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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Robust multiresonant nonlocal metasurfaces by rational design

Abstract Dielectric metasurfaces supporting optical resonances have become a promising platform for quantum and nonlinear optics. However, resonant metasurfaces remain limited in their capacity to independently control the behavior of many distinct resonances despite efforts in computational optimization and inverse design. In this work, we overcome longstanding limitations by introducing a generalized rational design paradigm based on symmetry. Specifically, we use symmetry-broken metasurfaces with periodic “quadromer” lattices comprised of four nanostructures per unit cell to enable extensive control of multiple optical resonances. The rationally designed metasurfaces are readily fabricable, and we experimentally demonstrate metasurfaces that support up to four high Q-factor resonances with deliberately chosen free-space polarizations, spectral separations, and mode profiles. Our design paradigm may unlock new applications for multiresonant metasurfaces in quantum and nonlinear optics, optical sensing, and augmented reality displays.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

An Analytical Technology Platform to Identify Symbiotic Interactions Between PGPR and Root Microbiome Members from Biofuel Feedstocks

The goal of this STTR project was to establish a commericially-viable technology platform that can be used to develop formulations of plant growth promoting rhizobacteria (PGPR) that can be used as biofertilizers for improved production of woody biomass. The platform has been designed to screen thousands of different formulations of microorganisms in search for those formulations that best support the growth and survival of PGPR species. The focus of the Phase I project was to provide the existing technology with new capabilities that define its commerical pathway. These goals were to (1) adapt the existing platform for use with Populus isolates and (2) developing a highly-automated image analysis software tool that can rapidly screen large data sets to statistically identify optimized biofertilizer formulations. The project has produced a software routine for this screening and identification need, and has generated preliminary data for use of this approach to identify symbiotic PGPR communities that may be useful for promoting Populus growth.

09 BIOMASS FUELS↗
NASA NTRS1989

Vehicle path-planning in three dimensions using optics analogs for optimizing visibility and energy cost

Path planning is an important issue for space robotics. Finding safe and energy-efficient paths in the presence of obstacles and other constraints can be complex although important. High-level (large-scale) path planning for robotic vehicles was investigated in three-dimensional space with obstacles, accounting for: (1) energy costs proportional to path length; (2) turn costs where paths change trajectory abruptly; and (3) safety costs for the danger associated with traversing a particular path due to visibility or invisibility from a fixed set of observers. Paths optimal with respect to these cost factors are found. Autonomous or semi-autonomous vehicles were considered operating either in a space environment around satellites and space platforms, or aircraft, spacecraft, or smart missiles operating just above lunar and planetary surfaces. One class of applications concerns minimizing detection, as for example determining the best way to make complex modifications to a satellite without being observed by hostile sensors; another example is verifying there are no paths (holes) through a space defense system. Another class of applications concerns maximizing detection, as finding a good trajectory between mountain ranges of a planet while staying reasonably close to the surface, or finding paths for a flight between two locations that maximize the average number of triangulation points available at any time along the path.

Rowe, Neil C.↗
NASA NTRS2015

Safety Related Considerations in Autonomy

In this talk I will describe NASA strategy and research efforts to provide safety assurance for increasingly autonomous systems used in aviation. In the near future, autonomy will play an important role in civil aviation, and its applications will range from vehicles and platforms (UAVs, transport-class, including supersonic to hypersonic, aircraft) to airspace operations, or health management systems. This infusion of autonomy is driven by a need for optimizing airspace operations to accommodate increasing traffic density (e.g., adaptive trajectory-based operations, autonomous tugs, close parallel runways, and dynamic separation assurance), reducing operation costs to ensure that US operators can compete with emergent countries, and enabling new business models (e.g., fire fighting, UAS-based package delivery and precise aerial photography). In essence virtually every component of the National Airspace System will become increasingly autonomous. Yet we need to do so in a safe manner and have techniques and processes in place to ensure the safety of the public. This talk describes NASA plans to address this problem

