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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Structural mechanisms for binding and activation of a contact-quenched fluorophore by RhoBAST

The fluorescent light-up aptamer RhoBAST, which binds and activates the fluorophore–quencher conjugate tetramethylrhodamine-dinitroaniline with high affinity, super high brightness, remarkable photostability, and fast exchange kinetics, exhibits excellent performance in super-resolution RNA imaging. Here we determine the co-crystal structure of RhoBAST in complex with tetramethylrhodamine-dinitroaniline to elucidate the molecular basis for ligand binding and fluorescence activation. The structure exhibits an asymmetric “A”-like architecture for RhoBAST with a semi-open binding pocket harboring the xanthene of tetramethylrhodamine at the tip, while the dinitroaniline quencher stacks over the phenyl of tetramethylrhodamine instead of being fully released. Molecular dynamics simulations show highly heterogeneous conformational ensembles with the contact-but-unstacked fluorophore–quencher conformation for both free and bound tetramethylrhodamine-dinitroaniline being predominant. The simulations also show that, upon RNA binding, the fraction of xanthene-dinitroaniline stacked conformation significantly decreases in free tetramethylrhodamine-dinitroaniline. This highlights the importance of releasing dinitroaniline from xanthene tetramethylrhodamine to unquench the RhoBAST–tetramethylrhodamine-dinitroaniline complex. Using SAXS and ITC, we characterized the magnesium dependency of the folding and binding mode of RhoBAST in solution and indicated its strong structural robustness. The structures and binding modes of relevant fluorescent light-up aptamers are compared, providing mechanistic insights for rational design and optimization of this important fluorescent light-up aptamer-ligand system.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Computing the Properties of Matter with Leadership Computing Resources (Closeout Report for DE-SC0018121)

In order to add more capabilities to Halide, we have designed a new framework called Tiramisu and integrated this framework into Halide. Since Tiramisu enables Halide to target heterogeneous architectures, our development efforts have been refocused on Tiramisu. Most high-performance computer systems today are complex and increasingly heterogeneous; they may have CPUs, GPUs and FPGAs. Achieving best performance requires taking full advantage of all these different architectures. To address this issue, we have designed Tiramisu, an optimization framework that enables Halide (and other DSLs) to target heterogeneous architectures. Tiramisu is an optimization framework that takes as input a high level, architecture-independent representation of code and a set of scheduling and data mapping commands that guide code transformation. The input can either be generated by a domain-specific language (DSL) compiler such as Halide or directly written by a programmer. Tiramisu then applies the user-specified code and data-layout transformations and generates an architecture-specific, low-level intermediate representation (IR) that takes advantage of modern architectural features such as multicore parallelism, non-uniform memory (NUMA) hierarchies, clusters, and accelerators like GPUs and FPGAs. We integrated Tiramisu within Halide and implemented a representative set of benchmarks to evaluate this integration. Tiramisu is now open source and is available for public use (http://tiramisu-compiler.org/). A paper about Tiramisu was published, it shows that Tiramisu extends Halide with many new capabilities and that Tiramisu can generate efficient code for multicores, GPUs, FPGAs and distributed heterogeneous systems. The performance of code generated by the Tiramisu backends matches or exceeds hand optimized reference implementations. For example, the multicore backend matches the highly optimized Intel MKL library on many kernels and shows speedups reaching 4x over the original Halide. In addition to making Tiramisu more robust, we have used Tiramisu to implement a set of representative tensor operation for constructing baryon building blocks required for multi baryon contractions in LQCD. In order to implement this code, we needed to generalize Tiramisu in two ways: first we needed to support indirect array accesses, and second, we needed to add support for complex numbers to Tiramisu. The code generated by Tiramisu is 6x faster than the reference code. Our efforts towards an MPI based multi-node version of tiramisu have matured and the resulting code scales well on multiple nodes (tests up to 512 KNL nodes have been undertaken).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1988

International Conference on Advances in Communication and Control Systems, 1st, Washington, DC, June 18-20, 1987, Proceedings

