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DOE OSTI2018

Efficient reactive Brownian dynamics

We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are closer than a chosen reactive distance. In our Doi model, we ensure that the microscopic reaction rules for various association and dissociation reactions are consistent with detailed balance (time reversibility) at thermodynamic equilibrium. The SRBD algorithm uses Strang splitting in time to separate reaction and diffusion and solves both the diffusion-only and reaction-only subproblems exactly, even at high packing densities. To efficiently process reactions without uncontrolled approximations, SRBD employs an event-driven algorithm that processes reactions in a time-ordered sequence over the duration of the time step. A grid of cells with size larger than all of the reactive distances is used to schedule and process the reactions, but unlike traditional grid-based methods such as reaction-diffusion master equation algorithms, the results of SRBD are statistically independent of the size of the grid used to accelerate the processing of reactions. We use the SRBD algorithm to compute the effective macroscopic reaction rate for both reaction-limited and diffusion-limited irreversible association in three dimensions and compare to existing theoretical predictions at low and moderate densities. We also study long-time tails in the time correlation functions for reversible association at thermodynamic equilibrium and compare to recent theoretical predictions. Finally, we compare different particle and continuum methods on a model exhibiting a Turing-like instability and pattern formation. Our studies reinforce the common finding that microscopic mechanisms and correlations matter for diffusion-limited systems, making continuum and even mesoscopic modeling of such systems difficult or impossible. We also find that for models in which particles diffuse off lattice, such as the Doi model, reactions lead to a spurious enhancement of the effective diffusion coefficients.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Evolution of the beam-width parameter of zeroth-order Bessel–Gaussian beams in collisional plasma with density ripple

In the present paper, we have investigated the self-focusing of zeroth-order Bessel–Gaussian beams in collisional plasma with density ripple. Based on Wentzel–Kramers–Brillouin and the paraxial ray approximations, the nonlinear differential equation governing the evolution of beam-width parameter is evaluated. The variation of beam-width parameter with propagation distance is examined for different values of ripple wave number and beam parameters. From our study, it is seen that stronger self-focusing is obtained when the density ripple is important. The results corresponding to Gaussian beams are deduced from this work as a particular case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Communication: Improved pair approximations in local coupled-cluster methods

In local coupled cluster treatments the electron pairs can be classified according to the magnitude of their energy contributions or distances into strong, close, weak, and distant pairs. Different approximations are introduced for the latter three classes. In this communication, an improved simplified treatment of close and weak pairs is proposed, which is based on long-range cancellations of individually slowly decaying contributions in the amplitude equations. Benchmark calculations for correlation, reaction, and activation energies demonstrate that these approximations work extremely well, while pair approximations based on local second-order Møller-Plesset theory can lead to errors that are 1-2 orders of magnitude larger.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

A new dynamical mass measurement for the Virgo cluster using the radial velocity profile of the filament galaxies

The radial velocities of the galaxies in the vicinity of a cluster show deviation from the pure Hubble flow due to their gravitational interaction with the cluster. According to a recent study by Falco et al. based on a high-resolution N-body simulation, the radial velocity profile of galaxies located at distances larger than three times the virial radius of a neighboring cluster can be well approximated by a universal formula, and could be reconstructed from direct observables provided that the galaxies are distributed along a one-dimensional filament. They suggested an algorithm designed to estimate the dynamic mass of a cluster M{sub v} by fitting the universal formula from the simulation to the reconstructed radial velocity profile of the filament galaxies around the cluster from observations. We apply the algorithm to two narrow, straight filaments (referred to as Filaments A and B) that were recently identified by Kim et al. in the vicinity of the Virgo cluster from the NASA-Sloan-Atlas catalog. The dynamical mass of the Virgo cluster is estimated to be M{sub v}=(0.84{sub −0.51}{sup +2.75})×10{sup 15} h{sup −1} M{sub ⊙} and M{sub v}=(3.24{sub −1.31}{sup +4.99})×10{sup 15} h{sup −1} M{sub ⊙} for the cases of Filaments A and B, respectively. We discuss the observational and theoretical systematics intrinsic to the method of Falco et al. as well as the physical implication of the final results.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Visibility and Visual Characteristics of the Ivanpah Solar Electric Generating System Power Tower Facility

