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DOE OSTI2024

Shape effects on the local dynamics of suspensions of spheroidal particles

The effect of shape on the dynamics of suspensions of non-spherical heavy particles is examined by fully resolved numerical simulations of oblate and prolate spheroids, as well as spheres, for a density ratio of ten, volume fractions ranging from 0.5% to 5%, and Reynolds numbers between 20 and 30. The dynamics is determined both by the interactions of the particles with the fluid as well as by collisions, with the number and importance of collisions increasing with volume fractions. A single isolated oblate or prolate spheroid falling under gravity generally falls broadside on, for the governing parameters examined here, and at low-volume fractions, the majority of particles in a suspension fall that way. At higher-volume fractions, the orientation is more random. The slip velocity decreases as the volume fraction increases for all shapes, as expected, but the effect of the shape is much less than seen for a single particle. Furthermore, this seems to be due to two effects. For all volume fractions, the most deformed particles cluster more than spheres and less deformed particles, which increases their slip velocity. As the concentration increases, the increased particle interactions also causes more particles to fall short side-on, which reduces the frontal area and the resulting drag, increasing the slip velocity. This second effect is, of course, absent for spherical particles.

42 ENGINEERING↗

DOE OSTI2026

Structure-aware Initialization via Numerical Continuation and Informed Priors

Scientific machine learning (SciML) often operates in ill-conditioned, weakly identifiable regimes due to limited data or indirect observations. In such settings, optimization and inference are highly sensitive to the starting point, making initialization--often under-reported--a consequential degree of freedom. Random initialization is not a neutral default as it induces an implicit prior over candidate solutions and can systematically bias the result, producing large run-to-run variability. Here, we formalize this view by treating initialization as a hidden confounder in SciML and develop a unifying theory for structure-aware initialization via numerical continuation, constructing warm starts from related problem instances. Across representative tasks, including physics-informed neural networks, maximum likelihood estimation, and variational inference, warm starts have been shown to consistently reduce optimization effort and improve reliability.

Data integrity↗

DOE OSTI2021

The PENELOPE Physics Models and Transport Mechanics. Implementation into Geant4

A translation of the PENELOPE physics subroutines to C++, designed as an extension of the GEANT4 toolkit, is presented. The Fortran code system PENELOPE performs Monte Carlo simulation of coupled electron-photon transport in arbitrary materials for a wide energy range, nominally from 50 eV up to 1 GeV. PENELOPE implements the most reliable interaction models that are currently available, limited only by the required generality of the code. In addition, the transport of electrons and positrons is simulated by means of an elaborate class II scheme in which hard interactions (involving deflection angles or energy transfers larger than pre-defined cutoffs) are simulated from the associated restricted differential cross sections. After a brief description of the interaction models adopted for photons and electrons/positrons, we describe the details of the class-II algorithm used for tracking electrons and positrons. The C++ classes are adapted to the specific code structure of GEANT4. They provide a complete description of the interactions and transport mechanics of electrons/positrons and photons in arbitrary materials, which can be activated from the G4ProcessManager to produce simulation results equivalent to those from the original PENELOPE programs. The combined code, named PENG4, benefits from the multi-threading capabilities and advanced geometry and statistical tools of GEANT4.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Parallelized domain decomposition for multi-dimensional Lagrangian random walk mass-transfer particle tracking schemes

Lagrangian particle tracking schemes allow a wide range of flow and transport processes to be simulated accurately, but a major challenge is numerically implementing the inter-particle interactions in an efficient manner. This article develops a multi-dimensional, parallelized domain decomposition (DDC) strategy for mass-transfer particle tracking (MTPT) methods in which particles exchange mass dynamically. We show that this can be efficiently parallelized by employing large numbers of CPU cores to accelerate run times. In order to validate the approach and our theoretical predictions we focus our efforts on a well-known benchmark problem with pure diffusion, where analytical solutions in any number of dimensions are well established. In this work, we investigate different procedures for “tiling” the domain in two and three dimensions (2-D and 3-D), as this type of formal DDC construction is currently limited to 1-D. An optimal tiling is prescribed based on physical problem parameters and the number of available CPU cores, as each tiling provides distinct results in both accuracy and run time. We further extend the most efficient technique to 3-D for comparison, leading to an analytical discussion of the effect of dimensionality on strategies for implementing DDC schemes. Increasing computational resources (cores) within the DDC method produces a trade-off between inter-node communication and on-node work. For an optimally subdivided diffusion problem, the 2-D parallelized algorithm achieves nearly perfect linear speedup in comparison with the serial run-up to around 2700 cores, reducing a 5 h simulation to 8 s, while the 3-D algorithm maintains appreciable speedup up to 1700 cores.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Impact of dynamics, entanglement and Markovian noise on the fidelity of few-qubit digital quantum simulation