Theoretical models of communication and control systems are discussed in reviews and reports. Topics addressed include smoothing and identification for random fields, the information and coding capacities of mismatched Gaussian channels, recursive least-squares estimation and Kalman filtering by systolic arrays, Kemp echo digital filters, a periodic test-scheduling scheme for communication and queuing processes, and receivers for direct-sequence systems. Consideration is given to a distributed-parameter model for detecting cracks in rotors, active control of aeroelastic systems governed by functional differential equations, robust multivariable control of large space structures, finite-rank relatively bounded perturbations of semigroup generators, and sensitivity analysis of convex optimal-control problems.

Declaris, Nicholas↗
NASA NTRS1999

First Look at Landsat-7 Mission Performance: Technical and Operational Results to Date

A primary goal of the current Landsat-7 mission, launched on April 15, 1999, is to acquire and refresh on a seasonal basis, calibrated ata sets of multispectral digital imagery of the landmass of the Earth The Enhanced Thematic Mapper Plus (ETM+) imager flown on Landsat-7 provides ground spatial resolutions in the panchromatic, reflective and emissive bands of 15, 30 and 60 meters, respectively, for a nominal scene 183 km wide by 170 km long. This mission not only builds on the invaluable 27-year continuous archive of thematic images of the Earth provided by previous Landsat satellites, it also inaugurates a new era of robust data acquisition with an emphasis on global change science. The newly developed Long Term Acquisition Plan (LTAP) is being used to optimize the systematic collection of data from all parts of the globe, populating the U.S.-held archive at the USGS EROS Data Center (EDC) with over 90,000 Landsat scene per year . An additional 73,000 Images are expected to be acquired each year by several international ground stations, for a total downlink of Landsat7 data in excess of 100 terabytes per year. Nearly 20,000 scan of Landsat-7 ETM+ data have already been acquired in the first 100 days of the mission. Early results derived from assessments of the ETM+ instrument, the spacecraft, and the ground processing systems indicate that the image quality is outstanding, clearly the best ever provided by any Landsat mission. Sensor radiometric background stability after the first 100 days in orbit is approximately 0.1 percent. Stability of the Full Aperture Solar Calibrator is approximately 0.3 percent, and mid-scale per pixel noise is approximately 0.6 percent. A ground processing system has been implemented at EDC which is capable of capturing, processing and archiving 250 Landsat scenes 9 per day, and delivering 100 scene products to seems each day. The cost of a systematically-processed Level 1 product has been dropped dramatically to $600, end there is no longer any copyright protection an the data. The net result is that the use of Landsat ETM+ data is expected to grow dramatically, and this growth is expected to benefit all facets of the land remote sensing community.

Williams, Darrel L.↗
NASA NTRS2000

New Developments in Quaternion Estimation from Vector Observations

This paper contains a critical comparison of estimators minimizing Wahba's loss function. Some new results are presented for the QUaternion ESTimator (QUEST) and EStimators of the Optimal Quaternion (ESOQ and ESOQ2) to avoid the computational burden of sequential rotations in these algorithms. None of these methods is as robust in principle as Davenport's q method or the Singular Value Decomposition (SVD) method, which are significantly slower. Robustness is only an issue for measurements with widely differing accuracies, so the fastest estimators, the modified ESOQ and ESOQ2, are well suited to sensors that track multiple stars with comparable accuracies. More robust forms of ESOQ and ESOQ2 are developed that are intermediate in speed.

Markley, F. Landis↗
NASA NTRS2003

Genomic clocks and evolutionary timescales

For decades, molecular clocks have helped to illuminate the evolutionary timescale of life, but now genomic data pose a challenge for time estimation methods. It is unclear how to integrate data from many genes, each potentially evolving under a different model of substitution and at a different rate. Current methods can be grouped by the way the data are handled (genes considered separately or combined into a 'supergene') and the way gene-specific rate models are applied (global versus local clock). There are advantages and disadvantages to each of these approaches, and the optimal method has not yet emerged. Fortunately, time estimates inferred using many genes or proteins have greater precision and appear to be robust to different approaches.

