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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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DOE OSTI2023

Recombination smooths the time-signal disrupted by latency in within-host HIV phylogenies

Within-host HIV evolution involves several features that may disrupt standard phylogenetic reconstruction. One important feature is re-activation of latently integrated provirus, which has the potential to disrupt the temporal signal, leading to variation in the branch lengths and apparent evolutionary rates in a tree. Yet, real within-host HIV phylogenies tend to show clear, ladder-like trees structured by the time of sampling. Another important feature is recombination, which violates the fundamental assumption that evolutionary history can be represented by a single bifurcating tree. Thus, recombination complicates the within-host HIV dynamic by mixing genomes and creating evolutionary loop structures that cannot be represented in bifurcating trees. In this paper, we develop a coalescent-based simulator of within-host HIV evolution that includes latency, recombination, and effective population size dynamics that allows us to study the relationship between the true, complex genealogy of within-host HIV evolution, encoded as an Ancestral Recombination Graph (ARG), and the observed phylogenetic tree. To compare our ARG results to the familiar phylogeny format, we calculate the expected bifurcating tree after decomposing the ARG into all unique site trees, their combined distance matrix, and the overall corresponding bifurcating tree. While latency and recombination separately disrupt the phylogenetic signal, remarkably, we find that recombination recovers the temporal signal of within-host HIV evolution caused by latency by mixing fragments of old, latent genomes into the contemporary population. In effect, recombination averages over extant heterogeneity, whether it stems from mixed time-signals or population bottlenecks. Further, we establish that the signals of latency and recombination can be observed in phylogenetic trees despite being an incorrect representation of the true evolutionary history. Using an Approximate Bayesian Computation method, we develop a set of statistical probes to tune our simulation model to nine longitudinally-sampled within-host HIV phylogenies. Because ARGs are exceedingly difficult to infer from real HIV data, our simulation system allows investigating effects of latency, recombination, and population size bottlenecks by matching decomposed ARGs to real data as observed in standard phylogenies.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Understanding Generative AI Content with Embedding Models

The construction of high-quality numerical features is critical to any quantitative data analysis. Feature engineering has been historically addressed by carefully hand-crafting data representations based on domain expertise. This work views the internal representations of modern deep neural networks (DNNs), called embeddings, as an implicit form of traditional feature engineering. For trained DNNs, we show that these embeddings can reveal interpretable, high-level concepts in unstructured sample data. We use these embeddings in natural language and computer vision tasks to uncover both inherent heterogeneity in the underlying data and human-understandable explanations for it. In particular, we find empirical evidence that there is inherent separability between real data and those generated from AI models.

Vargas, Max↗

NASA NTRS1995

Radiative flux opens new window on climate research

For several decades, global satellite observations have been made of the rate at which electromagnetic energy (radiative flux) is emerging from the top of the atmosphere of our planet in the spectral range of about 0.2-50.0 microns. At the same time, models have been developed to infer the radiative flux at the surface from the values observed by the satellites at the upper boundary. The balance of incoming and outgoing radiative flux (radiation budget) at both boundaries, determines the net gain or loss of the radiative energy within an atmospheric column. Climate researchers can use the radiative flux as a tool to validate climate models, separate the radiative impact of clouds from surface and atmosphere contributions, and to understand the global hydrological cycle. When applied to physical processes occurring at the surface, information on the radiative flux has the potential to substantially advance our understanding of the transport of heat, moisture, and momentum across the surface/atmosphere interface. Geophysicists of many disciplines stand to benefit from efforts to improve the use of this latter untapped resource. Oceanographers can improve the representation of the selective absorption of radiation in the oceans; biologists and ecologists can improve their models for carbon dioxide exchange and biological heating in oceans; agronomists can model more realistically biomass and crop yields; and environmentalists can obtain better assessment of natural resources of radiation.

Pinker, R. T.↗

NASA NTRS2006

A Concept for Run-Time Support of the Chapel Language

A document presents a concept for run-time implementation of other concepts embodied in the Chapel programming language. (Now undergoing development, Chapel is intended to become a standard language for parallel computing that would surpass older such languages in both computational performance in the efficiency with which pre-existing code can be reused and new code written.) The aforementioned other concepts are those of distributions, domains, allocations, and access, as defined in a separate document called "A Semantic Framework for Domains and Distributions in Chapel" and linked to a language specification defined in another separate document called "Chapel Specification 0.3." The concept presented in the instant report is recognition that a data domain that was invented for Chapel offers a novel approach to distributing and processing data in a massively parallel environment. The concept is offered as a starting point for development of working descriptions of functions and data structures that would be necessary to implement interfaces to a compiler for transforming the aforementioned other concepts from their representations in Chapel source code to their run-time implementations.

