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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

On the anisotropic advection-diffusion equation with time dependent coefficients

The advection-diffusion equation with time dependent velocity and anisotropic time dependent diffusion tensor is examined in regard to its non-classical transport features and to the use of a non-orthogonal coordinate system. Although this equation appears in diverse physical problems, particularly in particle transport in stochastic velocity fields and in underground porous media, a detailed analysis of its solutions is lacking. In order to study the effects of the time-dependent coefficients and the anisotropic diffusion on transport, we solve analytically the equation for an initial Dirac delta pulse. Here, we discuss the solutions to three cases: one based on power-law correlation functions where the pulse diffuses faster than the classical rate ~t, a second case specically designed to display slower rate of diffusion than the classical one, and a third case to describe hydrodynamic dispersion in porous media

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

SO(3)-invariance of informed-graph-based deep neural network for anisotropic elastoplastic materials

This work examines the frame-invariance (and the lack thereof) exhibited in simulated anisotropic elasto-plastic responses generated from supervised machine learning of classical multi-layer and informed-graph-based neural networks, and proposes different remedies to fix this drawback. The inherent hierarchical relations among physical quantities and state variables in an elasto-plasticity model are first represented as informed, directed graphs, where three variations of the graph are tested. While feed-forward neural networks are used to train path-independent constitutive relations (e.g., elasticity), recurrent neural networks are used to replicate responses that depends on the deformation history, i.e. or path dependent. In dealing with the objectivity deficiency, we use the spectral form to represent tensors and, subsequently, three metrics, the Euclidean distance between the Euler Angles, the distance from the identity matrix, and geodesic on the unit sphere in Lie algebra, can be employed to constitute objective functions for the supervised machine learning. In this, the aim is to minimize the measured distance between the true and the predicted 3D rotation entities. Following this, we conduct numerical experiments on how these metrics, which are theoretically equivalent, may lead to differences in the efficiency of the supervised machine learning as well as the accuracy and robustness of the resultant models. Neural network models trained with tensors represented in component form for a given Cartesian coordinate system are used as a benchmark. Our numerical tests show that, even given the same amount of information and data, the quality of the anisotropic elasto-plasticity model is highly sensitive to the way tensors are represented and measured. The results reveal that using a loss function based on geodesic on the unit sphere in Lie algebra together with an informed, directed graph yield significantly more accurate rotation prediction than the other tested approaches.

42 ENGINEERING↗
DOE OSTI2024

Understanding the Phase of Responsivity and Noise Sources in Frequency-Domain Multiplexed Readout of Transition Edge Sensor Bolometers

Abstract Cosmic microwave background (CMB) experiments have deployed focal planes with $$\mathcal {O}(10^{4})$$ O ( 10 4 ) transition edge sensor (TES) bolometers cooled to sub-Kelvin temperatures by multiplexing the readout of many TES channels onto a single pair of wires. Digital Frequency-domain Multiplexing (DfMux) is a multiplexing technique used in many CMB polarization experiments, such as the Simons Array, SPT-3 G, and EBEX. The DfMux system studied here uses LC filters with resonant frequencies ranging from 1.5 to 4.5 MHz connected to an array of TESs. Each detector has an amplitude-modulated carrier tone at the resonant frequency of its accompanying LC resonator. The signal is recovered via quadrature demodulation where the in-phase (I) component of the demodulated current is in phase with the complex admittance of the circuit and the quadrature (Q) component is orthogonal to I. Observed excess current noise in the Q component is consistent with fluctuations in the resonant frequency. This noise has been shown to be non-orthogonal to the phase of the detector’s responsivity. We present a detailed analysis of the phase of responsivity of the TES and noise sources in our DfMux readout system. Further, we investigate how modifications to the TES operating resistance and bias frequency can affect the phase of noise relative to the phase of the detector responsivity, using data from Simons Array to evaluate our predictions. We find that both the phase of responsivity and phase of noise are functions of the two tuning parameters, which can be purposefully selected to maximize signal-to-noise (SNR) ratio.