Evolution, Molecular↗
NASA NTRS2005

Strategies and Approaches to TPS Design

Thermal protection systems (TPS) insulate planetary probes and Earth re-entry vehicles from the aerothermal heating experienced during hypersonic deceleration to the planet s surface. The systems are typically designed with some additional capability to compensate for both variations in the TPS material and for uncertainties in the heating environment. This additional capability, or robustness, also provides a surge capability for operating under abnormal severe conditions for a short period of time, and for unexpected events, such as meteoroid impact damage, that would detract from the nominal performance. Strategies and approaches to developing robust designs must also minimize mass because an extra kilogram of TPS displaces one kilogram of payload. Because aircraft structures must be optimized for minimum mass, reliability-based design approaches for mechanical components exist that minimize mass. Adapting these existing approaches to TPS component design takes advantage of the extensive work, knowledge, and experience from nearly fifty years of reliability-based design of mechanical components. A Non-Dimensional Load Interference (NDLI) method for calculating the thermal reliability of TPS components is presented in this lecture and applied to several examples. A sensitivity analysis from an existing numerical simulation of a carbon phenolic TPS provides insight into the effects of the various design parameters, and is used to demonstrate how sensitivity analysis may be used with NDLI to develop reliability-based designs of TPS components.

Paul Kolodziej↗
NASA NTRS2011

Optimized Biasing of Pump Laser Diodes in a Highly Reliable Metrology Source for Long-Duration Space Missions

Optical metrology system reliability during a prolonged space mission is often limited by the reliability of pump laser diodes. We developed a metrology laser pump module architecture that meets NASA SIM Lite instrument optical power and reliability requirements by combining the outputs of multiple single-mode pump diodes in a low-loss, high port count fiber coupler. We describe Monte-Carlo simulations used to calculate the reliability of the laser pump module and introduce a combined laser farm aging parameter that serves as a load-sharing optimization metric. Employing these tools, we select pump module architecture, operating conditions, biasing approach and perform parameter sensitivity studies to investigate the robustness of the obtained solution.

808 mm diode pumps↗
NASA NTRS2018

Remote Sensing of CDOM, CDOM Spectral Slope, and Dissolved Organic Carbon in the Global Ocean

A Global Ocean Carbon Algorithm Database (GOCAD) has been developed from over 500 oceanographic field campaigns conducted worldwide over the past 30 years including in situ reflectances and coincident satellite imagery, multi- and hyperspectral Chromophoric Dissolved Organic Matter (CDOM) absorption coefficients from 245–715 nm, CDOM spectral slopes in eight visible and ultraviolet wavebands, dissolved and particulate organic carbon (DOC and POC, respectively), and inherent optical, physical, and biogeochemical properties. From field optical and radiometric data and satellite measurements, several semi-analytical, empirical, and machine learning algorithms for retrieving global DOC, CDOM, and CDOM slope were developed, optimized for global retrieval, and validated. Global climatologies of satellite-retrieved CDOM absorption coefficient and spectral slope based on the most robust of these algorithms lag seasonal patterns of phytoplankton biomass belying Case 1 assumptions, and track terrestrial runoff on ocean basin scales. Variability in satellite retrievals of CDOM absorption and spectral slope anomalies are tightly coupled to changes in atmospheric and oceanographic conditions associated with El Niño Southern Oscillation (ENSO), strongly covary with the multivariate ENSO index in a large region of the tropical Pacific, and provide insights into the potential evolution and feedbacks related to sea surface dissolved carbon in a warming climate. Further validation of the DOC algorithm developed here is warranted to better characterize its limitations, particularly in mid-ocean gyres and the southern oceans.

