector in full-core calculations. These few-group parameters can be spatially heterogeneous in order to correctly represent steel baffles present in modern pressurized water reactors. The optimal reflector parameters are compared to those obtained with a flux-volume weighting of the reflector cross sections recovered from the reference calculation. Important improvements in full-core power distribution are observed when the optimal parameters are used. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

Nuclear Data Adjustment for Nonlinear Applications in the OECD/NEA WPNCS SG14 Benchmark—A Bayesian Inverse UQ-Based Approach for Data Assimilation

The Organisation for Economic Co-operation and Development Working Party on Nuclear Criticality Safety has proposed a benchmark exercise to assess the performance of current nuclear data adjustment techniques applied to nonlinear applications and experiments with low correlation to applications. This work introduces Bayesian inverse uncertainty quantification (IUQ) employing scientific machine learning surrogate models as a method for nuclear data adjustments in this benchmark, and compares IUQ to the more traditional methods of generalized linear least squares (GLLS) and Monte Carlo Bayes (MOCABA). Posterior predictions from IUQ showed agreement with GLLS and MOCABA for linear applications. Here, when comparing GLLS, MOCABA, and IUQ posterior predictions to computed model responses using adjusted parameters, we observe that the GLLS predictions failed to replicate the computed response distributions for nonlinear applications, while MOCABA showed near agreement, and IUQ used the computed model responses directly. We also discuss observations on why experiments with low correlation to applications can be informative to nuclear data adjustments and identify some properties useful in selecting experiments for inclusion in nuclear data adjustment. Performance in this benchmark indicates potential for Bayesian IUQ in nuclear data adjustments.

Bayesian calibration↗

NASA NTRS1989

Parallel eigenanalysis of finite element models in a completely connected architecture

A parallel algorithm is presented for the solution of the generalized eigenproblem in linear elastic finite element analysis, (K)(phi) = (M)(phi)(omega), where (K) and (M) are of order N, and (omega) is order of q. The concurrent solution of the eigenproblem is based on the multifrontal/modified subspace method and is achieved in a completely connected parallel architecture in which each processor is allowed to communicate with all other processors. The algorithm was successfully implemented on a tightly coupled multiple-instruction multiple-data parallel processing machine, Cray X-MP. A finite element model is divided into m domains each of which is assumed to process n elements. Each domain is then assigned to a processor or to a logical processor (task) if the number of domains exceeds the number of physical processors. The macrotasking library routines are used in mapping each domain to a user task. Computational speed-up and efficiency are used to determine the effectiveness of the algorithm. The effect of the number of domains, the number of degrees-of-freedom located along the global fronts and the dimension of the subspace on the performance of the algorithm are investigated. A parallel finite element dynamic analysis program, p-feda, is documented and the performance of its subroutines in parallel environment is analyzed.

Akl, F. A.↗

DOE OSTI2025

Using system identification in modeling the yaw response of tail fins for small wind turbines with bearing friction

Here, we describe three main developments of our previous study of the nonlinear yaw dynamics of the tail fins for small wind turbines [Khedr et al., J. Renewable Sustainable Energy 16, 053305 (2024)]. First, the model constants derived from archived computational and experimental studies are adjusted by employing system identification (SI) to maximize the model's agreement with wind tunnel tests. This adjustment was done for high wind speeds, where yaw bearing friction can be ignored. When starting a turbine at low wind speed, however, friction can become important. Our second development is to implement a model for the frictional resistive torque and use SI to maximize its accuracy. These developments used wind tunnel experiments on generic delta, elliptical, and rectangular planforms that were described by Khedr et al. [J. Renewable Sustainable Energy 16, 053305 (2024)]. Since the aerodynamic and friction models employ a large number of constants, we describe ways to constrain the values using linearized solutions of the response equations for small and large yaw angles. Third, we test the generality of the aerodynamic and friction modeling using the complex planform from a commercial small turbine, for which limited theoretical and computational guidance is available in selecting the model constants. The model implemented with SI is shown to provide an accurate description of the yaw response of the complex planform. Guidelines are given for the use of wind tunnel tests to determine the model constants for tail fins of any planform.

17 WIND ENERGY↗

DOE OSTI2024

FARM User Guidance and Instructions

The FARM (Feasible Actuator Range Modifier) module is a component of the RAVEN-based FORCE framework for the analysis of Integrated Energy Systems (IES). FARM aids HERON in the solution of the power dispatch problem by evaluating feasible set-point signals to be issued to the control systems of the different IES unit components. Set-points need to satisfy limits on both production variables (i.e., the variables to be optimized such as the electrical power, etc.) and process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.). To enforce all these limits, a two-stage approach is adopted. First, the power dispatcher algorithm in HERON module estimates set-points that meet the constraints on the production variables, e.g., power levels and power ramp rate limits. These constraints are called explicit constraints. Then, if necessary, FARM adjusts these set-points to ensure the respect of the limits on the process variables of interest, given the knowledge of the system dynamics acquired through machine learning algorithms. These constraints are called implicit constraints. From this standpoint, FARM constitutes a bridge between the HERON power dispatcher that adopts a simplified description of the IES unit (low-resolution physics) and the HYBRID high-fidelity models (high-resolution physics). In this report, the general workflow and the software requirements of FARM module are summarized, and the detailed instructions for installing FARM software, running built-in example cases, deriving Linear Parameter-Varying (LPV) state-space models, and using FARM for user-defined power dispatch problems are provided.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