This report presents the results of a study conducted to document the visibility and visual characteristics of the Ivanpah Solar Electric Generating System (ISEGS), a utility-scale solar power tower facility located on land administered by the U.S. Department of the Interior Bureau of Land Management in southern California. Study activities consisted of field observations of the ISEGS facility and comparison of the observations made in the field with the visual contrast assessments and visual simulations in the ISEGS Final Environmental Impact Statement (Final EIS) and supporting documents created prior to ISEGS construction. Field observations of ISEGS were made from 19 locations within 35 mi (56 km) of the facility in the course of one week in September 2014. The study results established that reflected sunlight from the receivers was the primary source of visual contrast from the operating ISEGS facility. The ISEGS facility was found to be a major source of visual contrast for all observations up to 20 mi (32 km), and was easily visible at 35 mi. Glare from individual heliostats was frequently visible, and often brighter than the reflected light from the receivers. Heliostat glare caused discomfort for one or more viewers at distances up to 20 mi. The ISEGS power blocks were brightly lit at night, and were conspicuous at the observation distance of approximately 6 mi (10 km). The facility is substantially brighter and is seen more clearly in the field than in photographs of the facility or in the prepared simulations, which were based on photographs. The simulations of the ISEGS facility in the Final EIS, which were evaluated as part of this study, sometimes lacked spatial accuracy and realism. The evaluated simulations generally under-represented the actual visual contrast from the project, and some of the contrast ratings in the Final EIS predicted substantially lower levels of visual contrast than were actually observed for the operating facility.

14 SOLAR ENERGY↗

DOE OSTI2021

Programmatic Advantages of Linear Equivalent Seismic Models

Underground explosions nonlinearly deform the surrounding earth material and can interact with the free surface to produce spall. However, at typical seismological observation distances the seismic wavefield can be accurately modeled using linear approximations. Although nonlinear algorithms can accurately simulate very near field ground motions, they are computationally expensive and potentially unnecessary for far field wave simulations. Conversely, linearized seismic wave propagation codes are orders of magnitude faster computationally and can accurately simulate the wavefield out to typical observational distances. Thus, devising a means of approximating a nonlinear source in terms of a linear equivalent source would be advantageous both for scenario modeling and for interpretation of seismic source models that are based on linear, far-field approximations. This allows fast linear seismic modeling that still incorporates many features of the nonlinear source mechanics built into the simulation results so that one can have many of the advantages of both types of simulations without the computational cost of the nonlinear computation. In this report we first show the computational advantage of using linear equivalent models, and then discuss how the near-source (within the nonlinear wavefield regime) environment affects linear source equivalents and how well we can fit seismic wavefields derived from nonlinear sources.

58 GEOSCIENCES↗

DOE OSTI2024

Medial axis and local thickness computation using the Fast Sweeping Method

This report describes an efficient and robust voxel-based methodology for computing the medial axis, local thickness, and distance-to-skeleton of arbitrary three-dimensional geometries. It is assumed that the object can be represented by an exact or approximate signed distance function on a discrete grid. The gradient of such function is used to formulate a hyperbolic partial differential equation (PDE) that models the collapse of the position vector in space. By exploiting the causality property of the PDE, the Fast Sweeping Method is able to obtain the solution in a finite number of sweeps independent of the mesh resolution. The intersection of characteristic lines leads to the formation of shocks and a discrete bisector function is used to identify the medial axis. The same PDE approach is used to compute the local thickness inside the object and obtain the distance-to-skeleton field. Multiple examples are given in two and three dimensions along with a resolution study. The methodology has optimal complexity and yields subsecond computational times for geometries with over a million zones on a single core. The methodology is also capable of parallelization across shared and distributed memory architectures.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2016

OSSOS. IV. Discovery of a Dwarf Planet Candidate in the 9:2 Resonance with Neptune

We report the discovery and orbit of a new dwarf planet candidate, 2015 RR245, by the Outer Solar System Origins Survey (OSSOS). The orbit of 2015 RR245 is eccentric (e 0.586), with a semimajor axis near 82 au, yielding a perihelion distance of 34 au. 2015 RR245 has g - r 0.59 +/- 0.11 and absolute magnitude Hr 3.6 +/- 0.1; for an assumed albedo of pV 12, the object has a diameter of approximately 670 km. Based on astrometric measurements from OSSOS and Pan-STARRS1, we find that 2015 RR245 is securely trapped on ten-megayear timescales in the 9:2 mean-motion resonance with Neptune. It is the first trans-Neptunian object (TNO) identied in this resonance. On hundred-megayear timescales, particles in 2015 RR245-like orbits depart and sometimes return to the resonance, indicating that 2015 RR245 likely forms part of the long-lived metastable population of distant TNOs that drift between resonance sticking and actively scattering via gravitational encounters with Neptune. The discovery of a 9:2 TNO stresses the role of resonances in the long-term evolution of objects in the scattering disk and reinforces the view that distant resonances are heavily populated in the current solar system. This object further motivates detailed modeling of the transient sticking population.