Dissolved organic carbon↗
NASA NTRS2016

Coupled Retrieval of Aerosol Properties and Surface Reflection Using the Airborne Multi-Angle SpectroPolarimetric Imager (AirMSPI)

The Airborne Multi-angle SpectroPolarimetric Imager (AirMSPI) has been flying aboard the NASA ER-2 high altitude aircraft since October 2010. In step-and-stare operation mode, AirMSPI acquires radiance and polarization data at 355, 380, 445, 470*, 555, 660*, 865*, and 935 nm (* denotes polarimetric bands). The imaged area covers about 10 km by 10 km and is observed from 9 view angles between ±67° off of nadir. We have developed an efficient and flexible code that uses the information content of AirMSPI data for a coupled retrieval of aerosol properties and surface reflection. The retrieval was built based on the multi-pixel optimization concept, with the use of a hybrid radiative transfer model that combines the Markov Chain and adding/doubling methods. The convergence and robustness of our algorithm is ensured by applying constraints on (a) the spectral variation of the Bidirectional Polarization Distribution Function (BPDF) and angular shape of the Bidirectional Reflectance Distribution Function (BRDF); (b) the spectral variation of aerosol optical properties; and (c) the spatial variation of aerosol parameters across neighboring image pixels. Our retrieval approach has been tested using over 20 AirMSPI datasets having low to moderately high aerosol loadings (~0.02<AOD550-nm<~0.45) and acquired during several field campaigns. Results are compared with AERONET aerosol reference data. We also explore the benefits of AirMSPI’s ultraviolet and polarimetric bands as well as the use of multiple view angles.

Xu, Feng↗
DOE OSTI2025

Development for Integrated System-Level Analysis Capabilities in SAM for Molten Salt Reactors

In recent years, there has been renewed interest in Molten Salt Reactors (MSRs) for their potential advantages compared to reactors that rely on solid fuel. In response to such interest, many methods and codes have been developed to capture the unique features of MSRs. Among them, the System Analysis Module (SAM) is a modern system analysis tool that provides fast-running, modest-fidelity, whole-plant transient analysis capabilities, essential for fast-turnaround design scoping and engineering analyses of advanced reactor concepts. For liquid-fuel MSRs, the complex physics and chemistry involved in MSR operation—such as reactor kinetics, fluid flow, heat transfer, and salt composition dynamics—pose significant challenges for system-level modeling. Specific modeling capabilities are needed for system-level transient simulation. This paper presents recent advancements in SAM capability enhancements for system-level modeling of MSRs, focusing on improved simulation fidelity, computational efficiency, and multi-physics integration. Key enhancements include the development of species transport, Delayed Neutron Precursor (DNP) drift, modified Point Kinetics Equations (PKE), decay heat modeling, key fission product behavior, salt corrosion, and thermal-hydraulic coupling, as well as code robustness and performance enhancements for MSR applications. The code enhancement allows for better predictive accuracy in safety analysis, transient behavior, and operational optimization, thus supporting the design and licensing of next-generation MSRs. Results from case studies are presented to demonstrate the benefits of these enhancements in accurately capturing key reactor transient behaviors.

Hu, Rui (ORCID:0000000237712920)↗
DOE OSTI2022

Controls Optimization Final Report, Controls Algorithms Report, Control Optimization - SPA II: Heaving Buoy Test Results [Three reports]

The over-arching project objective is to fully develop and validate optimal controls frameworks that can subsequently be applied widely to different WEC devices and concepts. Optimal controls of WEC devices represent a fundamental building block for WEC designers that must be considered as an integral part of every stage of device development. Using a building-blocks approach to optimal controls development, this effort will result in the full development of a feed-forward and feed-back control approach and a wave prediction system. Phase I focused primarily on numerical offline optimization and validation using wave tank testing of three industry partners’ WEC devices, including; CalWave, Ocean Energy, and Resolute Marine Energy. These industry partnerships allowed us to identify optimal control strategies for these different WEC topologies at different maturity levels. Phase II focused on demonstrating an integrated control system on an at-sea prototype that is to be custom-built and maturing the HW and SW required to successfully run our advanced controls code frameworks on at-sea systems. A secondary focus during phase II is to adapt our systems identification, controls and wave-prediction frameworks to become more robust and comprehensive in respect to RT capability, robustness, and reliability.

