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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 19 records

Unconventional compute methods and future challenges for superconducting digital computing

Superconducting digital computing (SDC) based on Josephson junctions (JJs) offers significant potential for enhancing compute throughput and reducing energy consumption compared to conventional room-temperature CMOS-based approaches. Current superconducting logic families exhibit diverse characteristics in clocking strategies, power management, and information encoding techniques. This paper reviews recent advancements in unconventional computing methods specifically designed for superconducting digital circuits, emphasizing temporal computing and pulse-train representations. Notable techniques include race logic (RL), temporal pulse train computing (U-SFQ), and temporal multipliers, each offering unique performance and area advantages suited to superconducting implementations. Additionally, this paper reviews innovations in superconducting coarse-grain reconfigurable architectures (CGRA), superconducting-specific on-chip communication architectures, cryogenic sensor interfaces, and quantum computing control electronics. Finally, we highlight research challenges that should be addressed to facilitate the widespread adoption of superconducting digital computing.

EDA tools↗

Temporal Analysis Of Product Computational Methods

The temporal analysis of products (TAP) reactor provides a wealth of data for transient studies of gas phase heterogeneous reactions, with the ability to provide a comprehensive picture of intrinsic reaction kinetics pertaining to complex catalytic mechanisms. A novel framework called the Y-Procedure was previously developed by Yablonsky and coworkers to extract information from this non-steady-state kinetic data. The Y-Procedure reconstructs the chemical transformation rate and gas composition in the catalytic zone with no a priori assumptions on the kinetic model and is used to relate changes in catalytic reaction rates and kinetic parameters to changes in a catalyst’s surface composition. This code provides the required steps to pre-process, analyze, and perform the Y-Procedure on experiments derived from the TAP reactor.

Kunz, Matthew R.↗

Building a Prospective LCA Framework to Analyze Emerging Technologies in a Dynamic System Context

NREL's Lifecycle Analysis Integration into Opensource Numerical models (LiAISON) framework computes temporally explicit life cycle impacts and resource uses for specific technologies (foreground) in a dynamic system context (background). LiAISON computes results for a series of environmental mid-points enabling an analysis of prospective tradeoffs of emerging technologies toward 2100. This prospective feature is of critical importance when analyzing present-day emerging technologies whose large-scale impacts during deployment phases will occur in different, future system contexts. LiAISON systematically accounts for dynamic system changes by applying an integrated background of the future energy-economy-land-climate system, generated by exogenous integrated assessment models (IAMs). Using IAM scenarios, LiAISON generates a time-series of life cycle inventory (LCI) databases, which are then used to calculate the impacts per functional unit per time step. This expands current practice of using static, future system assumptions, e.g., a specific grid-mix each year. Further, IAM scenarios are provided in a standardized format of shared-socioeconomic pathways (SSP) and representative concentration pathways (RCP) combinations. These are coherent, regularly, published, and peer-reviewed scenario combinations that establish a reproducible and standardized societal and climate mitigation futures context. They are comparable across IAMs and expand the system boundary of the traditional LCA by including dimensions such as societal and behavioral changes. We apply the framework to assess two emerging Power-to-Hydrogen processes, high temperature electrolysis using solid oxide fuel cell (HT-SOE) and polymer electrolyte membrane electrolysis (PEME). We compare the technologies to a baseline Hydrogen production process via steam methane reforming. Despite the decarbonized electricity systems' beneficial effects on the PtH2 processes' carbon intensities, we find environmental tradeoffs, which require technology improvements via learning-by-doing to be alleviated. Future work via ongoing collaborations will focus on linking the framework to other energy-economy-land-climate models and open-source life cycle inventory databases.

