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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 55 records · Page 3

The inference of tropical cyclone dynamics using GOES VISSR/VAS data

The sequence of events observed during tropical cyclone Emily, was suggested as a possible mechanism for cyclogenesis. Geostationary Operational Environmental Satellite (GOES) East VISSR/VAS sensors were used. The VISSR visible imagery obtained every 15 minutes was used to define the low tropospheric cyclonic vortex and upper tropospheric horizontal convergence. The VAS water vapor (channels 9 and 10) and carbon dioxide (channels 3 and 4) channels were used to infer upper and middle tropospheric subsidence by monitoring the Adiabatic compressional drying and warming, respectively, occurring within this layer. Evidence of an existing lower tropospheric cyclonic vortex was seen. The satellite derived wind vectors (length of vector is proportional to wind velocity, where the strongest winds were approximately 35 knots) are superimposed on the GOES visible image of tropical storm Emily. Vectors and low level clouds depict the center of the cyclonic vortex immediately south of the large convective cell in the center of the image. Upper tropospheric cloud tracers and rawinsonde reports along the Eastern United States suggest that the southwesterly environmental upper atmospheric flow is converging with the outflow from the convective cell north of the vortex.

Rodgers, E. B.↗

Influences of Local Sea-Surface Temperatures and Large-scale Dynamics on Monthly Precipitation Inferred from Two 10-year GCM-Simulations

Two parallel sets of 10-year long: January 1, 1982 to December 31, 1991, simulations were made with the finite volume General Circulation Model (fvGCM) in which the model integrations were forced with prescribed sea-surface temperature fields (SSTs) available as two separate SST-datasets. One dataset contained naturally varying monthly SSTs for the chosen period, and the oth& had the 12-monthly mean SSTs for the same period. Plots of evaporation, precipitation, and atmosphere-column moisture convergence, binned by l C SST intervals show that except for the tropics, the precipitation is more strongly constrained by large-scale dynamics as opposed to local SST. Binning data by SST naturally provided an ensemble average of data contributed from disparate locations with same SST; such averages could be expected to mitigate all location related influences. However, the plots revealed: i) evaporation, vertical velocity, and precipitation are very robust and remarkably similar for each of the two simulations and even for the data from 1987-ENSO-year simulation; ii) while the evaporation increased monotonically with SST up to about 27 C, the precipitation did not; iii) precipitation correlated much better with the column vertical velocity as opposed to SST suggesting that the influence of dynamical circulation including non-local SSTs is stronger than local-SSTs. The precipitation fields were doubly binned with respect to SST and boundary-layer mass and/or moisture convergence. The analysis discerned the rate of change of precipitation with local SST as a sum of partial derivative of precipitation with local SST plus partial derivative of precipitation with boundary layer moisture convergence multiplied by the rate of change of boundary-layer moisture convergence with SST (see Eqn. 3 of Section 4.5). This analysis is mathematically rigorous as well as provides a quantitative measure of the influence of local SST on the local precipitation. The results were recast to examine the dependence of local rainfall on local SSTs; it was discernible only in the tropics. Our methodology can be used for computing relationship between any forcing function and its effect(s) on a chosen field.

Sud, Y. C.↗

Inferences on the Emplacement Dynamics of Martian Impact Crater Ejecta: Constraints from Mola Topography

Lobate ejecta deposits surround many of the younger impact craters on Mars. Viking Orbiter images indicate the distal parts of the ejecta blankets of these lobate craters are characterized by ramparts. In the absence of detailed topographic data for characterizing the topology of these apparently fluidized ejecta deposits, physical models have relied upon their morphologic characteristics. The most widely accepted model for the formation of such rampart ejecta deposits on Mars invokes fluidization of the ejecta to produce one or more viscous flow lobes. The availability of high-precision topographic data from the Mars Orbiter Laser Altimeter [4,51 facilitates a more quantitative examination of the physical processes involved in the formation of rampart ejecta deposits on Mars. Here we investigate the emplacement constraints that can be developed from the dimensions, topography, and morphology of martian rampart craters. The primary assumptions we have adopted are: (1) the ejecta blanket is emplaced as a continuum flow over the martian surface, rather than an airfall deposit, and (2) that the observable dimensions of the deposits are indicative of flow dimensions during emplacement.

