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At least 127 records · Page 7

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Bayesian estimations of orientation distribution functions from small-angle scattering enable direct prediction of mechanical stress in anisotropic materials

Properties of soft materials are influenced by their anisotropic structuring under nonequilibrium fields. Although anisotropic structure-property relationships have been extensively explored theoretically, comparison to experiments requires determination of the microstructural orientation probability distribution function (OPDF) of microstructural elements. Small angle scattering (SAS) measurements encode information about the OPDF, but tools to navigate this connection are incomplete. Here, we develop and validate an explicit framework to link arbitrary OPDFs to SAS measurements. Specifically, we propose, validate, and apply a method, maximum a posteriori scattering inference (MAPSI), whereby the OPDF may be obtained from SAS measurements using a Bayesian estimation method. Using this method, we obtain estimates of the full 3D OPDF for two model semidilute fd-virus (rodlike) dispersions at concentrations that are approximately equal to and twice the overlap concentration. From the OPDF, we calculate its second and fourth moments and compare these to predictions for a dilute suspension of rigid rods and to a recent theory for semidilute suspensions. Finally, we use both the theoretical and measured moments to calculate the stress, both for dilute and semidilute suspensions. These predictions are not only compared to each other, but also to measured values of the shear stress, and point to new insights into the behavior of suspensions of highly elongated particles in the transition between dilute and semidilute behavior. We also use this new framework to provide perspective on the connection between scalar parameterizations of scattering and the OPDF that have frequently been used in the past. Here, the new tools developed in this work provide an unprecedented path toward experimental validation of dynamical theories of rodlike colloids and polymers, and for measurement of nonequilibrium structures and stresses of other complex fluids and soft materials with SAS.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Robust error calibration for serial crystallography

Serial crystallography is an important technique with unique abilities to resolve enzymatic transition states, minimize radiation damage to sensitive metalloenzymes and perform de novo structure determination from micrometre-sized crystals. This technique requires the merging of data from thousands of crystals, making manual identification of errant crystals unfeasible. cctbx.xfel.merge uses filtering to remove problematic data. However, this process is imperfect, and data reduction must be robust to outliers. We add robustness to cctbx.xfel.merge at the step of uncertainty determination for reflection intensities. This step is a critical point for robustness because it is the first step where the data sets are considered as a whole, as opposed to individual lattices. Robustness is conferred by reformulating the error-calibration procedure to have fewer and less stringent statistical assumptions and incorporating the ability to down-weight low-quality lattices. We then apply this method to five macromolecular XFEL data sets and observe the improvements to each. The appropriateness of the intensity uncertainties is demonstrated through internal consistency. This is performed through theoretical CC 1/2 and I /σ relationships and by weighted second moments, which use Wilson's prior to connect intensity uncertainties with their expected distribution. This work presents new mathematical tools to analyze intensity statistics and demonstrates their effectiveness through the often underappreciated process of uncertainty analysis.

Mittan-Moreau, David W.↗

NASA NTRS1993

Probabilistic nonlinear finite element analysis of composite structures

A probabilistic finite element analysis procedure for laminated composite shells is developed. A total Lagrangian finite element formulation, employing a degenerated three-dimensional laminated composite shell element with the full Green-Lagrange strains and first-order shear deformable kinematics, is used. The first-order second-moment technique for probabilistic finite element analysis of random fields is employed, and results are presented in the form of mean and variance of the structural response. Reliability calculations are made by using the first-order reliability method combined with sensitivity derivatives from the finite element analysis. Both ply-level and micromechanics-level random variables are incorporated, the latter by means of the Aboudi micromechanics model. Two sample problems are solved to verify the accuracy of the procedures developed and to quantify the variability of certain material type/structure combinations. In general, the procedure is quite effective in determining the response statistics and reliability for linear and geometric nonlinear behavior of laminated composite shells.

Engelstad, S. P.↗

DOE OSTI2023

Imaging systems and related methods including radar imaging with moving arrays or moving targets

Imaging systems, including radio frequency, microwave and millimeter-wave arrangements, and related methods are described. According to one aspect, an imaging system includes an antenna array, a position capture system configured to generate position information indicative of locations of one of the antenna array and the target at the first and second moments in time, and wherein the one of the antenna array and the target move between the first and second moments in time, a transceiver configured to control the antenna array to emit electromagnetic energy towards the target and to generate an output that is indicative of the received electromagnetic energy, a data acquisition system configured to generate radar data, processing circuitry configured to process the position information and the radar data to generate image data regarding the target, and an interface configured to use the image data to generate visual images regarding the target.