16 TIDAL AND WAVE POWER↗
NASA NTRS2012

Enhanced-Adhesion Multi-Walled Carbon Nanotubes on Titanium Substrates for Stray Light Control

Carbon nanotubes previously grown on silicon have extremely low reflectance, making them a good candidate for stray light suppression. Silicon, however, is not a good structural material for stray light components such as tubes, stops, and baffles. Titanium is a good structural material and can tolerate the 700 C nanotube growth process. The ability to grow carbon nanotubes on a titanium substrate that are ten times blacker than the current NASA state-of-the-art paints in the visible to near infrared spectra has been achieved. This innovation will allow significant improvement of stray light performance in scientific instruments or any other optical system. This innovation is a refinement of the utilization of multiwalled carbon nano tubes for stray light suppression in spaceflight instruments. The innovation is a process to make the surface darker and improve the adhesion to the substrate, improving robustness for spaceflight use. Bright objects such as clouds or ice scatter light off of instrument structures and components and make it difficult to see dim objects in Earth observations. A darker material to suppress this stray light has multiple benefits to these observations, including enabling scientific observations not currently possible, increasing observational efficiencies in high-contrast scenes, and simplifying instruments and lowering their cost by utilizing fewer stray light components and achieving equivalent performance. The prior art was to use commercially available black paint, which resulted in approximately 4% of the light being reflected (hemispherical reflectance or total integrated scatter, or TIS). Use of multiwalled carbon nanotubes on titanium components such as baffles, entrance aperture, tubes, and stops, can decrease this scattered light by a factor of ten per bounce over the 200-nm to 2,500-nm wavelength range. This can improve system stray light performance by orders of magnitude. The purpose of the innovation is to provide an enhanced stray light control capability by making a blacker surface treatment for typical stray light control components. Since baffles, stops, and tubes used in scientific observations often undergo loads such as vibration, it was critical to develop this surface treatment on structural materials. The innovation is to optimize the carbon nanotube growth for titanium, which is a strong, lightweight structural material suitable for spaceflight use. The titanium substrate carbon nanotubes are more robust than those grown on silicon and allow for easier utilization. They are darker than current surface treatments over larger angles and larger wavelength range. The primary advantage of titanium substrate is that it is a good structural material, and not as brittle as silicon.

Hagopian, John↗
DOE OSTI2020

RouteE: A Vehicle Energy Consumption Prediction Engine

The emergence of connected and automated vehicles and smart cities technologies create the opportunity for new mobility modes and routing decision tools, among many others. To achieve maximum mobility and minimum energy consumption, it is critical to understand the energy cost of decisions and optimize accordingly. The Route Energy prediction model (RouteE) enables accurate estimation of energy consumption for a variety of vehicle types over trips or sub-trips where detailed drive cycle data are unavailable. Applications include vehicle route selection, energy accounting and optimization in transportation simulation, and corridor energy analyses, among others. The software is a Python package that includes a variety of pre-trained models from the National Renewable Energy Laboratory (NREL). However, RouteE also enables users to train custom models using their own data sets, making it a robust and valuable tool for both fast calculations and rigorous, data-rich research efforts. The pre-trained RouteE models are established using NREL’s Future Automotive Systems Technology Simulator paired with approximately 1 million miles of drive cycle data from the Transportation Secure Data Center, resulting in energy consumption behavior estimates over a representative sample of driving conditions for the United States. Validations have been performed using on-road fuel consumption data for conventional and electrified vehicle powertrains. Transferring the results of the on-road validation to a larger set of real-world origin-destination pairs, it is estimated that implementing the present methodology in a green-routing application would accurately select the route that consumes the least fuel 90% of the time. The novel machine learning techniques used in RouteE make it a flexible and robust tool for a variety of transportation applications.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Co-optimized Mixed-Mode Engine and Fuel Demonstrator for Improved Fuel Economy while Meeting Emissions Requirements