47 OTHER INSTRUMENTATION↗
DOE OSTI2012

Linear Collider Test Facility: Twiss Parameter Analysis at the IP/Post-IP Location of the ATF2 Beam Line

At the first stage of the ATF2 beam tuning, vertical beam size is usually bigger than 3 {micro}m at the IP. Beam waist measurements using wire scanners and a laser wire are usually performed to check the initial matching of the beam through to the IP. These measurements are described in this paper for the optics currently used ({beta}{sub x} = 4cm and {beta}{sub y} = 1mm). Software implemented in the control room to automate these measurements with integrated analysis is also described. Measurements showed that {beta} functions and emittances were within errors of measurements when no rematching and coupling corrections were done. However, it was observed that the waist in the horizontal (X) and vertical (Y) plane was abnormally shifted and simulations were performed to try to understand these shifts. They also showed that multiknobs are needed in the current optics to correct simultaneously {alpha}{sub x}, {alpha}{sub y} and the horizontal dispersion (D{sub x}). Such multiknobs were found and their linearity and orthogonality were successfully checked using MAD optics code. The software for these multiknobs was implemented in the control room and waist scan measurements using the {alpha}{sub y} knob were successfully performed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Numerical Methodology for Optimization of Compression-Ignited Engines Considering Combustion Noise Control

It is challenging to develop highly efficient and clean engines while meeting user expectations in terms of performance, comfort, and drivability. One of the critical aspects in this regard is combustion noise control. Combustion noise accounts for about 40 percent of the overall engine noise in typical turbocharged diesel engines. The experimental investigation of noise generation is difficult due to its inherent complexity and measurement limitations. Therefore, it is important to develop efficient numerical strategies in order to gain a better understanding of the combustion noise mechanisms. In this work, a novel methodology was developed, combining computational fluid dynamics (CFD) modeling and genetic algorithm (GA) technique to optimize the combustion system hardware design of a high-speed direct injection (HSDI) diesel engine, with respect to various emissions and performance targets including combustion noise. The CFD model was specifically set up to reproduce the unsteady pressure field inside the combustion chamber, thereby allowing an accurate prediction of the acoustic response of the combustion phenomena. The model was validated by simulating several steady operating conditions and comparing the numerical results against experimental data, in both temporal and frequency domains. Thereafter, a GA optimization was performed with the goal of minimizing indicated specific fuel consumption (ISFC) and combustion noise, while restricting pollutant (soot and NOx) emissions to their respective baseline values. Eight design variables were selected pertaining to piston bowl geometry, nozzle inclusion angle, number of injector nozzle holes, and in-cylinder swirl. An objective merit function (MF) based on the emissions, ISFC, and combustion noise was constructed to quantify the strength of the engine designs and was determined using the CFD model as the function evaluator. The in-cylinder noise level was characterized by the total resonance energy of local pressure oscillations. The optimum engine configuration thus obtained showed a significant improvement in terms of efficiency and combustion noise compared to the baseline system, along with both soot and NOx emissions within their respective constraints. This optimum configuration included a deeper and tighter bowl geometry with higher swirl and larger number of nozzle holes. Subsequently, a more detailed acoustics analysis based on proper orthogonal decomposition (POD) technique was carried out to further explore the combustion noise benefits achieved by the GA optimum. In conclusion, this computational study is a first of its kind (to the best of the authors’ knowledge), which demonstrates a comprehensive framework to incorporate combustion noise into a numerical optimization strategy for engine design.

42 ENGINEERING↗
DOE OSTI2017

Atomic and electronic structure of the CdTe(111)B–(2√3 × 4) orthogonal surface

The atomic and electronic structure of four variants of Te-terminated CdTe(111)B–(2√3 × 4) orthogonal polar surface (ideal, relaxed, reconstructed, and reconstructed with subsequent relaxation) are calculated ab initio for the first time. The surface is modeled by a film composed of 12 atomic layers with a vacuum gap of ~16 Å in the layered superlattice approximation. To close Cd dangling bonds on the opposite side of the film, 24 fictitious hydrogen atoms with a charge of 1.5 electrons each are added. Ab initio calculations are performed using the Quantum Espresso program based on density functional theory. It is demonstrated that relaxation leads to splitting of the four upper layers. The band energy structures and total and layer-by-layer densities of electronic states for the four surface variants are calculated and analyzed.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Error induced by coordinate systems