Quantum algorithms have been proposed to accelerate the simulation of the chaotic dynamical systems that are ubiquitous in the physics of plasmas. Quantum computers without error correction might even use noise to their advantage to calculate the Lyapunov exponent by measuring the Loschmidt echo fidelity decay rate. For the first time, digital Hamiltonian simulations of the quantum sawtooth map, performed on the IBM-Q quantum hardware platform, show that the fidelity decay rate of a digital quantum simulation increases during the transition from dynamical localization to chaotic diffusion in the map. The observed error per CNOT gate increases by $1.5{\times }$ as the dynamics varies from localized to diffusive, while only changing the phases of virtual RZ gates and keeping the overall gate count constant. A gate-based Lindblad noise model that captures the effective change in relaxation and dephasing errors during gate operation qualitatively explains the effect of dynamics on fidelity as being due to the localization and entanglement of the states created. Specifically, highly delocalized states that are entangled with random phases show an increased sensitivity to dephasing and, on average, a similar sensitivity to relaxation as localized states. In contrast, delocalized unentangled states show an increased sensitivity to dephasing but a lower sensitivity to relaxation. This gate-based Lindblad model is shown to be a useful benchmarking tool by estimating the effective Lindblad coherence times during CNOT gates and finding a consistent $2\unicode{x2013}3{\times }$ shorter $T_2$ time than reported for idle qubits. Thus, the interplay of the dynamics of a simulation with the noise processes that are active can strongly influence the overall fidelity decay rate.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2012

Linear Estimation of Particle Bulk Parameters from Multi-Wavelength Lidar Measurements

An algorithm for linear estimation of aerosol bulk properties such as particle volume, effective radius and complex refractive index from multiwavelength lidar measurements is presented. The approach uses the fact that the total aerosol concentration can well be approximated as a linear combination of aerosol characteristics measured by multiwavelength lidar. Therefore, the aerosol concentration can be estimated from lidar measurements without the need to derive the size distribution, which entails more sophisticated procedures. The definition of the coefficients required for the linear estimates is based on an expansion of the particle size distribution in terms of the measurement kernels. Once the coefficients are established, the approach permits fast retrieval of aerosol bulk properties when compared with the full regularization technique. In addition, the straightforward estimation of bulk properties stabilizes the inversion making it more resistant to noise in the optical data. Numerical tests demonstrate that for data sets containing three aerosol backscattering and two extinction coefficients (so called 3 + 2 ) the uncertainties in the retrieval of particle volume and surface area are below 45% when input data random uncertainties are below 20 %. Moreover, using linear estimates allows reliable retrievals even when the number of input data is reduced. To evaluate the approach, the results obtained using this technique are compared with those based on the previously developed full inversion scheme that relies on the regularization procedure. Both techniques were applied to the data measured by multiwavelength lidar at NASA/GSFC. The results obtained with both methods using the same observations are in good agreement. At the same time, the high speed of the retrieval using linear estimates makes the method preferable for generating aerosol information from extended lidar observations. To demonstrate the efficiency of the method, an extended time series of observations acquired in Turkey in May 2010 was processed using the linear estimates technique permitting, for what we believe to be the first time, temporal-height distributions of particle parameters.

linear estimation↗

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↗

DOE OSTI2025

Algorithms for coordinate reconstruction in position-sensitive virtual Frisch-grid detectors

