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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 OSTI2016

Strategies to improve reference databases for soil microbiomes

A database of curated genomes is needed to better assess soil microbial communities and their processes associated with differing land management and environmental impacts. Interpreting soil metagenomic datasets with existing sequence databases is challenging because these datasets are biased towards medical and biotechnology research and can result in misleading annotations. We have curated a database of 928 genomes of soil-associated organisms (888 bacteria, 34 archaea, and 6 fungi). Using this database as a representation of the current state of knowledge of soil microbes that are well-characterized, we evaluated its composition and compared it to broader microbial databases, specifically NCBI’s RefSeq, as well as 3,035 publicly available soil amplicon datasets. These comparisons identified phyla and functions that are enriched in soils as well as those that may be underrepresented in RefSoil. For example, RefSoil was observed to have increased representation of Firmicutes despite its low abundance in soil environments and also lacked representation of Acidobacteria and Verrucomicrobia, which are abundant in soils. Our comparison of RefSoil to soil amplicon datasets allowed us to identify targets that if cultured or sequenced would significantly increase the biodiversity represented within RefSoil. To demonstrate the opportunities to access these underrepresented targets, we employed single cell genomics in a pilot experiment to recover 14 genomes from the "most wanted" list, which improved RefSoil's representation of EMP sequences by 7% by abundance. This effort demonstrates the value of RefSoil in the guidance of future research efforts and the capability of single cell genomics as a practical means to fill the existing genomic data gaps.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Design of 30-T pulsed magnetic field generator for magnetized high-energy-density plasma experiments

We introduce the conceptual design of a high-voltage pulser intended to generate 30-T magnetic fields for magneto-inertial fusion experiments at the OMEGA facility. The pulser uses a custom capacitor bank and two externally triggered spark gaps to drive a multi-turn coil. This new high-voltage pulser is capable of storing 10 times more energy than the previous system, using a higher charge voltage (from 20 kV to 30 kV) and a larger capacitance (from 1 µF to 5 µF). Circuit simulations show that this pulser can deliver 100 kA into a 60-nH, 14-mΩ coil with a rise time of 1 μs. For a coil with 2 turns with an average coil diameter of 7.8 mm, this current translates into a 32-T peak magnetic field at coil center. This is an element of three increase in the peak magnetic field compared to the present generator magnetic field capabilities.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

An Assessment of the Usability of Machine Learning Based Tools for the Security Operations Center

Gartner, a large research and advisory company, anticipates that by 2024 80% of security operation centers (SOCs) will use machine learning (ML) based solutions to enhance their operations. 1 1 https://www.ciodive.com/news/how-data-science-tools-can-lighten-the-load-for-cybersecurity-teams/572209/ In light of such widespread adoption, it is vital for the research community to identify and address usability concerns. This work presents the results of the first in situ usability assessment of ML-based tools. With the support of the US Navy, we leveraged the national cyber range-a large, air-gapped cyber testbed equipped with state-of-the-art network and user emulation capabilities-to study six US Naval SOC analysts' usage of two tools. Our analysis identified several serious usability issues, including multiple violations of established usability heuristics for user interface design. We also discovered that analysts lacked a clear mental model of how these tools generate scores, resulting in mistrust a and/or misuse of the tools themselves. Surprisingly, we found no correlation between analysts' level of education or years of experience and their performance with either tool, suggesting that other factors such as prior background knowledge or personality play a significant role in ML-based tool usage. Our findings demonstrate that ML-based security tool vendors must put a renewed focus on working with analysts, both experienced and inexperienced, to ensure that their systems are usable and useful in real-world security operations settings.