James, Mark↗

NASA NTRS1994

A dynamic localization model with stochastic backscatter

The modeling of subgrid scales in large-eddy simulation (LES) has been rationalized by the introduction of the dynamic localization procedure. This method allows one to compute rather than prescribe the unknown coefficients in the subgrid-scale model. Formally, the LES equations are supposed to be obtained by applying to the Navier-Stokes equations a 'grid filter' operation. Though the subgrid stress itself is unknown, an identity between subgrid stresses generated by different filters has been derived. Although preliminary tests of the Dynamic Localization Model (DLM) with k-equation have been satisfactory, the use of a negative eddy viscosity to describe backscatter is probably a crude representation of the physics of reverse transfer of energy. Indeed, the model is fully deterministic. Knowing the filtered velocity field and the subgrid-scale energy, the subgrid stress is automatically determined. We know that the LES equations cannot be fully deterministic since the small scales are not resolved. This stems from an important distinction between equilibrium hydrodynamics and turbulence. In equilibrium hydrodynamics, the molecular motions are also not resolved. However, there is a clear separation of scale between these unresolved motions and the relevant hydrodynamic scales. The result of molecular motions can then be separated into an average effect (the molecular viscosity) and some fluctuations. Due to the large number of molecules present in a box with size of the order of the hydrodynamic scale, the ratio between fluctuations and the average effect should be very small (as a result of the 'law of large numbers'). For that reason, the hydrodynamic balance equations are usually purely deterministic. In turbulence, however, there is no clear separation of scale between small and large eddies. In that case, the fluctuations around a deterministic eddy viscosity term could be significant. An eddy noise would then appear through a stochastic term in the subgrid-scale model and could be the source of backscatter.

Carati, Daniele↗

NASA NTRS1988

On-line object feature extraction for multispectral scene representation

A new on-line unsupervised object-feature extraction method is presented that reduces the complexity and costs associated with the analysis of the multispectral image data and data transmission, storage, archival and distribution. The ambiguity in the object detection process can be reduced if the spatial dependencies, which exist among the adjacent pixels, are intelligently incorporated into the decision making process. The unity relation was defined that must exist among the pixels of an object. Automatic Multispectral Image Compaction Algorithm (AMICA) uses the within object pixel-feature gradient vector as a valuable contextual information to construct the object's features, which preserve the class separability information within the data. For on-line object extraction the path-hypothesis and the basic mathematical tools for its realization are introduced in terms of a specific similarity measure and adjacency relation. AMICA is applied to several sets of real image data, and the performance and reliability of features is evaluated.

Ghassemian, Hassan↗

DOE OSTI2020

Implementation of a Quasi-3D Multiscale Modeling Framework to ACME

Representation of unresolved cloud processes has been one of the most challenging problems in numerical modeling of the atmosphere. During the last decades, considerable efforts have been spent to better represent the collective effects of those processes in terms of resolved scales (see Arakawa 2004 for a review). Still, the progress on this problem has been unacceptably slow as pointed out by Randall et al. (2003). The large part of the difficulty is inherent in the artificial separation of atmospheric processes into the explicitly simulated resolved scales and the highly parameterized subgrid scales. Arakawa (2004) and Arakawa et al. (2011) suggested two plausible approaches to eliminate the problem of artificial separation ofatmospheric processes: “parameterize everything” and “resolve everything”.

58 GEOSCIENCES↗

DOE OSTI2020

Use of Remote Sensing and In-situ Observations to Develop and Evaluate Improved Representations of Convection and Clouds for the Accelerated Climate Model for Energy. Final report

Representation of unresolved cloud processes has been one of the most challenging problems in numerical modeling of the atmosphere. During the last decades, considerable efforts have been spent to better represent the collective effects of those processes in terms of resolved scales (see Arakawa 2004 for a review). Still, the progress on this problem has been unacceptably slow as pointed out by Randall et al. (2003). The large part of the difficulty is inherent in the artificial separation of atmospheric processes into the explicitly simulated resolved scales and the highly parameterized subgrid scales. Arakawa (2004) and Arakawa et al. (2011) suggested two plausible approaches to eliminate the problem of artificial separation of atmospheric processes: “parameterize everything” and “resolve everything”.