Sheen, David M.↗

DOE OSTI2024

Imaging systems and related methods including radar imaging with moving arrays or moving targets

Sheen, David M.↗

DOE OSTI2020

Spectral Mesh-Free Quadrature for Planar Regions Bounded by Rational Parametric Curves

This article presents spectral, mesh-free, Green’s theorem-based numerical quadrature schemes for integrating functions over planar regions bounded by rational parametric curves. Our algorithm proceeds in two steps: (1) We first find intermediate quadrature rules for line integrals along the region’s boundary curves corresponding to Green’s theorem. (2) We then use a high-order quadrature rule to compute the numerical antiderivative of the integrand along a coordinate axis, which is used to evaluate the Green’s theorem line integral. We present two methods to compute the intermediate quadrature rule. The first is spectrally accurate (it converges faster than any algebraic order with respect to number of quadrature points) and is relatively easy to implement, but has no guarantee of polynomial exactness. The second guarantees exactness for polynomial integrands up to a pre-specified degree with an a priori-known number of quadrature points and retains the convergence properties of the first, but is slightly more complicated. The quadrature schemes have applications to computation of geometric moments, immersogeometric analysis, conservative field transfer between high-order meshes, and initialization of multi-material simulations with rational geometry. We compare the quadrature schemes produced using our method to other methods in the literature and show that they are much more efficient both in terms of number of quadrature points and computational time. We provide an open-source implementation of the algorithm in MATLAB.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Implementation of higher-order velocity mapping between marker particles and grid in the particle-in-cell code XGC

The global total-f gyrokinetic particle-in-cell code XGC, used to study transport in magnetic fusion plasmas or to couple with a core gyrokinetic code while functioning as an edge gyrokinetic code, implements a five-dimensional continuum grid to perform the dissipative operations, such as plasma collisions, or to exchange the particle distribution function information with a core code. To transfer the distribution function between marker particles and a rectangular two-dimensional velocity-space grid, XGC employs a bilinear mapping. The conservation of particle density and momentum is accurate enough in this bilinear operation, but the error in the particle energy conservation can become undesirably large and cause non-negligible numerical heating in a steep edge pedestal. In the present work we update XGC to use a novel mapping technique, based on the calculation of a pseudo-inverse, to exactly preserve moments up to the order of the discretization space. Here we describe the details of the implementation and we demonstrate the reduced interpolation error for a tokamak test plasma using first- and second-order elements with the pseudo-inverse method and comparing with the bilinear mapping.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1998

The Real-Time Wall Interference Correction System of the NASA Ames 12-Foot Pressure Wind Tunnel

An improved version of the Wall Signature Method was developed to compute wall interference effects in three-dimensional subsonic wind tunnel testing of aircraft models in real-time. The method may be applied to a full-span or a semispan model. A simplified singularity representation of the aircraft model is used. Fuselage, support system, propulsion simulator, and separation wake volume blockage effects are represented by point sources and sinks. Lifting effects are represented by semi-infinite line doublets. The singularity representation of the test article is combined with the measurement of wind tunnel test reference conditions, wall pressure, lift force, thrust force, pitching moment, rolling moment, and pre-computed solutions of the subsonic potential equation to determine first order wall interference corrections. Second order wall interference corrections for pitching and rolling moment coefficient are also determined. A new procedure is presented that estimates a rolling moment coefficient correction for wings with non-symmetric lift distribution. Experimental data obtained during the calibration of the Ames Bipod model support system and during tests of two semispan models mounted on an image plane in the NASA Ames 12 ft. Pressure Wind Tunnel are used to demonstrate the application of the wall interference correction method.

Ulbrich, Norbert↗

NASA NTRS1974

Analysis of strip antennas in the presence of a dielectric inhomogeneity

Moment method solutions are considered for treating the problem of wire antennas in the presence of an arbitrary dielectric inhomogeneity. In the first method, the current on the wire and the electric field intensity in the inhomogeneity are treated as independent unknowns, while in the second and third methods they are treated as dependent unknowns. The third method is applied to the problem of strip antennas in an electrically thin dielectric slab. Numerical results are presented, and are in good agreement with measurements and previous calculations.