Garvin, J. B.↗

Time Series Surface Temperature of Variably Inundated Sediment across 30 North American Rivers

This dataset supports a broader study examining drivers of organic matter chemistry in variably inundated hyporheic zone sediments and further linking that chemistry to biogeochemical rates. The dataset provides surficial temperature time series that can be used to infer the dynamics of inundation prior to the collection of sediments. Those inferred inundation histories can then be used to help interpret variation in the organic matter chemistry. There are related data that will be published, such as FTICR-MS data on organic matter chemistry and sediment moisture. A data package with those data is forthcoming.This dataset is comprised of two folders: (1) ECA1_iButtonData and (2) ECA1_SitePhotos. The ECA1_iButtonData folder contains: (1) file-level metadata, (2) data dictionary, (3) field metadata, (4) installation methods, (5) iButton deployment protocol, (6) readme, and (7) folder of individual time series temperature csv files for each iButton sensor deployed. The ECA1_SitePhotos folder contains site photographs taken in the field. All files are .csv, .txt, .pdf, or .jpg.

54 ENVIRONMENTAL SCIENCES↗

Inference-Engine v0.1.0

Given a pre-trained neural network, Inference-Engine performs maps network inputs to outputs by executing the forward pass through the provided network. Although the predominant programming language for machine-learning is Python, most high-performance computing (HPC) applications are written in Fortran, C, or C++. Inference-Engine aims to support HPC programs and is written in Fortran, a language with a large feature set supporting interoperability with C. This software exposes concurrency in a portable way by using standard language features that some modern Fortran compilers can exploit with various optimizations, including offloading computation to a Graphics Processing Unit (GPU). In particular, this software makes extensive use of Fortran's "do concurrent" parallel loop construct, implicitly parallel array statements, and pure procedures that can be invoked inside "do concurrent" blocks. Inference-Engine also supports dynamic choice of inference methods at runtime. Two current options include one method that uses Fortran's "dot_product" intrinsic function inside "do concurrent" blocks and another method that instead uses Fortran' "matmul" array intrinsic function. We plan to investigate automatic compiler offloading of "do concurrent" calculations to GPUs and compile-time substitution of optimized libraries such as the Basic Linear Algebra Library (BLAS) for "matmul" invocations. We also envision the potential for the choice of which method to use could happen at program launch based on in situ performance measurements on any given platform.

Rouson, Damian↗

Dynamic Medical Risk Assessment Supported by Inference Networks

The Human Research Program's next generation risk model, the Medical Extensible Dynamic Probabilistic Risk Assessment Tool (MEDPRAT), provides researchers with estimates of astronaut medical and health risk. MEDPRATs Susceptibility Inference Network (SIN) facilitates the dynamic component of this tool. The SIN provides MEDPRAT with a "memory" that allows the system to use knowledge of what simulation events have occurred to alter the representative probability that future simulation events will occur during a given trial. The SIN allows for the medical events being simulated to be related to, and influence the likelihood of one another, providing a more robust risk estimate. We present initial work of our efforts to mathematically quantify and represent these dependent relationships between medical events.

McIntyre, L.↗

Semi-Analytical Hierarchical Bayesian Inference of Nonlinear Model Structure in Stochastic Dynamics: Applied to Compartmental Models of Infectious Diseases