Air Traffic Management↗
NASA NTRS2020

Squash-Box Feasibility Driven Differential Dynamic Programming

Recently, Differential Dynamic Programming (DDP) and other similar algorithms have become the solvers of choice when performing non-linear Model Predictive Control (nMPC) with modern robotic devices. The reason is that they have a lower computational cost per iteration when compared with off-the-shelf Non-Linear Programming (NLP) solvers, which enables its online operation. However, they cannot handle constraints, and are known to have poor convergence capabilities. In this paper, we propose a method to solve the optimal control problem with control bounds through a squashing function (i.e., a sigmoid, which is bounded by construction). It has been shown that a naive use of squashing functions damage the convergence rate. To tackle this, we first propose to add a quadratic barrier that avoids the difficulty of the plateau produced by the sigmoid. Second, we add an outer loop that adapts both the sigmoid and the barrier; it makes the optimal control problem with the squashing function converge to the original control-bounded problem. To validate our method, we present simulation results for different types of platforms including a multi-rotor, a biped, a quadruped and a humanoid robot.

Navarro, Angel Santamaria↗
DOE OSTI2019

A Zoom-in Analysis of I/O Logs to Detect Root Causes of I/O Performance Bottlenecks

Scientific applications frequently spend a large fraction of their execution time in reading and writing data on parallel file systems. Identifying these I/O performance bottlenecks and attributing root causes are critical steps toward devising optimization strategies. Several existing studies analyze I/O logs of a set of benchmarks or applications that were run with controlled behaviors. However, there is still a lack of general approach that systematically identifies I/O performance bottlenecks for applications running "in the wild" on production systems. In this study, we have developed an analysis approach of "zooming in" from platform-wide to application-wide to job-level I/O logs for identifying I/O bottlenecks in arbitrary scientific applications. We analyze the logs collected on a Cray XC40 system in production over a two-month period. This study results in several insights for application developers to use in optimizing I/O behavior.

Wang, Teng↗
DOE OSTI2017

Automatic translation of MPI source into a latency-tolerant, data-driven form

Hiding communication behind useful computation is an important performance programming technique but remains an inscrutable programming exercise even for the expert. We present Bamboo, a code transformation framework that can realize communication overlap in applications written in MPI without the need to intrusively modify the source code. Bamboo reformulates MPI source into the form of a task dependency graph that expresses a partial ordering among tasks, enabling the program to execute in a data-driven fashion under the control of an external runtime system. Experimental results demonstrate that Bamboo significantly reduces communication delays while requiring only modest amounts of programmer annotation for a variety of applications and platforms, including those employing co-processors and accelerators. Moreover, Bamboo's performance meets or exceeds that of labor-intensive hand coding. The translator is more than a means of hiding communication costs automatically; it demonstrates the utility of semantic level optimization against a wellknown library.

Communication-computation↗
DOE OSTI2022

Distributed Grid Control of Flexible Loads and DERs for Optimized Provision of Synthetic Regulating Reserves

Over the course of this project, we have successfully de-risked our distributed microgrid control architecture by tightly integrating its associated control algorithms into a unified software library, installing the software library on several industrial-grade target hardware platforms, and validating the performance of the resulting microgrid controller in a real-life microgrid. Upon completion of the project, we demonstrated that our distributed control architecture is resilient against (i) failures in control devices, (ii) unreliable communication links, (iii) delays in transmitted data, and (iv) imperfect knowledge of the number of (and state of) generation and load assets in the microgrid. In this final report, we present results from all the milestones that were accomplished over the course of this project.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

Wearable Sweat Band for Noninvasive Levodopa Monitoring

Levodopa is the standard medication clinically prescribed to patients afflicted with Parkinson's disease. In particular, the monitoring and optimization of levodopa dosage are critical to mitigate the onset of undesired fluctuations in the patients' physical and emotional conditions such as speech function, motor behavior, and mood stability. The traditional approach to optimize levodopa dosage involves evaluating the subjects' motor function, which has many shortcomings due to its subjective and limited quantifiable nature. In this paper, we present a wearable sweat band on a nanodendritic platform that quantitatively monitors levodopa dynamics in the body. Both stationary iontophoretic induction and physical exercise are utilized as our methods of sweat extraction. The sweat band measures real-time pharmacokinetic profiles of levodopa to track the dynamic response of the drug metabolism. We demonstrated the sweat band's functionalities on multiple subjects with implications toward the systematic administering of levodopa and routine management of Parkinson's disease.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Transient Efficiency, Flexibility, and Reliability Optimization of Coal-Fired Power Plants - Final Program Review