58 GEOSCIENCES↗

NASA NTRS0202

Rest architecture for link analysis tools portal

A web portal is under development to improve overall services provided by NASA networks that support near-‐Earth missions. These networks are managed by Space Communication and Navigation (SCaN) Program of NASA and include the following: Deep Space Network (DSN), Space Network (SN), and Near-‐Earth Network (NEN). DSN is a network of antennas located in three longitudinally separated sites and supports interplanetary spacecraft missions, radio science, and radar astronomy observations. SN consists of a number of geostationary Tracking and Data Relay Satellites (TDRS) and associated ground stations. NEN consists of both NASA-‐owned ground stations and those owned by international, commercial, and academic partners. This study investigates different web access techniques for mission users to use link analysis tools that aid in operating NASA networks. We developed a web portal prototype following principles of Representational state transfer (REST) architecture to leverage scalability, independent deployment of tools, and generic interfaces. In REST architectures, requests and responses between clients and servers are built around transferring representations of resources that can be addressed in memory. We demonstrate the feasibility of using REST architecture to facilitate web-‐service transactions via web-‐portal.

Lee, Carlyn-‐Ann↗

NASA NTRS2007

Collaborative Resource Allocation

Collaborative Resource Allocation Networking Environment (CRANE) Version 0.5 is a prototype created to prove the newest concept of using a distributed environment to schedule Deep Space Network (DSN) antenna times in a collaborative fashion. This program is for all space-flight and terrestrial science project users and DSN schedulers to perform scheduling activities and conflict resolution, both synchronously and asynchronously. Project schedulers can, for the first time, participate directly in scheduling their tracking times into the official DSN schedule, and negotiate directly with other projects in an integrated scheduling system. A master schedule covers long-range, mid-range, near-real-time, and real-time scheduling time frames all in one, rather than the current method of separate functions that are supported by different processes and tools. CRANE also provides private workspaces (both dynamic and static), data sharing, scenario management, user control, rapid messaging (based on Java Message Service), data/time synchronization, workflow management, notification (including emails), conflict checking, and a linkage to a schedule generation engine. The data structure with corresponding database design combines object trees with multiple associated mortal instances and relational database to provide unprecedented traceability and simplify the existing DSN XML schedule representation. These technologies are used to provide traceability, schedule negotiation, conflict resolution, and load forecasting from real-time operations to long-range loading analysis up to 20 years in the future. CRANE includes a database, a stored procedure layer, an agent-based middle tier, a Web service wrapper, a Windows Integrated Analysis Environment (IAE), a Java application, and a Web page interface.

Wang, Yeou-Fang↗

DOE OSTI2020

Load Composition Analysis in Support of the NERC Load Modeling Task Force. 2019-2020 Field Test of the Composite Load Model

In 2015, NERC’s reliability standards were revised to require the use of dynamic load models in transmission planning studies. To comply with the standards, planners must use load models that explicitly represent the dynamic behavior of the different constituents of load at each load bus within their transmission planning models. The most important of these constituents are motor-driven and power electronics-based loads. Collectively, these representations are known as composite load models. In anticipation of the compliance date for the new standards, NERC’s Load Modeling Task Force (LMTF), in 2019, initiated a field test of composite load models involving the regional reliability planning entities. In support of the field test, DOE and BPA researchers developed region-specific composite load models that could be assigned to each non-industrial load bus in the planning models for each of the North American interconnections. Separate models were developed for each hour of a summer peak day, a winter peak day, and a spring light-load day. This report is the technical documentation for the load composition analysis that was conducted to develop these non-industrial composite load models.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1987

Studies of vortex dominated flows; Proceedings of the Symposium, Hampton, VA, July 9-11, 1985

Papers are presented on waves and bifurcations in vortex filaments, a ring-vortex representation of an axisymmetric vortex sheet, and comparison of experiment with the dynamics of the von Karman vortex trail. Also considered are force-free and loss-free transitions between vortex flow states, a vortex breakdown simulation based on a nonlinear inviscid method, and the prediction of highly vortical flows using an Euler equation model. Other topics include the theory of high-Reynolds-number flow past a blunt body, progress on the calculation of large-scale separation at high Reynolds numbers, and viscous-inviscid interaction solvers and computation of highly separated flows. Papers are also presented on simulation studies of vortex dynamics of a leading edge vortex flap, methods for numerical simulation of leading edge vortex flow, and comparison of measured and computed pitot pressures in a leading edge vortex from a delta wing.

Hussaini, M. Y.↗

DOE OSTI2023

Combining variational autoencoders and physical bias for improved microscopy data analysis *

Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as electron energy loss spectroscopy or 4D scanning transmission electron microscope, that contain information on a wide range of structural, physical, and chemical properties of materials. To extract valuable insights from these data, it is crucial to identify physically separate regions in the data, such as phases, ferroic variants, and boundaries between them. In order to derive an easily interpretable feature analysis, combining with well-defined boundaries in a principled and unsupervised manner, here we present a physics augmented machine learning method which combines the capability of variational autoencoders to disentangle factors of variability within the data and the physics driven loss function that seeks to minimize the total length of the discontinuities in images corresponding to latent representations. Our method is applied to various materials, including NiO-LSMO, BiFeO 3 , and graphene. The results demonstrate the effectiveness of our approach in extracting meaningful information from large volumes of imaging data. The customized codes of the required functions and classes to develop phyVAE is available at https://github.com/arpanbiswas52/phy-VAE.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Optimized low-depth quantum circuits for molecular electronic structure using a separable-pair approximation