Arrays of position-sensitive virtual Frisch-grid (VFG) CdZnTe (CZT) detectors provide a cost-effective solution for integrating large-area arrays for gamma-ray imaging and spectroscopy. These detectors employ high-aspect ratio CZT crystals (bars) with thicknesses up to 50 mm and cross-sections of up to 10 × 10 mm 2 . Despite the long drift distances of charge carriers in such crystals, the detectors have demonstrated excellent performance, achieving energy resolutions better than 1 % full width at half maximum (FWHM) at 662 keV and 3D position resolutions finer than 1 mm. The high spatial resolution is a critical feature of these detectors, as it enables correction of response non-uniformities caused by crystal defects, which remain present even in the highest-quality CZT material. Dislocations and dislocation walls are the primary defects responsible for variations in charge carrier losses as they drift from the interaction points toward the charge-collecting electrodes. The mechanism by which these defects affect carrier transport is generally well understood. Dislocations and sub-grain boundaries act as sinks for carrier-trapping centers, primarily impurities and secondary phases such as tellurium inclusions and precipitates. Here, these regions exhibit significantly higher carrier-trapping rates, leading to variations in the μτ-products. Because the locations of these micron-sized regions are fixed within the detector volume, fluctuations in the total collected charge arise from the random distribution of interaction sites. This results in non-uniform detector responses and degradation of energy resolution. However, by measuring the interaction-site locations with sufficient precision, charge-loss variations can be accurately corrected, allowing recovery of nearly intrinsic energy resolution.

47 OTHER INSTRUMENTATION↗

NASA NTRS2017

Shallow Lunar Seismic Activity and the Current Stress State of the Moon

A vast, global network of more than 3200 lobate thrust fault scarps has been revealed in high resolution Lunar Reconnaissance Orbiter Camera (LROC) images. The fault scarps are very young, less than 50 Ma, based on their small scale and crisp appearance, crosscutting relations with small-diameter impact craters, and rates of infilling of associated small, shallow graben and may be actively forming today. The population of young thrust fault scarps provides a window into the recent stress state of the Moon and offers insight into the origin of global lunar stresses. The distribution of orientations of the fault scarps is non-random, inconsistent with isotropic stresses from late-stage global contraction as the sole source of stress. Modeling shows that tidal stresses contribute significantly to the current stress state of the lunar crust. Tidal stresses (orbital recession and diurnal tides) superimposed on stresses from global contraction result in non-isotropic compressional stress and may produce thrust faults consistent with lobate scarp orientations. At any particular point on the lunar surface, peak compressive stress will be reached at a certain time in the diurnal cycle. Coseismic slip events on currently active thrust faults are expected to be triggered when peak stresses are reached. Analysis of the timing of the 28 the shallow moonquakes recorded by the Apollo seismic network shows that 19 indeed occur when the Moon is closer to apogee, while only 9 shallow events occur when the Moon is closer to perigee. Here we report efforts to refine the model for the current stress state of the Moon by investigating the contribution of polar wander. Progress on relocating the epicentral locations of the shallow moonquakes using an algorithm designed for sparse networks is also reported.

structure↗

DOE OSTI2025

Prediction of vacancy defect diffusion paths in high entropy alloys via machine learning on molecular dynamics data

Identifying the diffusion path of point defects is a critical step in understanding their evolution and the mechanisms of related phenomena. Defect diffusion occurs at small length and time scales, with impacts on material properties that may continue to evolve over ns to μs, ms, and the continuum scale (s, min, etc., and cm, m, etc.). The time scale accessible to molecular dynamics (MD) simulations is limited by small step sizes, typically in the fs range. Thus, surrogate models of MD simulations through machine learning (ML)-based algorithms are of great interest, especially for complex systems such as high entropy alloys (HEAs). In this work, dynamics governing vacancy migration in HEA were approximated with graph convolutional network (GCN) models as ansatzes for kinetic Monte Carlo (KMC) rate catalogs. Network design considered that diffusion in crystalline solids generally depends on interactions between defects and their immediate neighbor atoms. Graphs represented the vacancy surroundings, MD-generated trajectories provided training and comparison datasets, and unsupervised GCN models approximated interatomic dynamics governing vacancy migration in HEAs as ansatzes for KMC. A proof-of-concept model trained on MD data for the Fe, Ni, Cr, Co, and Cu HEA environment was used with two different neighbor interactions to assess the feasibility of training a GCN to predict vacancy defect transition rates in the HEA environment. The resulting setup rapidly generated MD-formatted synthetic trajectories based on dynamics learned from the MD training set, with a time acceleration of roughly two orders of magnitude and a similar diffusion coefficient to MD observations. Additionally, Nudged Elastic Band (NEB) calculations were performed on randomly generated FeNiCrCoCu HEA structures to determine vacancy migration barriers across nearest-neighbor sites. Transition probabilities for each jump, categorized by atomic type, were extracted from these calculations. NEB-based and GCN-based approaches led to similar outcomes.