A Bayesian computational framework for parsimonious inference in stochastic nonlinear dynamical systems is presented. This framework enables the concurrent estimation of system states, time-varying parameters, time-invariant parameters, and the optimal sparsity structure of the model parameters. Because differential equation-based models are often simplified mechanistic or phenomenological representations, robust inference from noisy measurement data requires explicit treatment of model error and uncertainty. Model error and time-varying parameters can be represented as random processes, enabling inference while making minimal assumptions about the underlying sources of discrepancy and variability. Adopting stochastic differential equation representations affords the model significant flexibility, but can also render it susceptible to overfitting during statistical inversion, where the inferred model may track noise rather than the underlying signal. To alleviate the effects of overfitting and to enable the discovery of the optimal sparse representation of the time-invariant parameters, a Bayesian sparse learning algorithm is embedded within the framework. This sparse learning framework adopts an approximate hierarchical Bayesian setting defined by a series of semi-analytical expressions. The model structure inference framework is validated using a stochastic compartmental model for tracking and forecasting active cases of an infectious disease. Compartmental models describe population-level infectious disease dynamics through interactions among population fractions grouped by disease state. Mathematically, such models consist of a system of coupled ordinary differential equations. This example adopts an expressive compartmental model that includes multiple possible interactions between disease states, motivated by early uncertainty surrounding COVID-19 reinfection dynamics and their implications for long-term epidemic forecasting. The sparse learning exercise permits the inference of a priori unknown epidemiological dynamics from simulated public health data, discovering the nested compartmental model that optimizes the trade-off between average data-fit and model complexity. It is shown that inducing sparsity among the model parameters eliminates redundant interactions between compartments, equivalently revealing the optimal coupling structure between differential equations.

97 MATHEMATICS AND COMPUTING↗

The Geometry of Resonant Signatures in Debris Disks with Planets

Using simple geometrical arguments, we paint an overview of the variety of resonant structures a single planet with moderate eccentricity (e<approx.0.6) can create in a dynamically cold, optically thin dust disk. This overview may serve as a key for interpreting images of perturbed debris disks and inferring the dynamical properties of the planets responsible for the perturbations. We compare the resonant geometries found in the solar system dust cloud with observations of dust clouds around Vega, Epsilon Eridani, and Fomalhaut.

Kuchner, Marc J.↗

Physics-Informed Machine Learning of Dynamical Systems for Efficient Bayesian Inference

Although the no-u-turn sampler (NUTS) is a widely adopted method for performing Bayesian inference, it requires numerous posterior gradients which can be expensive to compute in practice. Recently, there has been a significant interest in physics-based machine learning of dynamical (or Hamiltonian) systems and Hamiltonian neural networks (HNNs) is a noteworthy architecture. But these types of architectures have not been applied to solve Bayesian inference problems efficiently. We propose the use of HNNs for performing Bayesian inference efficiently without requiring numerous posterior gradients. We introduce latent variable outputs to HNNs (L-HNNs) for improved expressivity and reduced integration errors. We integrate L-HNNs in NUTS and further propose an online error monitoring scheme to prevent sampling degeneracy in regions where L-HNNs may have little training data. We demonstrate L-HNNs in NUTS with online error monitoring consider several complex high-dimensional posterior densities and compare its performance to NUTS.

97 MATHEMATICS AND COMPUTING↗

Deep learning of dynamically responsive chemical Hamiltonians with semiempirical quantum mechanics

Conventional machine-learning (ML) models in computational chemistry learn to directly predict molecular properties using quantum chemistry only for reference data. While these heuristic ML methods show quantum-level accuracy with speeds several orders of magnitude faster than traditional quantum chemistry methods, they suffer from poor extensibility and transferability; i.e., their accuracy degrades on large or new chemical systems. Incorporating quantum chemistry frameworks into the ML models directly solves this problem. Here we take the structure of semiempirical quantum mechanics (SEQM) methods to construct dynamically responsive Hamiltonians. SEQM methods use empirical parameters fitted to experimental properties to construct reduced-order Hamiltonians, facilitating much faster calculations than ab initio methods but with compromised accuracy. By replacing these static parameters with machine-learned dynamic values inferred from the local environment, we greatly improve the accuracy of the SEQM methods. Trained on molecular energies and atomic forces, these dynamically generated Hamiltonian parameters show a strong correlation with atomic hybridization and bonding. Trained with only about 60,000 small organic molecular conformers, the resulting model retains interpretability, extensibility, and transferability when testing on much larger chemical systems and predicting various molecular properties. Overall, this work demonstrates the virtues of incorporating physics-based descriptions with ML to develop models that are simultaneously accurate, transferable, and interpretable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