It is pointed out that the choice of a curvilinear coordinate system can have a substantial effect on the error in the numerical solution of a partial differential equation. The truncation error is dependent not only on the higher order derivatives of the solution and the local grid spacing, but also on the rate-of-change of the grid spacing and on the departure of the grid from orthogonality. In connection with the present investigation, an analysis is conducted of the local truncation error in the approximation of first and second order derivatives on a curvilinear grid. Attention is given to a number of examples which illustrate the two fundamental sources of truncation error in the numerical solution of partial differential equations on curvilinear coordinate systems. The first is the grid spacing and changes in grid spacing which is measured by the first and second order derivatives of the functions defining the coordinate system. The second source is the higher order derivatives of the solution itself.

Mastin, C. W.↗
NASA NTRS2000

A Posteriori Error Estimation for Finite Volume and Finite Element Approximations Using Broken Space Approximation

We consider a posteriori error estimates for finite volume and finite element methods on arbitrary meshes subject to prescribed error functionals. Error estimates of this type are useful in a number of computational settings: (1) quantitative prediction of the numerical solution error, (2) adaptive meshing, and (3) load balancing of work on parallel computing architectures. Our analysis recasts the class of Godunov finite volumes schemes as a particular form of discontinuous Galerkin method utilizing broken space approximation obtained via reconstruction of cell-averaged data. In this general framework, weighted residual error bounds are readily obtained using duality arguments and Galerkin orthogonality. Additional consideration is given to issues such as nonlinearity, efficiency, and the relationship to other existing methods. Numerical examples are given throughout the talk to demonstrate the sharpness of the estimates and efficiency of the techniques. Additional information is contained in the original.

Barth, Timothy J.↗
DOE OSTI2023

Next-generation large-scale binary protein interaction network for Drosophila melanogaster

Generating reference maps of interactome networks illuminates genetic studies by providing a protein-centric approach to finding new components of existing pathways, complexes, and processes. We apply state-of-the-art methods to identify binary protein-protein interactions (PPIs) for Drosophila melanogaster. Four all-by-all yeast two-hybrid (Y2H) screens of > 10,000 Drosophila proteins result in the ‘FlyBi’ dataset of 8723 PPIs among 2939 proteins. Testing subsets of data from FlyBi and previous PPI studies using an orthogonal assay allows for normalization of data quality; subsequent integration of FlyBi and previous data results in an expanded binary Drosophila reference interaction network, DroRI, comprising 17,232 interactions among 6511 proteins. We use FlyBi data to generate an autophagy network, then validate in vivo using autophagy-related assays. The deformed wings (dwg) gene encodes a protein that is both a regulator and a target of autophagy. Altogether, these resources provide a foundation for building new hypotheses regarding protein networks and function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

TH-E-17A-08: Estimation of Image Quality of 4-Dimensional Computed Tomography (4DCT) Via Fourier Analysis of Corresponding 1D Breathing Surrogate