Reimer, C↗

NASA NTRS2011

Verification of the Solar Dynamics Observatory High Gain Antenna Pointing Algorithm Using Flight Data

The Solar Dynamics Observatory (SDO) is a NASA spacecraft designed to study the Sun. It was launched on February 11, 2010 into a geosynchronous orbit, and uses a suite of attitude sensors and actuators to finely point the spacecraft at the Sun. SDO has three science instruments: the Atmospheric Imaging Assembly (AIA), the Helioseismic and Magnetic Imager (HMI), and the Extreme Ultraviolet Variability Experiment (EVE). SDO uses two High Gain Antennas (HGAs) to send science data to a dedicated ground station in White Sands, New Mexico. In order to meet the science data capture budget, the HGAs must be able to transmit data to the ground for a very large percentage of the time. Each HGA is a dual-axis antenna driven by stepper motors. Both antennas transmit data at all times, but only a single antenna is required in order to meet the transmission rate requirement. For portions of the year, one antenna or the other has an unobstructed view of the White Sands ground station. During other periods, however, the view from both antennas to the Earth is blocked for different portions of the day. During these times of blockage, the two HGAs take turns pointing to White Sands, with the other antenna pointing out to space. The HGAs handover White Sands transmission responsibilities to the unblocked antenna. There are two handover seasons per year, each lasting about 72 days, where the antennas hand off control every twelve hours. The non-tracking antenna slews back to the ground station by following a ground commanded trajectory and arrives approximately 5 minutes before the formerly tracking antenna slews away to point out into space. The SDO Attitude Control System (ACS) runs at 5 Hz, and the HGA Gimbal Control Electronics (GCE) run at 200 Hz. There are 40 opportunities for the gimbals to step each ACS cycle, with a hardware limitation of no more than one step every three GCE cycles. The ACS calculates the desired gimbal motion for tracking the ground station or for slewing, and sends the command to the GCE at 5 Hz. This command contains the number of gimbals steps for that ACS cycle, the direction of motion, the spacing of the steps, and the delay before taking the first step. The AIA and HMI instruments are sensitive to spacecraft jitter. Pre-flight analysis showed that jitter from the motion of the HGAs was a cause of concern. Three jitter mitigation techniques were developed to overcome the effects of jitter from different sources. The first method is the random step delay, which avoids gimbal steps hitting a cadence on a jitter-critical mode by pseudo-randomly delaying the first gimbal step in an ACS cycle. The second method of jitter mitigation is stagger stepping, which forbids the two antennas from taking steps during the same ACS cycle in order to avoid constructively adding jitter from two antennas. The third method is the inclusion of an instrument No Step Request (NSR), which allows the instruments to request a stoppage in gimbal stepping during the times when they are taking images. During the commissioning phase of the mission, a jitter test was performed onboard the spacecraft. Various sources of jitter, such as the reaction wheels, the High Gain Antenna motors, and the motion of the instrument filter wheels, were examined to determine the level of their effect on the instruments. During the HGA portion of the test, the jitter amplitudes from the single step of a gimbal were examined, as well as the amplitudes due to the execution of various gimbal rates. These jitter levels are compared with the gimbal jitter allocations for each instrument. Additionally, the jitter test provided insight into a readback delay that exists with the GCE. Pre-flight analysis suggested that gimbal steps scheduled to occur during the later portion of an ACS cycle would not be read during that cycle, resulting in a delay in the telemetered current gimbal position. Flight data from the jitter test confirmed this expectation. Analysis is presentehat shows the readback delay does not have a negative impact on gimbal control. The decision was made to consider implementing two of the jitter mitigation techniques on board the spacecraft: stagger stepping and the NSR. Flight data from two sets of handovers, one set without jitter mitigation and the other with mitigation enabled, were examined. The trajectory of the predicted handover was compared with the measured trajectory for the two cases, showing that tracking was not negatively impacted with the addition of the jitter mitigation techniques. Additionally, the individual gimbal steps were examined, and it was confirmed that the stagger stepping and NSRs worked as designed. An Image Quality Test was performed to determine the amount of cumulative jitter from the reaction wheels, HGAs, and instruments during various combinations of typical operations. In this paper, the flight results are examined from a test where the HGAs are following the path of a nominal handover with stagger stepping on and HMI NSRs enabled. In this case, the reaction wheels are moving at low speed and the instruments are taking pictures in their standard sequence. The flight data shows the level of jitter that the instruments see when their shutters are open. The HGA-induced jitter is well within the jitter requirement when the stagger step and NSR mitigation options are enabled. The SDO HGA pointing algorithm was designed to achieve nominal antenna pointing at the ground station, perform slews during handover season, and provide three HGA-induced jitter mitigation options without compromising pointing objectives. During the commissioning phase, flight data sets were collected to verify the HGA pointing algorithm and demonstrate its jitter mitigation capabilities.