Bannister, Michele T.↗

NASA NTRS1993

Expansion-based passive ranging

A new technique of passive ranging which is based on utilizing the image-plane expansion experienced by every object as its distance from the sensor decreases is described. This technique belongs in the feature/object-based family. The motion and shape of a small window, assumed to be fully contained inside the boundaries of some object, is approximated by an affine transformation. The parameters of the transformation matrix are derived by initially comparing successive images, and progressively increasing the image time separation so as to achieve much larger triangulation baseline than currently possible. Depth is directly derived from the expansion part of the transformation. To a first approximation, image-plane expansion is independent of image-plane location with respect to the focus of expansion (FOE) and of platform maneuvers. Thus, an expansion-based method has the potential of providing a reliable range in the difficult image area around the FOE. In areas far from the FOE the shift parameters of the affine transformation can provide more accurate depth information than the expansion alone, and can thus be used similarly to the way they were used in conjunction with the Inertial Navigation Unit (INU) and Kalman filtering. However, the performance of a shift-based algorithm, when the shifts are derived from the affine transformation, would be much improved compared to current algorithms because the shifts - as well as the other parameters - can be obtained between widely separated images. Thus, the main advantage of this new approach is that, allowing the tracked window to expand and rotate, in addition to moving laterally, enables one to correlate images over a very long time span which, in turn, translates into a large spatial baseline - resulting in a proportionately higher depth accuracy.

Barniv, Yair↗

DOE OSTI2025

Effect of particle size and moisture on flow performance of loblolly pine anatomical fractions: Experimental findings and model predictions

The rising energy demand has highlighted biomass as a promising next-generation energy source. However, commercializing biomass-derived energy faces challenges, particularly in handling biomass feedstock. Factors like particle size, shape, moisture content, and surface roughness significantly impact biomass flowability. This study addresses a crucial knowledge gap by examining the effects of particle size and moisture content on the flow behavior and shear properties of different anatomical fractions of loblolly pine (Pinus taeda). The bulk shear behavior was examined using a Schulze ring shear tester, while flow performance was tested through gravity-driven flow experiments in a variable wedge-shape hopper. Results were incorporated into empirical and machine learning-based flow prediction models to evaluate their accuracy and limitations. The study found that samples with higher moisture content show higher unconfined yield strength. The critical arching distance increased with particle size, e.g., from approximately 13 and 33 mm for 2- and 6-mm whole chips, respectively at a 32-degree inclination angle. Conversely, the flow rate decreased for a given hopper opening as particle size increased. For instance, at a 60-mm hopper opening and a 32-degree inclination angle, the mass flow rates for 2- and 6-mm whole chips were 7.83 and 6.42 tonne/h, respectively. The empirical model consistently overpredicted the mass flow rate for all anatomical fractions, while the machine learning model more accurately predicted the central tendency of flow rate but was insensitive to varying tissue proportions. These novel findings provide comprehensive characterization of anatomical fractions, reveal significant combined effects of particle size and moisture content on biomass flow behavior, and demonstrate a better predictive accuracy of a machine learning model, all of which are useful for optimizing material handling strategies and biomass utilization technologies in the industry.

09 - BIOMASS FUELS↗

DOE OSTI2015

Second harmonic generation of q-Gaussian laser beam in preformed collisional plasma channel with nonlinear absorption

This paper presents a scheme for second harmonic generation of an intense q-Gaussian laser beam in a preformed parabolic plasma channel, where collisional nonlinearity is operative with nonlinear absorption. Due to nonuniform irradiance of intensity along the wavefront of the laser beam, nonuniform Ohmic heating of plasma electrons takes place. Due to this nonuniform heating of plasma, the laser beam gets self-focused and produces strong density gradients in the transverse direction. The generated density gradients excite an electron plasma wave at pump frequency that interacts with the pump beam to produce its second harmonics. The formulation is based on a numerical solution of the nonlinear Schrodinger wave equation in WKB approximation followed by moment theory approach. A second order nonlinear differential equation governing the propagation dynamics of the laser beam with distance of propagation has been obtained and is solved numerically by Runge Kutta fourth order technique. The effect of nonlinear absorption on self-focusing of the laser beam and conversion efficiency of its second harmonics has been investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Scattering off molecules far from equilibrium