ENERGY PLANNING, POLICY, AND ECONOMY↗

Parallel-in-time quantum simulation via Page and Wootters quantum time

In the past few decades, researchers have created a veritable zoo of quantum algorithms by drawing inspiration from classical computing, information theory, and even from physical phenomena. Here, we present quantum algorithms for parallel-in-time simulations that are inspired by the Page and Wootters formalism. In this framework, and thus in our algorithms, the classical time variable of quantum mechanics is promoted to the quantum realm by introducing a Hilbert space of “clock” qubits that are then entangled with the “system” qubits. We show that our algorithms can compute temporal properties over 𝑁 different times of many-body systems by only using log⁡(𝑁) clock qubits. As such, we achieve an exponential trade-off between time and spatial complexities. In addition, we rigorously prove that the entanglement created between the system qubits and the clock qubits has operational meaning, as it encodes valuable information about the system’s dynamics. We also provide a circuit depth estimation of all the protocols, showing a running time advantage in computation times over traditional sequential-in-time algorithms. In particular, for the case when the dynamics are determined by the Aubry-Andre model, we present a hybrid method for which our algorithms have a depth that only scales as 𝒪⁡(log⁡(𝑁)⁢𝑛). As a by-product, we can relate the previous schemes to the problem of equilibration of an isolated quantum system, thus indicating that our framework enables a new dimension for studying dynamical properties of many-body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Predicting nonequilibrium Green’s function dynamics and photoemission spectra via nonlinear integral operator learning

Understanding the dynamics of nonequilibrium quantum many-body systems is an important research topic in a wide range of fields across condensed matter physics, quantum optics, and high-energy physics. However, numerical studies of large-scale nonequilibrium phenomena in realistic materials face serious challenges due to intrinsic high-dimensionality of quantum many-body problems and the absence of time-invariance. The nonequilibrium properties of many-body systems can be described by the dynamics of the correlator, or the Green's function of the system, whose time evolution is given by a high-dimensional system of integro-differential equations, known as the Kadanoff–Baym equations (KBEs). The time-convolution term in KBEs, which needs to be recalculated at each time step, makes it difficult to perform long-time numerical simulation. In this paper, we develop an operator-learning framework based on recurrent neural networks (RNNs) to address this challenge. We utilize RNNs to learn the nonlinear mapping between Green's functions and convolution integrals in KBEs. By using the learned operators as a surrogate model in the KBE solver, we obtain a general machine-learning scheme for predicting the dynamics of nonequilibrium Green's functions. Besides significant savings per each time step, the new methodology reduces the temporal computational complexity from $O(N_t^3)$ to $O(N_t)$ where N t is the number of steps taken in a simulation, thereby making it possible to study large many-body problems which are currently infeasible with conventional KBE solvers. Through various numerical examples, we demonstrate the effectiveness of the operator-learning based approach in providing accurate predictions of physical observables such as the reduced density matrix and time-resolved photoemission spectra. Moreover, our framework exhibits clear numerical convergence and can be easily parallelized, thereby facilitating many possible further developments and applications.

97 MATHEMATICS AND COMPUTING↗

Reference pressure changes and available potential energy in isobaric coordinates

A formulation of the available potential energy (APE) equation in isobaric coordinates which alleviates the need for computing temporal derivatives of reference pressure and describes how work done relates to changes in the APE of a limited region is presented. The APE budget equation possesses terms analogous to those in Johnson's (1970) isentropic version. It is shown that APE changes result from either mechanical work inside the domain or an exchange of energy via boundary processes with the surrounding environment.

Robertson, F. R.↗

Outputs of paired Gabor filters summed across the background frame of reference predict the direction of movement

A cortical neural network that computes the visibility of shifts in the direction of movement is proposed. The network computes: (1) the magnitude of the position difference between the test and background patterns, (2) localized contrast differences at different spatial scales analyzed by computing temporal gradients of the difference and sum of the outputs of paired even- and odd-symmetric bandpass filters convolved with the input pattern, and (3) using global processes that pool the output from paired even- and odd-symmetric simple and complex cells across the spatial extent of the background frame of reference the direction a test pattern moved relative to a textured background. Evidence that magnocellular pathways are used to discriminate the direction of movement is presented. Since magnocellular pathways are used to discriminate the direction of movement, this task is not affected by small pattern changes such as jitter, short presentations, blurring, and different background contrasts that result when the veiling illumination in a scene changes.