Bourkland, Kristin L.↗

NASA NTRS2017

Shallow Lunar Seismic Activity and the Current Stress State of the Moon

A vast, global network of more than 3200 lobate thrust fault scarps has been revealed in high resolution Lunar Reconnaissance Orbiter Camera (LROC) images. The fault scarps very young, less than 50 Ma, based on their small scale and crisp appearance, crosscutting relations with small-diameter impact craters, and rates of infilling of associated small, shallow graben and may be actively forming today. The population of young thrust fault scarps provides a window into the recent stress state of the Moon and offers insight into the origin of global lunar stresses. The distribution of orientations of the fault scarps is non-random, inconsistent with isotropic stresses from late-stage global contraction as the sole source of stress Modeling shows that tidal stresses contribute significantly to the current stress state of the lunar crust. Tidal stresses (orbital recession and diurnal tides) superimposed on stresses from global contraction result in non-isotropic compressional stress and thrust faults consistent with lobate scarp orientations. Stresses due to orbital recession do not change with orbital position, thus it is with the addition of diurnal stresses that peak stresses are reached. At apogee, diurnal and recession stresses are most compressive near the tidal axis, while at perigee they are most compressive 90 degrees away from the tidal axis. Coseismic slip events on currently active thrust faults are expected to be triggered when peak stresses are reached. Analysis of the timing of the 28 the shallow moonquakes recorded by the Apollo seismic network shows that 19 indeed occur when the Moon is closer to apogee, while only 9 shallow events occur when the Moon is closer to perigee. Here we show the results of relocating the shallow moonquake using an algorithm designed for sparse networks to better constrain their epicentral locations in order to compare them with stress models. The model for the current stress state of the Moon is refined by investigating the contribution of polar wander.

siesmology↗

DOE OSTI2020

Physics-guided machine learning approaches to predict the ideal stability properties of fusion plasmas

One of the biggest challenges to achieve the goal of producing fusion energy in tokamak devices is the necessity of avoiding disruptions of the plasma current due to instabilities. The disruption event characterization and forecasting (DECAF) framework has been developed in this purpose, integrating physics models of many causal events that can lead to a disruption. Two different machine learning approaches are proposed to improve the ideal magnetohydrodynamic (MHD) no-wall limit component of the kinetic stability model included in DECAF. First, a random forest regressor (RFR), was adopted to reproduce the DCON computed change in plasma potential energy without wall effects for a large database of equilibria from the national spherical torus experiment (NSTX). This tree-based method provides an analysis of the importance of each input feature, giving an insight into the underlying physics phenomena. Secondly, a fully-connected neural network has been trained on sets of calculations with the DCON code, to get an improved closed form equation of the no-wall β limit as a function of the relevant plasma parameters indicated by the RFR. The neural network has been guided by physics theory of ideal MHD in its extension outside the domain of the NSTX experimental data. The estimated value has been incorporated into the DECAF kinetic stability model and tested against a set of experimentally stable and unstable discharges. Moreover, the neural network results were used to simulate a real-time stability assessment using only quantities available in real-time. Finally, the portability of the model was investigated, showing encouraging results by testing the NSTX-trained algorithm on the mega ampere spherical tokamak (MAST).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Tensor Network Quantum Virtual Machine for Simulating Quantum Circuits at Exascale