We present a classically tractable model that leads to optimized low-depth quantum circuits leveraging separable-pair approximations. The obtained circuits are well suited as a baseline circuit for emerging quantum hardware and can, in the long term, provide significantly improved initial states for quantum algorithms. The associated wave functions can be represented with linear memory requirement, which allows classical optimization of the circuits and naturally defines a minimum benchmark for quantum algorithms. In this work we employ directly determined pair-natural orbitals within a basis-set-free approach. This leads to accurate representation of the one- and many-body parts for weakly correlated systems and we explicitly illustrate how the model can be integrated into other quantum algorithms for stronger correlated systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS2007

The Evolution of the Stratopause During the 2006 Major Warming: Satellite Data and Assimilated Meteorological Analyses

Microwave Limb Sounder and Sounding of the Atmosphere with Broadband Emission Radiometry data show the polar stratopause, usually higher than and separated from that at midlatitudes, dropping from <55-60 to near 30 km, and cooling dramatically in January 2006 during a major stratospheric sudden warming (SSW). After a nearly isothermal period, a cool stratopause reforms near 75 km in early February, then drops to <55 km and warms. The stratopause is separated in longitude as well as latitude, with lowest temperatures in the transition regions between higher and lower stratopauses. Operational assimilated meteorological analyses, which are not constrained by data at stratopause altitude, do not capture a secondary temperature maximum that overlies the stratopause or the very high stratopause that reforms after the SSW; they underestimate the stratopause altitude variation during the SSW. High-quality daily satellite temperature measurements are invaluable in improving our understanding of stratopause evolution and its representation in models and assimilation systems.

Manney, Gloria L.↗

DOE OSTI2024

CLDERA-E3SM

SAND2025-03846O CLDERA-E3SM enhances the E3SMv2 model by adding new options such as complete stratospheric volcanic aerosol representation and idealized physics model configuration for the atmosphere component. CLDERA-E3SM also allows for aerosol source emission specification, which is a powerful method for tracking aerosol and its climate impacts in E3SMv2. This new code better represents stratospheric sulfate aerosol and includes modifications such as changes to the default aerosol size distributions and to stratospheric aerosol microphysical treatment, which allows stratospheric sulfate aerosol to grow larger than in the default E3SMv2. New aerosol source tagging can be customized to separate the global emission of select aerosol tracers—such as sulfate, black carbon, and organic carbon aerosol—into a new, user specified list of sources. It also includes idealized simulations of the atmosphere and volcanic aerosol tracers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hillman, Benjamin↗

NASA NTRS1990

Modeling and model simplification of aeroelastic vehicles

The rigid-body degrees of freedom and elastic degrees of freedom of aeroelastic vehicles are typically treated separately in dynamic analysis. Such a decoupling, however, is not always justified and modeling assumptions that imply decoupling must be used with caution. The frequency separation between the rigid-body and elastic degrees of freedom for advanced aircraft may no longer be sufficient to permit the typical treatment of the vehicle dynamics. Integrated, elastic vehicle models must be developed initially and simplified in a manner appropriate to and consistent with the intended application. This paper summarizes key results from the research aimed at developing and implementing integrated aeroelastic vehicle models for flight controls analysis and design. Three major areas will be addressed: (1) the accurate representation of the dynamics of aeroelastic vehicles, (2) properties of several model simplification methods, and (3) the importance of understanding the physics of the system being modeled and of having a model which exposes the underlying physical causes for critical dynamic characteristics.

Waszak, Martin R.↗

NASA NTRS1992

Modeling and model simplification of aeroelastic vehicles: An overview

The rigid-body degrees of freedom and elastic degrees of freedom of aeroelastic vehicles are typically treated separately in dynamic analysis. Such a decoupling, however, is not always justified and modeling assumptions that imply decoupling must be used with caution. The frequency separation between the rigid-body and elastic degrees of freedom for advanced aircraft may no longer be sufficient to permit the typical treatment of the vehicle dynamics. Integrated, elastic vehicle models must be developed initially and simplified in a manner appropriate to and consistent with the intended application. This paper summarizes key results from past research aimed at developing and implementing integrated aeroelastic vehicle models for flight controls analysis and design. Three major areas will be addressed: (1) the accurate representation of the dynamics of aeroelastic vehicles, (2) properties of several model simplification methods, and (3) the importance of understanding the physics of the system being modeled and of having a model which exposes the underlying physical causes for critical dynamic characteristics.

Waszak, Martin R.↗