Purpose: Motion artifacts are common in patient 4DCT, leading to an illdefined tumor volume with variation up to 110% or setting up a poor foundation with low imaging fidelity for tumor motion study. We developed a method to estimate 4DCT image quality by establishing a correlation between the severity of motion artifacts in 4DCT images and the periodicity of corresponding 1D respiratory wave-function (1DRW) surrogate used for 4DCT reconstruction. Methods: Fast Fourier Transformation (FFT) was applied to analyze 1DRW periodicity, defined as the sum of the 5 largest Fourier coefficients, ranging in 0–1. Distortional motion artifacts of cine-scan 4DCT at the junctions of adjacent couchposition scans around the diaphragm were identified in 3 categories: incomplete, overlapping and duplicate. To quantify these artifacts, the discontinuity of the diaphragm at the junctions was measured in distance and averaged along 6 directions in 3 orthogonal views. Mean and sum artifacts per junction (APJ) across the entire diaphragm were calculated in each breathing phase. To make the APJ inter-patient comparable, patientspecific motion was removed from APJ by dividing patient-specific diaphragmatic velocity (displacement divided by the mean period, from FFT analysis of the 1DRW) and the normalized APJ was defined as motion artifact severity (MAS). Twenty-five patients with free-breathing 10-phase 4DCT and corresponding 1DRW surrogate datasets were studied. Results: A mild correlation of 0.56 was found between 1DRW periodicity and 4DCT artifact severity. Higher MAS tends to appear around mid inhalation and mid exhalation and the lowest MAS tends to be around full exhalation. The breathing periodicity of >0.8 possesses minimal motion artifacts. Conclusion: The 1D-4D correlation provides a fast means to estimate 4DCT image quality. Using 1DRW signal, we can retrospectively screen out high-quality 4DCT images for clinical research (periodicity>0.8) and prospectively identify poor breathers as candidates of breath coaching prior to 4DCT scan. This research is in part supported by NIH (U54CA137788/132378). MC would like to thank MSKCC summer medical student research program supported by National Cancer Institute and hosted by Department of Medical Physics at MSKCC.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1971

A stellar tracking reference system

A stellar attitude reference system concept for satellites was studied which promises to permit continuous precision pointing of payloads with accuracies of 0.001 degree without the use of gyroscopes. It is accomplished with the use of a single, clustered star tracker assembly mounted on a non-orthogonal, two gimbal mechanism, driven so as to unwind satellite orbital and orbit precession rates. A set of eight stars was found which assures the presence of an adequate inertial reference on a continuous basis in an arbitrary orbit. Acquisition and operational considerations were investigated and inherent reference redundancy/reliability was established. Preliminary designs for the gimbal mechanism, its servo drive, and the star tracker cluster with its associated signal processing were developed for a baseline sun-synchronous, noon-midnight orbit. The functions required of the onboard computer were determined and the equations to be solved were found. In addition detailed error analyses were carried out, based on structural, thermal and other operational considerations.

Klestadt, B.↗
NASA NTRS1943

On a new method for calculating the potential flow past a body of revolution

A new method is presented for obtaining the velocity potential of the flow about a body of revolution moving uniformly in the direction of its axis of symmetry in a fluid otherwise at rest. This method is based essentially on the fact that the form of the differential equation for the velocity potential is invariant with regard to conformal transformation of the meridian plane. By means of the conformal transformation of the meridian profile into a circle a system of orthogonal curvilinear coordinates is obtained, the main feature of which is that one of the coordinate lines is the meridian profile itself. The use of this type of coordinate system yields a simple expression of the boundary condition at the surface of the solid and leads to a rational process of iteration for the solution of the differential equation for the velocity potential. It is shown that the velocity potential for an arbitrary body of revolution may be expressed in terms of universal functions which, although not normal, are obtainable by means of simple quadratures. The general results are applied to a body of revolution obtained by revolving a symmetrical Joukowski profile about its axis of symmetry. A numerical example further serves to illustrate the theory.

Kaplan, Carl↗
DOE OSTI2023

Development of a colinear Second-Harmonic Orthogonal Polarization (SHOP) interferometer for electron areal density measurements in Magnetically Insulated Transmission Lines (MITLs)