The numerical simulation of quantum circuits is an indispensable tool for development, verification, and validation of hybrid quantum-classical algorithms intended for near-term quantum co-processors. The emergence of exascale high-performance computing (HPC) platforms presents new opportunities for pushing the boundaries of quantum circuit simulation. Here, we present a modernized version of the Tensor Network Quantum Virtual Machine (TNQVM) that serves as the quantum circuit simulation backend in the eXtreme-scale ACCelerator (XACC) framework. The new version is based on the scalable tensor network processing library ExaTN (Exascale Tensor Networks). It provides multiple configurable quantum circuit simulators that perform either an exact quantum circuit simulation via the full tensor network contraction or an approximate simulation via a suitably chosen tensor factorization scheme. Upon necessity, stochastic noise modeling from real quantum processors is incorporated into the simulations by modeling quantum channels with Kraus tensors. By combining the portable XACC quantum programming frontend and the scalable ExaTN numerical processing backend, we introduce an end-to-end virtual quantum development environment that can scale from laptops to future exascale platforms. We report initial benchmarks of our framework, which include a demonstration of the distributed execution, incorporation of quantum decoherence models, and simulation of the random quantum circuits used for the certification of quantum supremacy on Google’s Sycamore superconducting architecture.

Nguyen, Thien↗

NASA NTRS1998

WSR-88D Cell Trends

This report documents the Applied Meteorology Unit's evaluation of the Cell Trends display as a tool for radar operators to use in their evaluation of storm cell strength. The objective of the evaluation is to assess the utility of the WSR-88D graphical Cell Trends display for local radar cell interpretation in support of the 45th Weather Squadron (45 WS), Spaceflight Meteorology Group (SMG), and National Weather Service (NWS) Melbourne (MLB) operational requirements. The analysis procedure was to identify each cell and track the maximum reflectivity, height of maximum reflectivity, storm top, storm base, hail and severe hail probability, cell-based Vertically Integrated Liquid (VIL) and core aspect ratio using WATADS Build 9.0 cell trends information. One problem noted in the analysis phase was that the Storm Cell Identification and Tracking (SCIT) algorithm had a difficult time tracking the small cells associated with the Florida weather regimes. The analysis indicated numerous occasions when a cell track would end or an existing cell would be give a new ID in the middle of its life cycle. This investigation has found that most cells, which produce hail or microburst events, have discernable Cell Trends signatures. Forecasters should monitor the PUP's Cell Trends display for cells that show rapid (1 scan) changes in both the heights of maximum reflectivity and cell-based VIEL. It is important to note that this a very limited data set (four case days). Fifty-two storm cells were analyzed during those four days. The above mentioned t=ds, increase in the two cell attributes for hail events and decrease in the two cell attributes for wind events were noted in most of the cells. The probability of detection was 88% for both events. The False Alarm Rate (FAR) was a 36% for hail events and a respectable 25% for microburst events. In addition the Heidke Skill Score (HSS) is 0.65 for hail events and 0.67 for microburst events. For random forecast the HSS is 0 and that a perfect score is 1.