Oesch, T↗

DOE OSTI2023

QASMBench: A Low-Level Quantum Benchmark Suite for NISQ Evaluation and Simulation

The rapid development of quantum computing (QC) in the NISQ era urgently demands a low-level benchmark suite and insightful evaluation metrics for characterizing the properties of prototype NISQ devices, the efficiency of QC programming compilers, schedulers and assemblers, and the capability of quantum system simulators in a classical computer. In this work, we fill this gap by proposing a low-level, easy-to-use benchmark suite called QASMBench based on the OpenQASM assembly representation. It consolidates commonly used quantum routines and kernels from a variety of domains including chemistry, simulation, linear algebra, searching, optimization, arithmetic, machine learning, fault tolerance, cryptography, and so on, trading-off between generality and usability. To analyze these kernels in terms of NISQ device execution, in addition to circuit width and depth, we propose four circuit metrics including gate density, retention lifespan, measurement density, and entanglement variance, to extract more insights about the execution efficiency, the susceptibility to NISQ error, and the potential gain from machine-specific optimizations. Applications in QASMBench can be launched and verified on several NISQ platforms, including IBM-Q, Rigetti, IonQ and Quantinuum. For evaluation, we measure the execution fidelity of a subset of QASMBench applications on 12 IBM-Q machines through density matrix state tomography, comprising 25K circuit evaluations. In addition we also compare the fidelity of executions among the IBM-Q machines, the IonQ QPU and the Rigetti Aspen M-1 system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

CAFE AU LAIT: Compute-Aware Federated Augmented Low-Rank AI Training

Federated finetuning is crucial for unlocking the knowledge embedded in pretrained Large Language Models (LLMs) when data are geographically distributed across clients. Unlike finetuning with data from a single institution, federated finetuning allows collaboration across multiple institutions, enabling the utilization of diverse and decentralized datasets while preserving data privacy. Given the high computing costs of LLM training and the emphasis on energy efficiency in Federated Learning (FL), Low-Rank Adaptation (LoRA) has emerged as a widely adopted algorithm due to its significantly reduced number of trainable parameters. However, this assumes that all data silos have the necessary computing resources to compute local updates of LLMs. Nevertheless, in practice, the computing resources across clients are highly heterogeneous: while some may have access to hundreds of GPUs, others might have limited or no GPU access. Recently, federated finetuning using synthetic data has been proposed, allowing clients to participate in a collaborative training run without training LLMs locally. However, our experimental results reveal a performance gap between models trained using synthetic data and those trained using local updates. Motivated by the observed heterogeneity in computing resources and the performance gap, we propose a novel two-stage algorithm that leverages the storage and computing capabilities of a strong server. In the first stage, under the coordination of the strong server, clients with limited computing resources collaborate to generate synthetic data, which is transferred to and stored on the strong server. In the second stage, the strong server uses this synthetic data on behalf of the resource-constrained clients to perform federated LoRA finetuning alongside clients with sufficient computing resources. This approach ensures that all clients can participate in the finetuning process. Experimental results demonstrate that incorporating local updates from even a small fraction of clients improves performance compared to using synthetic data for all clients. Furthermore, we incorporate the Gaussian mechanism in both stages to guarantee client-level differential privacy.

Wang, Jiayi [ORNL]↗

DOE OSTI2018

ECP ST Capability Assesment Report VTK-m

The ECP/VTK-m project is providing the core capabilities to perform scientific visualization on exascale architectures. The ECP/VTK-m project fills the critical feature gap of performing visualization and analysis on processors like graphics-based processors and many integrated core. The results of this project will be delivered in tools like Para View, Vislt, and Ascent as well as in stand-alone form. Moreover, these projects are depending on this ECP effort to be able to make effective use of ECP architectures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

ECP ST Capability Assesment Report (CAR) for VTK-m (FY18)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

ECP ST Capability Assessment Report (CAR) for VTK-m (FY19)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

ECP ST Capability Assessment Report (CAR) for VTK-m (FY20)