We report that pump-probe gas phase X-ray scattering experiments, enabled by the development of X-ray free electron lasers, have advanced to reveal scattering patterns of molecules far from their equilibrium geometry. While dynamic displacements reflecting the motion of wavepackets can probe deeply into the reaction dynamics, in many systems, the thermal excitation embedded in the molecules upon optical excitation and energy randomization can create systems that encompass structures far from the ground state geometry. For polyatomic molecular systems, large amplitude vibrational motions are associated with anharmonicity and shifts of interatomic distances, making analytical solutions using traditional harmonic approximations inapplicable. More generally, the interatomic distances in a polyatomic molecule are not independent and the traditional equations commonly used to interpret the data may give unphysical results. Here, we introduce a novel method based on molecular dynamic trajectories and illustrate it on two examples of hot, vibrating molecules at thermal equilibrium. When excited at 200 nm, 1,3-cyclohexadiene (CHD) relaxes on a subpicosecond time scale back to the reactant molecule, the dominant pathway, and to various forms of 1,3,5-hexatriene (HT). With internal energies of about 6 eV, the energy thermalizes quickly, leading to structure distributions that deviate significantly from their vibrationless equilibrium. The experimental and theoretical results are in excellent agreement and reveal that a significant contribution to the scattering signal arises from transition state structures near the inversion barrier of CHD. In HT, our analysis clarifies that previous inconsistent structural parameters determined by electron diffraction were artifacts that might have resulted from the use of inapplicable analytical equations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

High-Frequency Signature-Based Fault Detection for Future MV Distribution Grids

Increasing penetration levels of inverter based distributed energy resources (DERs) impact the legacy distribution system protection. Inverter based DERs provide approximately 1.2-2 pu fault current. In systems with high penetration of inverter based DERs, it is difficult for over-current based protection schemes to differentiate between normal loading conditions and a fault. Directional, distance, and adaptive forms of protection schemes are also affected by low fault currents. This paper analyzes fault generated traveling wave (TW) based high-frequency signatures in the distribution system. In order to simulate such signatures, frequency-dependent distributed parameter line modeling approach is used in this research work to represent distribution lines and underground cables. Modified IEEE 13-bus medium voltage test system is modeled in electromagnetic transient simulation tool and multiple transient scenarios are simulated in this test system. The results are analyzed to understand the high-frequency signatures that can be used to detect and locate faults under high penetration of DERs.

41 EE - Solar Energy Technologies Office (EE-4S)↗

NASA NTRS1988

Engineering planetary lasers for interstellar communication

Transmitting large amounts of data efficiently among neighboring stars will vitally support any eventual contact with extrasolar intelligence, whether alien or human. Laser carriers are particularly suitable for high-quality, targeted links. Space laser transmitter systems designed by this work, based on both demonstrated and imminent advanced space technology, could achieve reliable data transfer rates as high as 1 kb/s to matched receivers as far away as 25 pc, a distance including over 700 approximately solar-type stars. The centerpiece of this demonstration study is a fleet of automated spacecraft incorporating adaptive neural-net optical processing active structures, nuclear electric power plants, annular momentum control devices, and ion propulsion. Together the craft sustain, condition, modulate, and direct to stellar targets an infrared laser beam extracted from the natural mesospheric, solar-pumped, stimulated CO2 emission recently discovered at Venus. For a culture already supported by mature interplanetary industry, the cost of building planetary or high-power space laser systems for interstellar communication would be marginal, making such projects relevant for the next human century. Links using high-power lasers might support data transfer rates as high as optical frequencies could ever allow. A nanotechnological society such as we might become would inevitably use 10 to the 20th power b/yr transmission to promote its own evolutionary expansion out of the galaxy.