Progressively increasing regulatory demands on fuel economy and future global emission standards have led to a focus on advanced engine development to improve overall engine efficiency and fulfill emission requirements. Low temperature combustion (LTC) and gasoline compression ignition (GCI) are promising technologies to achieve these goals and have the advantage of using existing refinery infrastructure and subsequent economies of scale for a robust energy supply. By applying spark ignition (SI) for cold start, LTC for low load operations, and GCI for medium to high load operations, a multimode GCI engine concept was proposed and the fuel formation was co-optimized to maximize fuel economy improvement potential while maintaining ULEV 70 emissions standards. HATCI has successfully demonstrated the feasibility of this multimode GCI engine concept, and confirmed the fuel economy improvement over the baseline SI engine by simulating the FTP75 vehicle drive cycle. In this report, the technical approaches, multimode engine control, and engine test results of both steady state and transitions, CFD modeling, fuel testing, and FTP75 drive cycle simulation results are summarized, followed with technical challenges observed, and recommendations for possible follow-up studies.

02 PETROLEUM↗
DOE OSTI2026

scPlantAnnotate: an accurate and robust transformer-based model for plant cell type annotation

Accurate cell type annotation remains a major bottleneck in plant single-cell RNA sequencing (scRNA-seq), where existing tools are often adapted from animal studies and perform sub-optimally on plant data. The lack of plant-specific computational frameworks limits the construction of plant cell atlases and downstream biological discovery. We develop and evaluate scPlantAnnotate, a Transformer-based reference annotation framework tailored for plant scRNA-seq data, and benchmark it against state-of-the-art deep learning and conventional methods across multiple plant species. Species-specific scPlantAnnotate models were trained using curated datasets from Arabidopsis thaliana, Zea mays, Oryza sativa, and Glycine max. We compared scPlantAnnotate with leading baselines under both standard random-split evaluation and a more stringent leave-one-dataset-out setting, which tests robustness to completely unseen datasets and tissue types. scPlantAnnotate consistently outperforms existing approaches across all four species under random-split evaluation. In the leave-one-dataset-out setting for A. thaliana, where performance drops markedly for all methods due to strong batch effects and dataset heterogeneity, scPlantAnnotate nonetheless achieves the highest Accuracy, Macro-F1, Balanced Accuracy, and Macro-AUROC on average and ranks first on most held-out datasets. These results demonstrate improved robustness to dataset shifts, a critical yet underexplored challenge in plant scRNA-seq analysis. A freely accessible web server enables users to annotate their own datasets using pretrained models. scPlantAnnotate provides a plant-specific, Transformer-based framework for single-cell annotation that delivers state-of-the-art performance and enhanced robustness to unseen datasets. By addressing limitations of existing tools and enabling scalable reference-based annotation, scPlantAnnotate supports the development of comprehensive plant cell atlases and facilitates broader use of single-cell genomics in plant biology.

Bioinformatics↗
NASA NTRS2023

Quantum Image Denoising: A Framework via Boltzmann Machines, QUBO, and Quantum Annealing

We investigate a framework for binary image denoising via restricted Boltzmann machines (RBMs) that introduces a denoising objective in quadratic unconstrained binary optimization (QUBO) form and is well-suited for quantum annealing. The denoising objective is attained by balancing the distribution learned by a trained RBM with a penalty term for derivations from the noisy image. We derive the statistically optimal choice of the penalty parameter assuming the target distribution has been well-approximated, and further suggest an empirically supported modification to make the method robust to that idealistic assumption. We also show under additional assumptions that the denoised images attained by our method are, in expectation, strictly closer to the noise-free images than the noisy images are. While we frame the model as an image denoising model, it can be applied to any binary data. As the QUBO formulation is well-suited for implementation on quantum annealers, we test the model on a D-Wave Advantage machine, and also test on data too large for current quantum annealers by approximating QUBO solutions through classical heuristics.

restricted Boltzmann machine↗