The ECP/VTK-m project is providing the core capabilities to perform scientific visualization on Exascale architectures. The ECP/VTK-m project fills the critical feature gap of performing visualization and analysis on processors like graphics-based processors. The results of this project will be delivered in tools like ParaView, Vislt, and Ascent as well as in stand-alone form. Moreover, these projects are depending on this ECP effort to be able to make effective use of ECP architectures. One of the biggest recent changes in high-performance computing is the increasing use of accelerators. Accelerators contain processing cores that independently are inferior to a core in a typical CPU, but these cores are replicated and grouped such that their aggregate execution provides a very high computation rate at a much lower power. Current and future CPU processors also require much more explicit parallelism. Each successive version of the hardware packs more cores into each processor, and technologies like hyper threading and vector operations require even more parallel processing to leverage each core's full potential. VTK-m is a toolkit of scientific visualization algorithms for emerging processor architectures. VTK-m supports the fine-grained concurrency for data analysis and visualization algorithms required to drive extreme scale computing by providing abstract models for data and execution that can be applied to a variety of algorithms across many different processor architectures. The ECP/VTK-m project is building up the VTK-m codebase with the necessary visualization algorithm implementations that run across the varied hardware platforms to be leveraged at the Exascale. We will be working with other ECP projects, such as ALPINE, to integrate the new VTK-m code into production software to enable visualization on our HPC systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Influence of Vegetation Canopy Architecture on Dynamics of Spatiotemporal Light Distribution and its Effect on Land-Biosphere-Atmosphere Fluxes of Energy, Carbon, and Water

The dynamic spatiotemporal distribution of light and micro climatic variables (wind speed, atmospheric CO 2 concentration, humidity, pressure, and air temperature) within the plant canopy as determined by the canopy architecture play a critical role in land-biosphere-atmosphere (LBA) photosynthetic carbon uptake, transpiratory water loss and energy partitioning. Vegetation models that include effects of sun and shade flecks, leaf temperature and energy balance partitioning between sensible and latent heat fluxes, and reduced turbulent mixing in dense vegetation canopies can accurately predict canopy performance, particularly its shaded leaves, which can constitute 80% of leaf area and contribute up to 50% of carbon update and 65% of water loss. However, current vegetation models with their bulk characterization of shaded leaves poorly represent the complex three dimensional (3D) canopy architecture are insufficient to capture the spatiotemporal dynamics of shaded leaves. Here, we propose to employ an x-ray computed tomography (XCT) imaging technique in combination with an automated, high throughput, image processing pipeline (3DArch, to be developed) to obtain an explicit 3D triangulated surface mesh of a plant canopy (Fig 1). 3DArch would provide a much needed technological jump in 3D LBA modeling where computer generated artificial 3D models suffer from lack of high resolution detailed canopy architecture parameters. The 3D canopy surface mesh output from 3DArch is coupled with an explicit 3D forward ray tracing model (fastTracer) to obtain a high resolution representation of the dynamic spatiotemporal light environment within the canopy over the course of a day (Fig 1). The results from the light attenuation model are then coupled with a process based multi-scale bio-physical canopy and leaf model of photosynthesis (PlantGro) to get fluxes of carbon, water and energy at the leaf and canopy scale, in addition to estimating whole plant carbon uptake, and water loss. Our proposed model framework would be the first of its kind to provide a breakthrough capability in the field of process-based plant modeling that bridges the key technological gap in shaded leaf modeling through explicit representation of 3D canopy architecture. Computer generated artificial 3D model canopy simulations on grasses show that the canopy light distribution does not follow an exponential behavior as assumed in most 1D vegetation models, but rather exhibits a heterogeneous behavior, with a small but significant portion of interior canopy leaves experiencing peak light levels due to sun flecks while the rest of the canopy receives substantially lower light levels. These results indicate a bias in traditional models that overestimates shaded leaf contribution towards whole canopy photosynthesis by up to 15% and underestimate transpiration by up to 12% with an associated increase in sensible heat fluxes since photosynthesis, transpiration and energy partitioning are tightly coupled processes. However, these test results need to be validated using the 3D architecture obtained from a real plant imaged in 3D using 3DArch, rather than an artificial model plant. Our proposed model framework would allow us to identify inefficiencies in canopy light distribution and prescribe optimal canopy architectures (leaf optical properties, leaf area, leaf angles, row spacing, planting density, etc.) to traditional and genetic engineering based crop breeders, for maximizing target functions such as light use efficiency, water use efficiency, drought tolerance, crop yield, crop resilience etc., with important applications in biofuel crops such as sorghum, and switchgrass. Our model can also be applied for designing optimal canopy architecture that increase surface albedo as a mitigation strategy for global warming and projections of crop yield for future food and water security under climate change.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Multiscale Wildfire Simulation Framework and Remote Sensing