Newman, E. H.↗

NASA NTRS1974

Ion and electron temperatures in the SUMMA mirror device by emission spectroscopy

Ion and electron temperatures, and ion drift were measured in a superconducting magnetic mirror apparatus by observing the Doppler-broadened charge-exchange component of the 667.8 and 587.6 nanometer He lines in He plasma, and the H sub alpha and H sub beta lines in H2 plasma. The second moment of the line profiles was used as the parameter for determining ion temperature. Corrections for magnetic splitting, fine structure, monochromator slit function, and variation in charge-exchange cross section with energy are included. Electron temperatures were measured by the line ratio method for the corona model, and correlations of ion and electron temperatures with plasma parameters are presented.

Patch, R. W.↗

DOE OSTI2021

Thermal energy storage apparatus, controllers and thermal energy storage control methods

Thermal energy storage apparatus, controllers and thermal energy storage control methods are described. According to one aspect, a thermal energy storage apparatus controller includes processing circuitry configured to access first information which is indicative of surpluses and deficiencies of electrical energy upon an electrical power system at a plurality of moments in time, access second information which is indicative of temperature of a thermal energy storage medium at a plurality of moments in time, and use the first and second information to control an amount of electrical energy which is utilized by a heating element to heat the thermal energy storage medium at a plurality of moments in time.

Hammerstrom, Donald J.↗

DOE OSTI2025

Discrete fracture network model benchmarks developed and applied in a DECOVALEX-2023 repository performance assessment study

This study presents newly developed benchmarks for modeling flow and transport within discrete fracture networks (DFNs) and useful methods for analyzing the results. The new benchmarks are designed to test modeling approaches for use in probabilistic performance assessment models of deep geologic repositories in fractured rock. The benchmarks simulate flow and transport through a 1 km 3 block of fractured rock. The first simulates migration of a short pulse of tracer through a simple network of four intersecting fractures. The second adds 1089 stochastically generated fractures. The third changes the pulse to a continuous point source. Evaluation of model performance relies on moment analysis and comparison of the results of different models. The expected nondimensional first moment of the conservative tracer for each benchmark is 1. The benchmarks were simulated by teams from Canada, Czechia, Germany, Korea, Sweden, Taiwan, and the United States as part of a DECOVALEX-2023 study (decovalex.org). The teams used various approaches, including explicit DFN modeling, DFN upscaling to an equivalent continuous porous medium (ECPM), and a combination of both methods. Transport mechanisms are modeled using either the advection-dispersion equation or particle tracking. Results demonstrate strong agreement among the models in breakthrough behavior up to the 75th percentile. Significant deviations in first moments and well-clustered outputs led to the identification of inaccuracies in several models. Such findings exemplify the benefit of exercising these benchmarks and using the presented methods to test DFN flow and transport models.

Benchmark↗

DOE OSTI2024

Probing the sterile neutrino dipole portal with SN1987A and low-energy supernovae

Beyond the Standard Model electromagnetic properties of neutrinos may lead to copious production of sterile neutrinos in the hot and dense core of a core-collapse supernova. In this work, we focus on the active-sterile transition magnetic moment portal for heavy sterile neutrinos. Firstly, we revisit the SN1987A cooling bounds for dipole portal using the integrated luminosity method, which yields more reliable results (especially in the trapping regime) compared to the previously explored via emissivity loss, also known as the Raffelt criterion. Secondly, we obtain strong bounds on the dipole coupling strength reaching as low as 10 − 11 GeV − 1 from energy deposition, i.e., constrained from the observation of explosion energies of underluminous Type IIP supernovae. In addition, we find that sterile neutrino production from Primakoff upscattering off of a proton dominates over scattering off of an electron for low sterile neutrino masses. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

NASA NTRS1975

Saturation effects associated with sound propagation in a turbulent medium

A theoretical analysis of the acoustic wave field radiated by a time-harmonic point source in a homogeneous, isotropic turbulent medium is presented. The smoothing method is used to study the incoherent, or randomly fluctuating, component of the wave field. The analysis considers the effect on the wave of the velocity fluctuations, as well as the index-of-refraction fluctuations, of the medium. An approximate expression for the second moment of the incoherent wave is obtained for the case in which the wavelenght is much less than the minimum correlation length of the medium. This expression shows that the fluctuations of the wave increase initially in proportion to the propagation distance, but that at larger distances they tend to a limiting, or saturation, value. These results agree with observations of waves propagating in real media. It is also found that the mean square of the total (i.e., coherent plus incoherent) acoustic pressure is unaffected by the randomness of the medium.