Experimental measurements of low density plasmas forming in Magnetically Insulated Transmission Line (MITL) regions are desired to improve our understanding of current loss and power flow. Therefore, a new optical interferometer diagnostic was commissioned via this LDRD project. To measure the expected 10 13 - 10 17 cm -3 electron densities inside the 0.5 - 6 mm Anode-Cathode (A-K) gaps, a colinear SHOP interferometer diagnostic was constructed. The diagnostic was initially fielded on the University of New Mexico (UNM) Helicon-Cathode (HelCat) plasma device which provided a highly repeatable and well understood plasma source for which the colinear SHOP interferometer’s functionality could be verified and measured. Utilizing the highly repeatable plasma source and shot averaging, the interferometer was able to achieve an areal density sensitivity of 1×10 14 cm -2 . This work at UNM lead to a Review of Scientific Instruments (RSI) publication [20], DOI:10.1063/5.0101687. After the diagnostic’s capability was proven at UNM, the colinear SHOP interferometer was commissioned for use on the Sandia National Laboratories (SNL) Mykonos accelerator. Here, it provided the first temporal areal density measurements of plasma formation in a parallel plate MITL. The diagnostic was able to achieve a single shot (no multi-shot averaging like at UNM) areal density sensitivity of 1×10 15 cm -2 along a ~ 2mm probing path length, which provided adequate capability to conduct fundamental physics research of MITL plasma formation. CHICAGO and ALEGRA simulations support the diagnostics experimental findings. More experimental and computational work will continue, likely leading to another publication(s). The smaller scale Mykonos accelerator work has also provided justification that the colinear SHOP interferometer is a capable diagnostic for measuring plasma areal densities in the inner MITL and convolute regions of larger TW-class accelerators like SNL’s Z machine.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Regional Moment Tensor Inversion Using Rotational Observations

There are benefits from the addition of rotational motions to translational displacements for moment tensor (MT) inversions. The rotational radiation pattern is orthogonal to the shear radiation pattern, thus incorporating rotations is equivalent to gaining another observation point on the focal sphere. We demonstrated this by simulating curl and displacement wavefields for a regional distance station. Thus, one 6-C station (3-Component translational + 3-Component rotational) gathers the same information on radiation pattern as two 3-C stations at 90° azimuth from one another along the focal plane axis, which is sometimes difficult to obtain when restricted to surface sensors. We added rotational Green's functions to a regional MT inversion scheme (long-period, time-domain, and linear inversion) by computing spatial gradients from f-κ reflectivity synthetics. For rotational data, we used Array Derived Rotations (ADR) from Piñon Flats Observatory Array and Golay array deployed during IRIS Community Wavefield Demonstration Experiment. The hope is to ultimately use compact and field deployable broadband rotational seismometers instead of ADRs. Rotational motions were predicted from well-constrained deviatoric MT solutions of nine earthquakes recorded by the arrays and other seismic networks. Additionally, we formed three station sparse datasets with (3-C and 6-C) and without rotational ground motions (3-C only) for eight earthquakes testing the benefits of including rotational waveforms in MT inversions when they are equally weighted with translational waveforms. Adding rotational motions improved the double-couple components and reduced compensated-linear-vector-dipole and isotropic components in full-MT solutions using sparse datasets with poor coverage.

58 GEOSCIENCES↗
DOE OSTI2024

A contactless in situ EFISH method for measuring electrostatic potential profile of semiconductor/electrolyte junctions

In photoelectrochemical cells, promising devices for directly converting solar energy into storable chemical fuels, the spatial variation of the electrostatic potential across the semiconductor–electrolyte junction is the key parameter that determines the cell performance. In principle, electric field induced second harmonic generation (EFISH) provides a contactless in situ spectroscopic tool to measure the spatial variation of electrostatic potential. However, the total second harmonic generation (SHG) signal contains the contributions of the EFISH signals of semiconductor space charge layer and the electric double layer, in addition to the SHG signal of the electrode surface. The interference of these complex quantities hinders their analysis. In this work, to understand and deconvolute their contributions to the total SHG signals, bias-dependent SHG measurements are performed on the rutile TiO2(100)–electrolyte junction as a function of light polarization and crystal azimuthal angle (angle of the incident plane relative to the crystal [001] axis). A quadratic response between SHG intensity and the applied potential is observed in both the accumulation and depletion regions of TiO2. The relative phase difference and amplitude ratio are extracted at selected azimuthal angles and light polarizations. At 0° azimuthal angle and s-in–p-out polarization, the SHG intensity minimum has the best match with the TiO2 flatband potential due to the orthogonal relative phase difference between bias-dependent and bias-independent SHG terms. We further measure the pH-dependent flatband potential and probe the photovoltage under open circuit conditions using the EFISH technique, demonstrating the capability of this contactless method for measuring electrostatic potential at semiconductor–electrolyte junctions.