Wildfire as one type of climate extreme events causes huge socioeconomic losses and damages. Large wildfires (i.e., generated pyrocumulonimbus (PyroCb)) can inject tremendous amounts of smoke into the stratosphere, where black carbon and organic carbon aerosols can persist months to years and influence climate by imposing a significant reduction in the radiative forcing like that associated with large volcanic eruptions or proposed via climate interventions such as geoengineering. Both observations and numerical modeling results clearly indicate an increasing trend in wildfire frequency and intensity in many regions during the recent decades with climate change. However, current understanding of wildfire remains largely uncertain owing to limitations of modeling capabilities in representing the multiscale wildfire physics and dynamics and a scarcity of observations constraining important wildfire and environmental variables. This study primarily aims to improve the wildfire simulation capabilities in the state-of-the-art climate model by filling in two major gaps: (1) model resolution is typically too coarse to resolve fine scale processes associated with fires, and (2) chemistry and aerosol processes in fire smoke are poorly represented.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Viscoelastic Modeling of Polymers in ALEGRA with the GAP Model

The Glassy Amorphous Polymer (GAP) model is a viscoelastic/plastic model developed at Los Alamos National Laboratory to accurately model a variety of polymers across a wide range of conditions and loading rates, including shock loading. In the present report we introduce and assess this model, newly implemented in the ALEGRA shock and multiphysics code, using a series of verification and application-related validation problems. We describe the mathematical and theoretical formulation of the model, as well as its implementation in ALEGRA, in detail. We provide verification results that assess the model implementation against published computational results, as well as validation results which we compare to existing experimental results when possible. These comparisons instill confidence in the implementation and indicate that the addition of the GAP model to the ALEGRA code provides users with a high-fidelity polymer modeling capability that is capable of recreating complex polymer phenomena.

36 MATERIALS SCIENCE↗

NASA NTRS1974

A wind-tunnel investigation of parameters affecting helicopter directional control at low speeds in ground effect

An investigation was conducted in the Langley full-scale tunnel to measure the performance of several helicopter tail-rotor/fin configurations with regard to directional control problems encountered at low speeds in ground effect. Tests were conducted at wind azimuths of 0 deg to 360 deg in increments of 30 deg and 60 deg and at wind speeds from 0 to 35 knots. The results indicate that at certain combinations of wind speed and wind azimuth, large increases in adverse fin force require correspondingly large increases in the tail-rotor thrust, collective pitch, and power required to maintain yaw trim. Changing the tail-rotor direction of rotation to top blade aft for either a pusher tail rotor (tail-rotor wake blowing away from fin) or a tractor tail rotor (tail-rotor wake blowing against fin) will alleviate this problem. For a pusher tail rotor at 180 deg wind azimuth, increases in the fin/tail-rotor gap were not found to have any significant influence on the overall vehicle directional control capability. Changing the tail rotor to a higher position was found to improve tail-rotor performance for a fin-off configuration at a wind azimuth of 180 deg. A V-tail configuration with a pusher tail rotor with top blade aft direction of rotation was found to be the best configuration with regard to overall directional control capability.

Yeager, W. T., Jr.↗

NASA NTRS1981

A BAPTA employing rotary transformers, stepper motors and ceramic ball bearings

The utilization of rotary transformers as an alternative to slip rings for the power transfer from solar panels to a satellite's main body could be advantageous, especially if an ac bus system is taken into consideration. Different approaches with main emphasis on the electromagnetic design were investigated and showed efficiencies of up to 99% with a 3 kW power capability. A solidly preloaded pair of ball bearings with ceramic balls assures proper transformer air gaps and acceptable torque changes over temperature and temperature gradients. The bearing and power transfer assembly is driven by a direct drive stepper motor with inherent redundancy properties and needs no caging mechanism.