Wheeler, Mark M.↗

NASA NTRS2012

Statistical Orbit Determination using the Particle Filter for Incorporating Non-Gaussian Uncertainties

The tracking of space objects requires frequent and accurate monitoring for collision avoidance. As even collision events with very low probability are important, accurate prediction of collisions require the representation of the full probability density function (PDF) of the random orbit state. Through representing the full PDF of the orbit state for orbit maintenance and collision avoidance, we can take advantage of the statistical information present in the heavy tailed distributions, more accurately representing the orbit states with low probability. The classical methods of orbit determination (i.e. Kalman Filter and its derivatives) provide state estimates based on only the second moments of the state and measurement errors that are captured by assuming a Gaussian distribution. Although the measurement errors can be accurately assumed to have a Gaussian distribution, errors with a non-Gaussian distribution could arise during propagation between observations. Moreover, unmodeled dynamics in the orbit model could introduce non-Gaussian errors into the process noise. A Particle Filter (PF) is proposed as a nonlinear filtering technique that is capable of propagating and estimating a more complete representation of the state distribution as an accurate approximation of a full PDF. The PF uses Monte Carlo runs to generate particles that approximate the full PDF representation. The PF is applied in the estimation and propagation of a highly eccentric orbit and the results are compared to the Extended Kalman Filter and Splitting Gaussian Mixture algorithms to demonstrate its proficiency.

Mashiku, Alinda↗

DOE OSTI2021

Qutrit Randomized Benchmarking

Ternary quantum processors offer significant potential computational advantages over conventional qubit technologies, leveraging the encoding and processing of quantum information in qutrits (three-level systems). Therefore, to evaluate and compare the performance of such emerging quantum hardware it is essential to have robust benchmarking methods suitable for a higher-dimensional Hilbert space. We demonstrate extensions of industry standard randomized benchmarking (RB) protocols, developed and used extensively for qubits, suitable for ternary quantum logic. Using a superconducting five-qutrit processor, we find an average single-qutrit process infidelity of 3.8×10 -3 . Through interleaved RB, we characterize a few relevant gates, and employ simultaneous RB to fully characterize crosstalk errors. Finally, we apply cycle benchmarking to a two-qutrit CSUM gate and obtain a two-qutrit process fidelity of 0.85. Our results present and demonstrate RB-based tools to characterize the performance of a qutrit processor, and a general approach to diagnose control errors in future qudit hardware.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2006

Radiative Effect of Clouds on Tropospheric Chemistry in a Global Three-Dimensional Chemical Transport Model

Clouds exert an important influence on tropospheric photochemistry through modification of solar radiation that determines photolysis frequencies (J-values). We assess the radiative effect of clouds on photolysis frequencies and key oxidants in the troposphere with a global three-dimensional (3-D) chemical transport model (GEOS-CHEM) driven by assimilated meteorological observations from the Goddard Earth Observing System data assimilation system (GEOS DAS) at the NASA Global Modeling and Assimilation Office (GMAO). We focus on the year of 2001 with the GEOS-3 meteorological observations. Photolysis frequencies are calculated using the Fast-J radiative transfer algorithm. The GEOS-3 global cloud optical depth and cloud fraction are evaluated and generally consistent with the satellite retrieval products from the Moderate Resolution Imaging Spectroradiometer (MODIS) and the International Satellite Cloud Climatology Project (ISCCP). Results using the linear assumption, which assumes linear scaling of cloud optical depth with cloud fraction in a grid box, show global mean OH concentrations generally increase by less than 6% because of the radiative effect of clouds. The OH distribution shows much larger changes (with maximum decrease of approx.20% near the surface), reflecting the opposite effects of enhanced (weakened) photochemistry above (below) clouds. The global mean photolysis frequencies for J[O1D] and J[NO2] in the troposphere change by less than 5% because of clouds; global mean O3 concentrations in the troposphere increase by less than 5%. This study shows tropical upper tropospheric O3 to be less sensitive to the radiative effect of clouds than previously reported (approx.5% versus approx.20-30%). These results emphasize that the dominant effect of clouds is to influence the vertical redistribution of the intensity of photochemical activity while global average effects remain modest, again contrasting with previous studies. Differing vertical distributions of clouds may explain part, but not the majority, of these discrepancies between models. Using an approximate random overlap or a maximum-random overlap scheme to take account of the effect of cloud overlap in the vertical reduces the impact of clouds on photochemistry but does not significantly change our results with respect to the modest global average effect.

Liu, Hongyu↗