UV Spectropolarimetry with Polstar: Massive Star Binary Colliding Winds

The winds of massive stars are important for their direct impact on the interstellar medium, and for their influence on the final state of a star prior to it exploding as a supernova. However, the dynamics of these winds is understood primarily via their illumination from a single central source. The Doppler shift seen in resonance lines is a useful tool for inferring these dynamics, but the mapping from that Doppler shift to the radial distance from the source is ambiguous. Binary systems can reduce this ambiguity by providing a second light source at a known radius in the wind, seen from orbitally modulated directions. From the nature of the collision between the winds, a massive companion also provides unique additional information about wind momentum fluxes. Since massive stars are strong ultraviolet (UV) sources, and UV resonance line opacity in the wind is strong, UV instruments with a high resolution spectroscopic capability are essential for extracting this dynamical information. Polarimetric capability also helps to further resolve ambiguities in aspects of the wind geometry that are not axisymmetric about the line of sight, because of its unique access to scattering direction information. We review how the proposed MIDEX-scale mission Polstar can use UV spectropolarimetric observations to critically constrain the physics of colliding winds, and hence radiatively-driven winds in general. We propose a sample of 20 binary targets, capitalizing on this unique combination of illumination by companion starlight, and collision with a companion wind, to probe wind attributes over a range in wind strengths. Of particular interest is the hypothesis that the radial distribution of the wind acceleration is altered significantly, when the radiative transfer within the winds becomes optically thick to resonance scattering in multiple overlapping UV lines.

Ultraviolet Astronomy↗

Inferring microbial interactions with their environment from genomic and metagenomic data

Microbial communities assemble through a complex set of interactions between microbes and their environment, and the resulting metabolic impact on the host ecosystem can be profound. Microbial activity is known to impact human health, plant growth, water quality, and soil carbon storage which has lead to the development of many approaches and products meant to manipulate the microbiome. In order to understand, predict, and improve microbial community engineering, genome-scale modeling techniques have been developed to translate genomic data into inferred microbial dynamics. However, these techniques rely heavily on simulation to draw conclusions which may vary with unknown parameters or initial conditions, rather than more robust qualitative analysis. To better understand microbial community dynamics using genome-scale modeling, we provide a tool to investigate the network of interactions between microbes and environmental metabolites over time. Using our previously developed algorithm for simulating microbial communities from genome-scale metabolic models (GSMs), we infer the set of microbe-metabolite interactions within a microbial community in a particular environment. Because these interactions depend on the available environmental metabolites, we refer to the networks that we infer as metabolically contextualized , and so name our tool MetConSIN: Met abolically Con textualized S pecies I nteraction N etworks.

59 BASIC BIOLOGICAL SCIENCES↗

Theory of x-ray photon correlation spectroscopy for multiscale flows

Complex multiscale flows associated with instabilities and turbulence are commonly induced under high-energy density (HED) conditions, but accurate measurement of their transport properties has been challenging. X-ray photon correlation spectroscopy (XPCS) with coherent x-ray sources can, in principle, probe material dynamics to infer transport properties using time autocorrelation of density fluctuations. Here we develop a theoretical framework for utilizing XPCS to study material diffusivity in multiscale flows. We extend single-scale shear flow theories to broadband flows using a multiscale analysis that captures shear and diffusion dynamics. Our theory is validated with simulated XPCS for Brownian particles advected in multiscale flows. We demonstrate the versatility of the method over several orders of magnitude in timescale using sequential-pulse XPCS, single-pulse x-ray speckle visibility spectroscopy (XSVS), and double-pulse XSVS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Mars Exploration Rovers as Virtual Instruments for Determination of Terrain Roughness and Physical Properties