Lawton, Teri B.↗

Method and apparatus for predicting the direction of movement in machine vision

A computer-simulated cortical network is presented. The network is capable of computing the visibility of shifts in the direction of movement. Additionally, the network can compute the following: (1) the magnitude of the position difference between the test and background patterns; (2) localized contrast differences at different spatial scales analyzed by computing temporal gradients of the difference and sum of the outputs of paired even- and odd-symmetric bandpass filters convolved with the input pattern; and (3) the direction of a test pattern moved relative to a textured background. The direction of movement of an object in the field of view of a robotic vision system is detected in accordance with nonlinear Gabor function algorithms. The movement of objects relative to their background is used to infer the 3-dimensional structure and motion of object surfaces.

Lawton, Teri B.↗

Simulations of OSIRIS-REx Atmospheric Entry for Comparisons with Data from the Imaging Campaign

Results from pre-flight flow and radiation simulations for the OSIRIS-REx Sample Return Capsule along a candidate entry trajectory are presented. These results are from pre-flight simulations in support of the observation campaign. Details of the methodology for computing temporal variation of spectral irradiance on an instrument onboard an aerial observation platform are presented along with a sampling of results. An attempt is made to use the methodology presented to assess the level of elemental sodium in the shock layer. The final paper will be based on the actual flight trajectory and will include comparisons of predictions with calibrated spectrometric data.

Spectrometric Imaging↗

Computational Issues Associated with Temporally Deforming Geometries Such as Thrust Vectoring Nozzles

During the past decade, computational simulation of fluid flow around complex configurations has progressed significantly and many notable successes have been reported, however, unsteady time-dependent solutions are not easily obtainable. The present effort involves unsteady time dependent simulation of temporally deforming geometries. Grid generation for a complex configuration can be a time consuming process and temporally varying geometries necessitate the regeneration of such grids for every time step. Traditional grid generation techniques have been tried and demonstrated to be inadequate to such simulations. Non-Uniform Rational B-splines (NURBS) based techniques provide a compact and accurate representation of the geometry. This definition can be coupled with a distribution mesh for a user defined spacing. The present method greatly reduces cpu requirements for time dependent remeshing, facilitating the simulation of more complex unsteady problems. A thrust vectoring nozzle has been chosen to demonstrate the capability as it is of current interest in the aerospace industry for better maneuverability of fighter aircraft in close combat and in post stall regimes. This current effort is the first step towards multidisciplinary design optimization which involves coupling the aerodynamic heat transfer and structural analysis techniques. Applications include simulation of temporally deforming bodies and aeroelastic problems.

Boyalakuntla, Kishore↗

Temporal plasma echoes.

Computer experiment on 9000 particle plasma to test temporal echo theoretical prediction

Baker, J. C.↗

An efficient temporal logic for robotic task planning

Computations required for temporal reasoning can be prohibitively expensive if fully general representations are used. Overly simple representations, such as totally ordered sequence of time points, are inadequate for use in a nonlinear task planning system. A middle ground is identified which is general enough to support a capable nonlinear task planner, but specialized enough that the system can support online task planning in real time. A Temporal Logic System (TLS) was developed during the Intelligent Task Automation (ITA) project to support robotic task planning. TLS is also used within the ITA system to support plan execution, monitoring, and exception handling.

Becker, Jeffrey M.↗

Climate Models

Climate models is a very broad topic, so a single volume can only offer a small sampling of relevant research activities. This volume of 14 chapters includes descriptions of a variety of modeling studies for a variety of geographic regions by an international roster of authors. The climate research community generally uses the rubric climate models to refer to organized sets of computer instructions that produce simulations of climate evolution. The code is based on physical relationships that describe the shared variability of meteorological parameters such as temperature, humidity, precipitation rate, circulation, radiation fluxes, etc. Three-dimensional climate models are integrated over time in order to compute the temporal and spatial variations of these parameters. Model domains can be global or regional and the horizontal and vertical resolutions of the computational grid vary from model to model. Considering the entire climate system requires accounting for interactions between solar insolation, atmospheric, oceanic and continental processes, the latter including land hydrology and vegetation. Model simulations may concentrate on one or more of these components, but the most sophisticated models will estimate the mutual interactions of all of these environments. Advances in computer technology have prompted investments in more complex model configurations that consider more phenomena interactions than were possible with yesterday s computers. However, not every attempt to add to the computational layers is rewarded by better model performance. Extensive research is required to test and document any advantages gained by greater sophistication in model formulation. One purpose for publishing climate model research results is to present purported advances for evaluation by the scientific community.