This program developed an advanced model-based monitoring and model-predictive control algorithms for a coal fired power plant (CFPP), and deployed these algorithms in a real-time platform to demonstrate performance benefits for transient flexibility and plant operation efficiency. More specifically, the objectives were successfully achieved through a combination of (i) developing a high-fidelity transient plant model in Apros, which was used as a high-fidelity plant simulation between $100-50\% TMCR$ where TMCR denotes the turbine maximum continuous rating, i.e., baseload, (ii) developing a very fast physics-based reduced-order model (ROM) of the plant, which ran more than $100\times$ faster than real-time, enabling its use as real-time embedded model for model-based estimation (MBE) and model predictive control (MPC) (iii) implementing a real-time MBE based on ROM using a robust unscented Kalman filter (UKF) to continuously tune the ROM to match the measurements from high-fidelity Apros plant model despite significant plant-model mismatch, and thus, obtain a Digital Twin of the plant (iv) designing and implementing a real-time MPC with dual objectives of transient plant load tracking with high ramp rates and minimizing coal consumption, i.e., improving plant efficiency in the baseload-partload operation range of $100-50\% TMCR$. Each key element above was developed and tested individually, and has been reported in corresponding Topical Reports. Finally, all the individual elements were integrated in an overall closed-loop system, that was successfully tested in desktop Simulink test harness simulations with ROM or high-fidelity model as the plant. Thereafter, the Simulink implementation was used to auto-generate C-code and deploy as real-time Docker microservice containers in Linux, and validate that they can run in real-time in the hardware-in-the loop (HIL) setup and produce the same results as in Simulink. The results of the integrated simulation tests in Simulink as well as the real-time HIL deployment are documented in this final report, showing good load tracking for load ramps at $3-4\%/min$ ramp rates, and achieving up to $5.5\%$ reduction in coal relative to baseline operation at $50\% TMCR$ load. The desktop and HIL simulations show successful performance of the overall model based estimation and control solution and achieve the key objectives of the program for flexible, efficient and reliable operation of sub-critical coal fired power plants.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

A coarse-grained simulation model for colloidal self-assembly via explicit mobile binders

Colloidal particles with mobile binding molecules constitute a powerful platform for probing the physics of self-assembly. Binding molecules are free to diffuse and rearrange on the surface, giving rise to spontaneous control over the number of droplet–droplet bonds, i.e., valence, as a function of the concentration of binders. This type of valence control has been realized experimentally by tuning the interaction strength between DNA-coated emulsion droplets. Optimizing for valence two yields droplet polymer chains, termed ‘colloidomers’, which have recently been used to probe the physics of folding. To understand the underlying self-assembly mechanisms, here we present a coarse-grained molecular dynamics (CGMD) model to study the self-assembly of this class of systems using explicit representations of mobile binding sites. Further, we explore how valence of assembled structures can be tuned through kinetic control in the strong binding limit. More specifically, we optimize experimental control parameters to obtain the highest yield of long linear colloidomer chains. Subsequently tuning the dynamics of binding and unbinding via a temperature-dependent model allows us to observe a heptamer chain collapse into all possible rigid structures, in good agreement with recent folding experiments. Our CGMD platform and dynamic bonding model (implemented as an open-source custom plugin to HOOMD-Blue) reveal the molecular features governing the binding patch size and valence control, and opens the study of pathways in colloidomer folding. This model can therefore guide programmable design in experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Simulating many-engine spacecraft: Exceeding 1 quadrillion degrees of freedom via information geometric regularization

We present an optimized implementation of the recently proposed information geometric regularization (IGR) for unprecedented scale simulation of compressible fluid flows applied to multi-engine spacecraft boosters. We improve upon state-of-the-art computational fluid dynamics (CFD) techniques in terms of computational cost, memory footprint, and energy-to-solution metrics. Unified memory on coupled CPU–GPU or APU platforms increases problem size with negligible overhead. Mixed half/single-precision storage and computation are used on well-conditioned numerics. We simulate flow at 200 trillion grid points and 1 quadrillion degrees of freedom, exceeding the current record by a factor of 20. A factor of 4 wall-time speedup is achieved over optimized baselines. Ideal weak scaling is observed on OLCF Frontier, LLNL El Capitan, and CSCS Alps using the full systems. Strong scaling is near ideal at extreme conditions, including 80% efficiency on CSCS Alps with an 8 node baseline and stretching to the full system.