The two 2003 Mars Exploration Rovers (MERs), in combination with the Athena Payload, will be used as virtual instrument systems to infer terrain properties during traverses, in addition to using the rover wheels to excavate trenches, exposing subsurface materials for remote and in-situ observations. The MERs are being modeled using finite element-based rover system transfer functions that utilize the distribution of masses associated with the vehicle, together with suspension and wheel dynamics, to infer surface roughness and mechanical properties from traverse time series data containing vehicle yaw, pitch, roll, encoder counts, and motor currents. These analyses will be supplemented with imaging and other Athena Payload measurements. The approach is being validated using Sojourner data, the FIDO rover, and experiments with MER testbed vehicles. In addition to conducting traverse science and associated analyses, trenches will be excavated by the MERs to depths of approximately 10-20 cm by locking all but one of the front wheels and rotating that wheel backwards so that the excavated material is piled up on the side of the trench away from the vehicle. Soil cohesion and angle of internal friction will be determined from the trench telemetry data. Emission spectroscopy and in-situ observations will be made using the Athena payload before and after imaging. Trenching and observational protocols have been developed using Sojourner results; data from the FIDO rover, including trenches dug into sand, mud cracks, and weakly indurated bedrock; and experiments with MER testbed rovers. Particular attention will be focused on Mini-TES measurements designed to determine the abundance and state of subsurface water (e.g. hydrated, in zeolites, residual pore ice?) predicted to be present from Odyssey GRS/NS/HEND data.

R E Arvidson↗

Empirical Dynamic Modeling Reveals Complexity of Methane Fluxes in a Temperate Salt Marsh

Abstract Methane dynamics within salt marshes are complex because vegetation types, temperature, oscillating water levels, and changes in salinity and redox conditions influence CH 4 production, consumption, oxidation, and emissions. These non‐linear and complex interactions among variables affect the traditionally expected functional relationships and present challenges for interpreting and developing process‐based models. We employed empirical dynamic modeling (EDM) and convergent cross mapping (CCM) as a novel approach for characterizing seasonal/multiday and diurnal CH 4 dynamics by inferring causal variables, lags, and interconnections among multiple biophysical variables within a temperate salt marsh using 5 years of eddy covariance data. EDM/CCM is a nonparametric approach capable of quantifying the coupling between variables while determining time scales where variable interactions are the most relevant. We found that gross primary productivity, tidal creek dissolved oxygen, and temperature were important for seasonal/multiday dynamics (rho = 0.73–0.80), while water level was most important for diurnal dynamics during both the growing and dormancy phenoperiods (rho = 0.72 and 0.56, respectively). Lags for the top‐ranked variables (i.e., gross primary productivity, dissolved oxygen, temperature, water level) occurred between 1 and 5 weeks at the seasonal scale and 1–24 hr at the diurnal scale. The EDM had high prediction capabilities for intra‐/inter‐seasonal patterns and annual CH 4 sums but had limitations in representing large, infrequent fluxes. Results highlight the importance of non‐linearity, drivers, lag times, and interconnections among multiple biophysical variables that regulate CH 4 fluxes in tidal wetlands. This research introduces a novel approach to examining CH 4 fluxes, which will aid in evaluating current paradigms in wetlands and other ecosystems.

Environmental Sciences & Ecology↗

Phase-Slip Lines and Anomalous Josephson Effects in Tungsten Nanoscale Cluster-Based Topological Insulator Nanobridges: Implications for Topologically Protected Qubits and Quantum Sensors

Superconducting topological systems formed by a strong 3D topological insulator (TI) in proximity to a conventional s-wave superconductor (SC) have been intensely studied, as they may host Majorana zero modes. However, there are limited experimental realizations of TI-SC systems in which robust superconducting pairing is induced on the surface states of the TI and a topological superconducting state is established. Here, we fabricate a TI-SC system by depositing, via a focused ion beam, tungsten (W) nanoscale clusters on the surface of TI Bi 0.91 Sb 0.09 . We find that the resulting heterostructure supports phase-slip lines (PSLs) that act as effective Josephson junctions (JJs). Here, we probe the response of the system to microwave radiation. We find that for some ac frequencies, and powers, the resulting Shapiro steps’ structure of the voltage–current characteristic exhibits a missing first step and an unexpectedly wide second Shapiro step. The theoretical analysis of the measurements shows that the unusual Shapiro response arises from the interplay between a static JJ and a dynamic one and allows us to identify the conditions under which the missing first step can be attributed to the topological nature of the JJs formed by the PSLs. Our results suggest an approach to induce superconductivity in a TI, a route to realizing highly transparent topological JJs, and show how the response of superconducting systems to microwave radiation can be used to infer the dynamics of PSLs. Highly transparent topological junctions are promising candidates to realize vector field sensors with very high sensitivity. In addition, due to the nontrivial Berry phase of the TI’s surface states such junctions can be in a topological state which is ideal to create topologically protected qubits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Calculated viscosity-distance dependence for some actively flowing lavas