Sherwood, Brent↗

NASA NTRS2008

Estimating Shock Spectra: Extensions beyond GEVS

Shock response spectra (SRS) are the standard description of some vibration environments on spacecraft for equipment qualification. For shock events produced by pyrotechnic devices, SRS can have significant frequency content as high as 10 kHz. It is difficult to construct and analyze finite element models that can resolve dynamic behavior at such high frequencies. GEVS provides simple, empirically based methods for approximating the SRS for a wide variety of shock events. It begins with a base SRS according to the type of pyrotechnic device, and then provides attenuation relations to adjust this SRS according to distance from the shock source, the type of structural frame and the properties of any structural joints between the source and equipment. In our paper we extend GEVS to include more detailed information about the spacecraft structure. To retain the general framework of GEVS, we begin with a base SRS and adjust this SRS using attenuation relations. We use modal and traveling wave concepts to derive the attenuation relations for simple canonical structures. Then we show how these concepts can be used to analyze more complex structures using finite element mode shapes to explicitly calculate the attenuation factors. Since the low- to mid-frequency finite element modal information is extrapolated to obtain the low- to high-frequency attenuation relations, the resulting attenuated SRS is formulated as an upper bound rather than as mean predicted values. We illustrate the extended GEVS approach by analyzing the impact response of composite tubes and the shock response of the STEREO spacecraft.

Igusa, Takeru↗

DOE OSTI2020

High-Frequency Signature-Based Fault Detection for Future MV Distribution Grids

41 EE - Solar Energy Technologies Office (EE-4S)↗

DOE OSTI2022

The use of subchondral bone topography to approximate the center of rotation of the elbow joint in dogs

Abstract Objectives The aim of this study was to compare the approximate center of rotation in normal and diseased elbows in dogs. Study design Cross‐sectional study Sample population Computer tomography scans of nine dogs with unilateral fragmented medial coronoid process (FMCP). Methods A board certified radiologist confirmed that each dog had unilateral FMCP, and a normal contralateral elbow. Digital 3D models of all elbow joints were uploaded into a surgical planning software package. Four axes approximating the center of rotation (COR) of elbow joints were generated using five geometric shapes based on subchondral topography of the humeral condyle radius and ulna. Images showing the locations where axes exited the medial and lateral cortex of the humeral condyle were captured and imported into a second software package, for measurement of distances between exit points and the origin of a system of axes. Results In normal joints 20/27 (74%) axes exited the medial cortex, and 25/27 (93%) axes exited the lateral cortex cranial and distal to the medial and lateral epicondyles, respectively. In diseased joints 22/27 (81%) axes exited medial cortex and 19/27 (70%) axes exited the lateral cortex, caudal and distal to the medial and lateral epicondyles, respectively. Conclusion Based on CT‐ derived geometry, the COR of elbow affected with FMCP was generally more caudal than normal. Clinical significance External landmarks approximating the location of the elbow COR are provided, and while not validated, may assist in planning, creation, and assessment of procedures for FMCP.

Berger, Chen↗

NASA NTRS1994

Measurement and interpretation of crustal deformation rates associated with postglacial rebound

Analysis of Global Positioning System (GPS) data from two sites separated by horizontal distance of only approximately 2.2 m yielded phase residuals exhibiting a systematic elevation angle dependence. One of the two GPS antennas was mounted on an approximately 1 m high concrete pillar, and the other was mounted on a standard wooden tripod. We performed elevation angle cutoff tests with these data, and established that the vertical coordinate of site position was sensitive to the minimum elevation angle (elevation cutoff) of the data analyzed. For example, the vertical coordinate of site position changed by 9.7 plus or minus 0.8 mm when the minimum elevation angle was increased from 10 to 25. We performed simulations based on a simple (ray tracing) multipath model with a single horizontal reflector, and demonstrated that the elevation angle cutoff test results and the pattern of the residual versus elevation angle could be qualitatively reproduced if the reflector were located 0.1-0.2 m beneath the antenna phase center. We therefore, hypothesized that the source of the elevation-angle-dependent error were multipath reflections and scattering and that the horizontal surface of the pillar, located a distance of approximately 0.2 m beneath the antenna phase center, was the primary reflector. We tested this hypothesis by placing microwave absorbing material between the antenna and the pillar in a number of configurations and analyzed the changes in apparent position of the antenna. The results indicate that (1) the horizontal surface of the pillar is indeed the main reflector, (2) both the concrete and the metal plate embedded in the pillar are significant reflectors, and (3) the reflection can be reduced to a great degree by the use of microwave absorbing materials. These results have significant implications for the accuracy of global GPS geodetic tracking networks which use pillar-antenna configuration identical or similar to the one used here (at the Westford WFRD GPS site).

Davis, James L.↗