Wenzel, A. R.↗

NASA NTRS2017

Electromagnetic Monitoring and Control of a Plurality of Nanosatellites

A method for monitoring position of and controlling a second nanosatellite (NS) relative to a position of a first NS. Each of the first and second NSs has a rectangular or cubical configuration of independently activatable, current-carrying solenoids, each solenoid having an independent magnetic dipole moment vector, .mu.1 and .mu.2. A vector force F and a vector torque are expressed as linear or bilinear combinations of the first set and second set of magnetic moments, and a distance vector extending between the first and second NSs is estimated. Control equations are applied to estimate vectors, .mu.1 and .mu.2, required to move the NSs toward a desired NS configuration. This extends to control of N nanosatellites.

Soloway, Donald I.↗

NASA NTRS2021

What it Takes to Compute Highly Accurate Rovibrational Line Lists for Use in Astrochemistry

We review the Best Theory + Reliable High-resolution Experiment (BTRHE) strategy for obtaining highly accurate molecular rovibrational line lists with InfraRed (IR) intensities. The need for highly accurate molecular rovibrational line lists is two-fold: a) assignment of the many rovibrational lines for common stable molecules especially those that exhibit a large amplitude motion, such as NH3, or have a high density of states such as SO2; and b) characterization of the atmospheres of exoplanets which will be one of the main areas of research in astronomy in the coming decades. The first motivation arises due to the need to eliminate lines due to common molecules in an astronomical observation in order to identify lines from new molecules, while the second motivation arises due to the need to obtain accurate molecular opacities in order to characterize the atmosphere of an exoplanet. The BTRHE strategy first consists of using high quality ab initio quantum chemical methods to obtain a global potential energy surface (PES) and dipole moment surface (DMS) that contains the proper physics. The global PES is then refined using a subset of the reliable high-resolution experimental data. The refined PES then gives energy level predictions to an accuracy similar to the reproduction accuracy of the experimental data used in the refinement step in the interpolation region (i.e., within the range of the experimental data used in the refinement step). The accuracy of the energy levels will slowly degrade as they are extrapolated to spectral regions beyond the high-resolution experimental data used in the refinement step. However, because the degradation is slow, the predicted energy levels can be used to assign new high-resolution experiments, and the data from these can then be used in a subsequent refinement step. In this way, the global PES eventually can yield highly accurate energy levels for all desired spectral regions including to very high energies and high J values. We show that IR intensities computed with the BTRHE rovibrational wavefunctions and the DMS can be very accurate provided one has minimized the fitting error of the DMS and tested the completeness of the DMS. Some examples of our work on NH3, CO2, and SO2 are given to highlight the usefulness of the BTRHE strategy and to provide ideas on how to further improve its predictive power in the future. In particular, it is shown how successive refinement steps, once new high-resolution data is available, can lead to PESs that yield highly accurate transition energies to larger spectral regions. The importance of including non-adiabatic corrections to reduce the J-dependence of errors for H-containing molecules is shown with work on NH3. Another very important aspect of the BTRHE approach is the consistency across isotopologues, which allows for highly accurate line lists for any isotopologue once one is obtained for the main isotopologue (which has more high-resolution data available for refinement).

Xinchuan Huang↗

DOE OSTI2020

An extended moments model of quantum efficiency for metals and semiconductors

The complexity of photocathode designs and detector materials, and the need to model their performance for short pulse durations, response to high frequency photons, presence of coatings and/or thinness of the absorptive layer, necessitates modifications to three-step and moments models of photoemission that are used in simulation codes. Here, methods to include input from computationally intensive approaches, such as density functional theory to model optical properties and transfer matrix approaches to treat emission from the surface or transport past coatings, by means of parametric models are demonstrated. First, a technique to accurately represent optical behavior so as to model reflectivity and penetration depth is given. Second, modifications to bulk models arising from the usage of thin film architectures, and a means to rapidly calculate them, is provided. Third, a parameterization to model the impact of wells associated with coatings and surface layers on the transmission probably is given. In all cases, the methods are computationally efficient and designed to allow for including input from numerically intensive approaches that would otherwise be unavailable for simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1993

Kinetic relaxation of a non-Maxwellian monatomic gas in a state of gross rest

The kinetic relaxation of a monatomic gas in a state of gross rest is studied by use of Maxwell's second-order moment equation. The molecular models considered range from the hard sphere to the Maxwell molecule. The development is exact for an ellipsoidal distribution and becomes a good approximation for more general distributions. The results show that the relaxation of second-order moments is nearly exponential for power-law molecules and that the characteristic time mu/p appears as the principal controlling parameter while the power-law constant plays a secondary role. Comparisons between results of numerical simulations using Bird's direct simulation Monte Carlo method and theory show excellent agreement for both hard-sphere and Maxwell molecules.

Baganoff, D.↗