Wilfong, Benjamin [Georgia Institute of Technology↗
DOE OSTI2024

Rapid discovery and evolution of nanosensors containing fluorogenic amino acids

Binding-activated optical sensors are powerful tools for imaging, diagnostics, and biomolecular sensing. However, biosensor discovery is slow and requires tedious steps in rational design, screening, and characterization. Here we report on a platform that streamlines biosensor discovery and unlocks directed nanosensor evolution through genetically encodable fluorogenic amino acids (FgAAs). Building on the classical knowledge-based semisynthetic approach, we engineer ~15 kDa nanosensors that recognize specific proteins, peptides, and small molecules with up to 100-fold fluorescence increases and subsecond kinetics, allowing real-time and wash-free target sensing and live-cell bioimaging. An optimized genetic code expansion chemistry with FgAAs further enables rapid (~3 h) ribosomal nanosensor discovery via the cell-free translation of hundreds of candidates in parallel and directed nanosensor evolution with improved variant-specific sensitivities (up to ~250-fold) for SARS-CoV-2 antigens. Altogether, this platform could accelerate the discovery of fluorogenic nanosensors and pave the way to modify proteins with other non-standard functionalities for diverse applications.

Biosensors↗
DOE OSTI2024

Multi‐Stage Optimization of Pore Size and Shape in Pore‐Space‐Partitioned Metal–Organic Frameworks for Highly Selective and Sensitive Benzene Capture

Abstract Compared to exploratory development of new structure types, pushing the limits of isoreticular synthesis on a high‐performance MOF platform may have higher probability of achieving targeted properties. Multi‐modular MOF platforms could offer even more opportunities by expanding the scope of isoreticular chemistry. However, navigating isoreticular chemistry towards best properties on a multi‐modular platform is challenging due to multiple interconnected pathways. Here on the multi‐modular pacs (partitioned acs) platform, we demonstrate accessibility to a new regime of pore geometry using two independently adjustable modules (framework‐forming module 1 and pore‐partitioning module 2). A series of new pacs materials have been made. Benzene/cyclohexane selectivity is tuned, progressively, from 4.5 to 15.6 to 195.4 and to 482.5 by pushing the boundary of the pacs platform towards the smallest modules known so far. The exceptional stability of these materials in retaining both porosity and single crystallinity enables single‐crystal diffraction studies of different crystal forms (as‐synthesized, activated, guest‐loaded) that help reveal the mechanistic aspects of adsorption in pacs materials.

Chen, Yichong↗
DOE OSTI2024

Multi–Stage Optimization of Pore Size and Shape in Pore–Space–Partitioned Metal–Organic Frameworks for Highly Selective and Sensitive Benzene Capture

Compared to exploratory development of new structure types, pushing the limits of isoreticular synthesis on a high-performance MOF platform may have higher probability of achieving targeted properties. Multi-modular MOF platforms could offer even more opportunities by expanding the scope of isoreticular chemistry. However, navigating isoreticular chemistry towards best properties on a multi-modular platform is challenging due to multiple interconnected pathways. Here on the multi-modular pacs (partitioned acs) platform, we demonstrate accessibility to a new regime of pore geometry using two independently adjustable modules (framework-forming module 1 and pore-partitioning module 2). A series of new pacs materials have been made. Benzene/cyclohexane selectivity is tuned, progressively, from 4.5 to 15.6 to 195.4 and to 482.5 by pushing the boundary of the pacs platform towards the smallest modules known so far. The exceptional stability of these materials in retaining both porosity and single crystallinity enables single-crystal diffraction studies of different crystal forms (as-synthesized, activated, guest-loaded) that help reveal the mechanistic aspects of adsorption in pacs materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Chapter 6: An Improved Leaf Protoplast System for Highly Efficient Transient Expression in Switchgrass (Panicum virgatum L.)