The importance of viscosity as a gauge of the various energy and momentum dissipation regimes of lava flows has been realized for a long time. Nevertheless, despite its central role in lava dynamics and kinematics, it remains among the most difficult of flow physical properties to measure in situ during an eruption. Attempts at reconstructing the actual emplacement viscosities of lava flows from their solidified topographic form are difficult. Where data are available on the position of an advancing flow front as a function of time, it is possible to calculate the effective viscosity of the front as a function of distance from the vent, under the assumptions of a steady state regime. As an application and test of an equation given, relevant parameters from five recent flows on Mauna Loa and Kilauea were utilized to infer the dynamic structure of their aggregate flow front viscosity as they advanced, up to cessation. The observed form of the viscosity-distance relation for the five active Hawaiian flows examined appears to be exponential, with a rapid increase just before the flows stopped as one would expect.

Pieri, David↗

The weathered bedrock vadose zone: A hidden control on water availability in the western United States (Final Technical Report)

This report summarizes the research completed during the project entitled "The weathered bedrock vadose zone: A hidden control on water availability in the western United States" (Award: DE-SC0018039). The report covers work completed between 9/15/17 and 9/14/20. The objective of the exploratory project work was to evaluate the overarching hypothesis that the subsurface underlying actively eroding landscapes is systematically structured as a result of a balance between weathering and erosion and that this structure leads to dynamic moisture storage within weathered rock. To accomplish project objectives, we characterized hillslope weathering profile structure and conducted subsurface moisture monitoring across four study sites with comparable bedrock types but differing erosion rate and hydroclimate: The Angelo Coast Range Reserve (ACRR), Sagehorn-Russell Ranch (SRR), Antelope Valley Ranch (AVR), and the LBNL Watershed Function Scientific Focus Area (SFA). New characterization and monitoring infrastructure at the AVR and SFA sites was established through this project and enables long-term monitoring of hydrologic and carbon fluxes at the sites for comparison with long-term monitoring in other sites. Deep drilling, downhole logging, and characterization of chemistry and porosity of rock recovered from drilling reveals two weathering fronts across the sites. A shallower front is marked by the extent of pervasive fracturing and oxidation of pyrite and organic carbon. A deeper weathering front is marked by the appearance of open fractures and discoloration. At the AVR site, multiple ridge tops of different hillslope length were investigated to establish the relationship between the weathering front and topography. Drilling reveals that the fraction of the hillslope relief that is weathered scales with hillslope length, consistent with the theoretical framework that guided the project relating groundwater drainage with landscape evolution. With the establishment of new boreholes, we have documented significant water storage in weathered bedrock using low-field borehole nuclear magnetic resonance (NMR) across all four sites. In the upper 4 m of bedrock, the average water contents at ACRR, AVR, SRR, and SFA are approximately 25%, 16%, 25%, 23% respectively. At the ACRR site, where long-term monitoring via neutron probe surveys and time-domain transmission sensors are available, we have demonstrated that NMR reliably records moisture content and importantly, moisture content dynamics in weathered bedrock. Across all sites, our NMR monitoring has also revealed that a considerable fraction of the water storage occurs in fractures or pores that are significantly larger than the fine-grained bedrock matrix of the parent rock. To identify the proportion of water storage occurring in fractures and large pores, we analyzed the NMR signal by evaluating both the sum of echoes and an inversion of the NMR signal for a distribution of T2 relaxation times. Both methods reveal that at least 20% of the water storage occurs in fractures and larger pores across all sites. To constrain the interpretation of the in-situ field-scale NMR measurements, we compare the NMR response in the field to independent pore-structure information obtained via helium pycnometry. Results support the inference that dynamic seasonal water storage is dominantly restricted to the fracture network, which can reach 7% of the total volume. This dynamic range in water content is comparable to that of some soils, underscoring the need to understand how this region of the Earth System is structured, and functions as a hydrologic reservoir.

58 GEOSCIENCES↗