Auer, W.↗

NASA NTRS1984

The breakdown of fibrous structures in directionally grown monotectic alloys

The breakdown of aligned steady-state metallic growth products from the reversible monotectic reaction liquid (L1) yields solid (S1) + liquid (L2) is analyzed experimentally. Consideration is given to the temperatures of the monotectic horizontal, to upper consolute temperature of the liquid miscibility gap which through the relative liquid and solid surface energies determines whether the reaction is capable of steady-state growth; the growth characteristics of the solid (faceted or nonfaceted); and the relative whetting characteristics of parent and product phases with the glass cell walls. Schematic drawings and composite photographs are provided which illustrate the development of steady-state growth and the related changes in phase sickness of the reaction product.

Grugel, R. N.↗

NASA NTRS1985

Pantographing self adaptive gap elements

This paper develops a so-called pantographing self adaptive gap element type contact strategy. Due to the manner of formulation, the scheme has the capability to handle large deformations in the contact zone; contact initiation in structure exhibiting either positive or indefinite stiffness characteristics; kinematic and material nonlinearity as well as; self adaptively adjusts load/time stepping. In this context, contact in pre and postbuckling structure can be treated. To illustrate the scheme, several benchmark problems are presented. These include contacting structure involving large deformation kinematics, inelastic behavior as well as pre and postbuckling stiffness characteristics.

Padovan, J.↗

NASA NTRS1985

Spacelab Hitchhiker, for rapid, low cost orbital resources

A carrier system called the Hitchhiker is being developed by NASA to bridge the gap between the limited capabilites of the Get Away Special (GAS) and the full support capabilities of the Spacelab. The Hitchhiker offers economy class flight for experiments which need little in the way of support services. The concept behind this carrier system is to use existing hardware in two basic configurations and to provide several sets of fixed service interfaces to the payload. One version of the Hitchhiker was designed to hang on the right side of the bay and the other to span the bay. Aside from cargo bay sill-level mounting positions for experiments, both Hitchhiker configurations provide modest power, command, and data management, and no active cooling services. The Hitchhiker is a payload of opportunity system utilizing the volume and weight remaining in the cargo bay after primary-payload needs are satisfied. Pointing and other time line requirements are limited to those established by the primary payload. The paper descibes the experiments of the first two Hitchhiker flights, together with future applications.

James, E.↗

NASA NTRS1993

Climsat rationale

We summarize reasons for the Climsat proposition; we also stress the need for certain climate monitoring other than that supplied by Climsat, especially solar irradiance, and we stress the complementarity of Climsat monitoring to plans for detailed EOS measurements. Existing and planned observations will not provide measurements of most climate forcing and feedback parameters with the accuracy needed to measure plausible decadal changes. Stratospheric water vapor and aerosol requirements are not met, for example, even though the present SAGE II instrument on the ERBS spacecraft measures those two parameters accurately, because ERBS is not expected to last more than a few years and it does not provide global coverage. We stress the imminence of a potential data gap even of those parameters, such as solar irradiance and stratospheric aerosols, for which monitoring capability has been proven and currently is in place. We find that most of the missing global climate forcings and feedbacks can be measured by three small instruments, which would need to be deployed on two spacecraft to obtain adequate sampling and global coverage. The monitoring must be maintained continuously for at least two decades. Such continuity can be attained by replacing a satellite after it fails, the functioning satellite providing calibration transfer to the new satellite. Certain complementary monitoring data are also needed, including solar monitoring from space, in order to fully meet requirements for monitoring all the climate forcings and feedbacks. The complementary data needs are discussed toward the end of this section. We summarize the proposed Climsat measurements and compare the expected accuracies to those which are needed to analyze changes of the global thermal energy cycle on decadal time scales. We stress the need to get broader participation of the scientific community in the monitoring and analysis activity. Finally, we discuss related climate process and diagnostic measurements.

Hansen, James↗