As a robust perennial C4-type monocot plant and a native species to North America, switchgrass (Panicum virgatum) has been evaluated and designated as a strong candidate bioenergy crop by the U.S. DOE. Although genetic modifications of switchgrass have been used to successfully reduce the recalcitrance of switchgrass biomass for biofuel production, the generation of transgenic switchgrass is still a slow and laborious process. A transient protoplast system can provide an excellent platform to accelerate the selection of genes-of-interest for tailoring switchgrass biomass. However, partially due to the lack of the complete genomic information, the attempts to optimize the transient protoplast system for switchgrass remain scarce. In this chapter, we provide an improved protocol for switchgrass protoplast isolation, increased transformation efficiency using CsCl gradient ultracentrifugation-derived plasmid DNA and extended application of the transient switchgrass protoplast system to analyze protein expression using western blot.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗
DOE OSTI2026

Quantum utility in simulating the real-time dynamics of the Fermi–Hubbard model using superconducting quantum computers

The Fermi–Hubbard model is a fundamental model in condensed matter physics that describes strongly correlated electrons. On the other hand, quantum computers are emerging as powerful tools for exploring the complex dynamics of these quantum many-body systems. In this work, we demonstrate the quantum simulation of the one-dimensional Fermi–Hubbard model using IBM's superconducting quantum computers, employing over 100 qubits. We introduce a first-order Trotterization scheme and extend it to an optimized second-order Trotterization for the time evolution in the Fermi–Hubbard model, specifically tailored for the limited qubit connectivity of quantum architectures, such as IBM's platforms. Notably, both Trotterization approaches are scalable and maintain a constant circuit depth at each Trotter step, regardless of the qubit count, enabling us to precisely investigate the relaxation dynamics in the Fermi–Hubbard model by measuring the expectation value of the Néel observable (staggered magnetization) for time-evolved quantum states. Lastly, our successful measurement of expectation values in such large-scale quantum many-body systems, especially at longer time scales with larger entanglement, highlights the quantum utility of superconducting quantum platforms over conventional classical approximation methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Low power implementation of high frequency SiPM readout for Cherenkov and scintillation detectors in TOF-PET

State-of-the-art (SoA) electronic readout for silicon photomultiplier (SiPM)-based scintillation detectors that demonstrate experimental limits in achievable coincidence time resolution (CTR) leverage low noise, high frequency signal processing to facilitate a single photon time response that is near the limit of the SiPMs architecture. This readout strategy can optimally exploit fast luminescence and prompt photon populations, and promising measurements show detector concepts employing this readout can greatly advance PET detector CTR, relative to SoA in clinical systems. However, the technique employs power hungry components which make the electronics chain impractical for channel-dense time-of-flight (TOF)-PET detectors. We have developed and tested a low noise and high frequency readout circuit which is performant at low power and consists of discrete elements with small footprints, making it feasible for integration into TOF-PET detector prototypes. A 3 × 3 mm 2 Broadcom SiPM with this readout chain exhibited sub-100 ps single photon time resolution at 10 mW of power consumption, with a relatively minor performance degradation to 120 ± 2 ps FWHM at 5 mW. CTR measurements with 3 × 3 × 20 mm 3 LYSO and fast LGSO scintillators demonstrated 127 ± 3 ps and 113 ± 2 ps FWHM at optimal power operation and 133 ± 2 ps and 121 ± 3 ps CTR at 5 mW. BGO crystals 3 × 3 × 20 mm 3 in size show 271 ± 5 ps FWHM CTR (1174 ± 14 ps full-width-at-tenth-maximum (FWTM)) at optimal power dissipation and 289 ± 8 ps (1296 ± 33 ps FWTM) at 5 mW. The compact and low power readout topology that achieves this performance thereby offers a platform to greatly advance PET system CTR and also opportunities to provide high performance TOF-PET at reduced material cost.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