Druyan, Leonard M.↗

Separable physics-informed DeepONet: Breaking the curse of dimensionality in physics-informed machine learning

The deep operator network (DeepONet) has shown remarkable potential in solving partial differential equations (PDEs) by mapping between infinite-dimensional function spaces using labeled datasets. However, in scenarios lacking labeled data, the physics-informed DeepONet (PI-DeepONet) approach, which utilizes the residual loss of the governing PDE to optimize the network parameters, faces significant computational challenges, particularly due to the curse of dimensionality. This limitation has hindered its application to high-dimensional problems, making even standard 3D spatial with 1D temporal problems computationally prohibitive. Additionally, the computational requirement increases exponentially with the discretization density of the domain. Here, to address these challenges and enhance scalability for high-dimensional PDEs, we introduce the Separable physics-informed DeepONet (Sep-PI-DeepONet). This framework employs a factorization technique, utilizing sub-networks for individual one-dimensional coordinates, thereby reducing the number of forward passes and the size of the Jacobian matrix required for gradient computations. By incorporating forward-mode automatic differentiation (AD), we further optimize computational efficiency, achieving linear scaling of computational cost with discretization density and dimensionality, making our approach highly suitable for high-dimensional PDEs. We demonstrate the effectiveness of Sep-PI-DeepONet through three benchmark PDE models: the viscous Burgers’ equation, Biot’s consolidation theory, and a parameterized heat equation. Our framework maintains accuracy comparable to the conventional PI-DeepONet while reducing training time by two orders of magnitude. Notably, for the heat equation solved as a 4D problem, the conventional PI-DeepONet was computationally infeasible (estimated 289.35 h), while the Sep-PI-DeepONet completed training in just 2.5 h. These results underscore the potential of Sep-PI-DeepONet in efficiently solving complex, high-dimensional PDEs, marking a significant advancement in physics-informed machine learning.

Neural operator↗

A Spatio-Temporal Approach for Global Validation and Analysis of MODIS Aerosol Products

With the launch of the MODIS sensor on the Terra spacecraft, new data sets of the global distribution and properties of aerosol are being retrieved, and need to be validated and analyzed. A system has been put in place to generate spatial statistics (mean, standard deviation, direction and rate of spatial variation, and spatial correlation coefficient) of the MODIS aerosol parameters over more than 100 validation sites spread around the globe. Corresponding statistics are also computed from temporal subsets of AERONET-derived aerosol data. The means and standard deviations of identical parameters from MOMS and AERONET are compared. Although, their means compare favorably, their standard deviations reveal some influence of surface effects on the MODIS aerosol retrievals over land, especially at low aerosol loading. The direction and rate of spatial variation from MODIS are used to study the spatial distribution of aerosols at various locations either individually or comparatively. This paper introduces the methodology for generating and analyzing the data sets used by the two MODIS aerosol validation papers in this issue.

Ichoku, Charles↗

Recent Efforts to Improve the Near Real Time Forest Disturbance Monitoring Capabilities of the ForWarn System

This presentation discusses the development of anew method for computing NDVI temporal composites from near real time eMODIS data This research is being conducted to improve forest change products used in the ForWarn system for monitoring regional forest disturbances in the United States. ForWarn provides nation-wide NDVI-based forest disturbance detection products that are refreshed every 8 days. Current eMODIS and historical MOD13 24 day NDVI data are used to compute the disturbance detection products. The eMODIS 24 day NDVI data re-aggregated from 7 day NDVI products. The 24 day eMODIS NDVIs are generally cloud free, but do not necessarily use the freshest quality data. To shorten the disturbance detection time, a method has been developed that performs adaptive length/maximum value compositing of eMODIS NDVI, along with cloud and shadow "noise" mitigation. Tests indicate that this method can reduce detection rates by 8-16 days for known recent disturbance events, depending on the cloud frequencies and disturbance type. The noise mitigation in these tests, though imperfect, helped to improve quality of the resulting NDVI and forest change products.

Spruce, Joseph↗