Chemistry↗
DOE OSTI2013

Rapid metabolic pathway assembly and modification using serine integrase site-specific recombination

Synthetic biology requires effective methods to assemble DNA parts into devices and to modify these devices once made. Here we demonstrate a convenient rapid procedure for DNA fragment assembly using site-specific recombination by ΦC31 integrase. Using six orthogonal attP/attB recombination site pairs with different overlap sequences, we can assemble up to five DNA fragments in a defined order and insert them into a plasmid vector in a single recombination reaction. ΦC31 integrase-mediated assembly is highly efficient, allowing production of large libraries suitable for combinatorial gene assembly strategies. The resultant assemblies contain arrays of DNA cassettes separated by recombination sites, which can be used to manipulate the assembly by further recombination. We illustrate the utility of these procedures to (i) assemble functional metabolic pathways containing three, four or five genes; (ii) optimize productivity of two model metabolic pathways by combinatorial assembly with randomization of gene order or ribosome binding site strength; and (iii) modify an assembled metabolic pathway by gene replacement or addition.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Nuclear Data Uncertainty Quantification for Adjoint-Weighted Quantities via XGPT in Monte Carlo Codes

The Total Monte Carlo method (TMC) is an innovative approach to nuclear data uncertainty propagation. In TMC, a large number of independent ENDF files are randomly generated starting from nuclear models parameters and their uncertainties. These files are then processed with NJOY or similar codes to produce a set of formatted continuous-energy cross sections (i.e., ACE files), and independent Monte Carlo neutron transport simulations are run with these different ACE files as input. Finally the distributions of the considered response functions are obtained directly from the results of the Monte Carlo runs. Despite several improvements of the TMC method, this approach is often considered an inefficient way of propagating nuclear data uncertainties, as it requires several computationally expensive Monte Carlo runs. Covariance-based methods present important advantages for several applications, especially when different sources of uncertainties are to be investigated. For this reason, sensitivity analysis and uncertainty quantification capabilities are being implemented in several Monte Carlo neutron transport codes. On the other hand, the fact that no artificial multi-group covariance matrices are required and that higher moments of the responses distributions can be easily obtained, are definite advantages of the TMC method. In an effort to overcome the limitations of both approaches, a new method, called eXtended Generalized Perturbation Theory (XGPT) is under development. When performing nuclear data uncertainty propagation, such XGPT approach does not require generating discretized (i.e., multigroup) covariance matrices, and allows to estimate higher moments of the response probability distributions, via linear perturbation theory. One of the promising applications of the XGPT method involves its adoption in conjunction with the Proper Orthogonal Decomposition (POD) of nuclear data, to build a Reduced Order Model (ROM) for the approximation of thousands of independent TMC results in a single criticality source simulation. In the present work, this approach is employed for the first time to evaluate the impact of uncertainty in nuclear data on adjoint-weighted quantities. The method has been implemented in an extended version of the Serpent-2.1.24 Monte Carlo code and is demonstrated on two fast spectrum benchmarks, focusing on {sup 208}Pb nuclear data. A new method for propagating nuclear data uncertainties in criticality source Monte Carlo simulations has been developed. This eXtended Generalized Perturbation Theory (XGPT) approach allows to accurately reproduce reference Total Monte Carlo (TMC) uncertainty estimates in a single criticality source simulation. The present work aims to demonstrate that the proposed method can quantify nuclear data uncertainty based on adjoint-weighted quantities. The XGPT approach was applied to evaluate the impact of {sup 208}Pb nuclear data uncertainties on the effective prompt neutron lifetime (l{sub eff}) in two fast spectrum systems. The obtained XGPT results show a good agreement with the reference TMC results, obtained from independent Monte Carlo runs with {sup 208}Pb nuclear data from random TENDL-2013 evaluations. The XGPT method, implemented in a extended version of the Serpent Monte Carlo code and adopted along with the Proper Orthogonal Decomposition (POD) of the nuclear data, is able to provide an accurate reduced order model to approximate thousands TMC results within a single run, ensuring a large saving in computational requirements. The effect of {sup 208}Pb nuclear data uncertainties appears to be rather large. This is consistent with previous studies that adopted the same input random evaluations data from TENDL. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