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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Three-Wheel Brush-Wheel Sampler

A new sampler is similar to a common snow blower, but is robust and effective in sample collection. The brush wheels are arranged in a triangle shape, each driven by a brushless DC motor and planetary gearhead embedded in the wheel shaft. Its speed can be varied from 800 - 2,000 rpm, depending on the surface regolith resistance. The sample-collecting flow path, and internal features, are designed based on flow dynamics, and the sample-collecting rates have consistently exceeded the requirement under various conditions that span the range of expected surface properties. The brush-wheel sampler (BWS) is designed so that the flow channel is the main body of the apparatus, and links the brush-wheel assembly to the sample canister. The combination of the three brush wheels, the sample flow path, and the canister location make sample collection, storage, and transfer an easier task.

Duckworth, Geoffrey A.↗
NASA NTRS2014

3D-HST + CANDELS: the Evolution of the Galaxy Size-mass Distribution Since Z=3

Spectroscopic and photometric redshifts, stellar mass estimates, and rest-frame colors from the 3D-HST survey are combined with structural parameter measurements from CANDELS imaging to determine the galaxy size-mass distribution over the redshift (z) range 0 < z < 3. Separating early- and late-type galaxies on the basis of star-formation activity, we confirm that early-type galaxies are on average smaller than late-type galaxies at all redshifts, and find a significantly different rate of average size evolution at fixed galaxy mass, with fast evolution for the early-type population, effective radius is in proportion to (1 + z) (sup −1.48), and moderate evolution for the late-type population, effective radius is in proportion to (1 + z) (sup −0.75). The large sample size and dynamic range in both galaxy mass and redshift, in combination with the high fidelity of our measurements due to the extensive use of spectroscopic data, not only fortify previous results, but also enable us to probe beyond simple average galaxy size measurements. At all redshifts the slope of the size-mass relation is shallow, effective radius in proportion to mass of a black hole (sup 0.22), for late-type galaxies with stellar mass > 3 x 10 (sup 9) solar masses, and steep, effective radius in proportion to mass of a black hole (sup 0.75), for early-type galaxies with stellar mass > 2 x 10 (sup 10) solar masses. The intrinsic scatter is approximately or less than 0.2 decimal exponents for all galaxy types and redshifts. For late-type galaxies, the logarithmic size distribution is not symmetric, but skewed toward small sizes: at all redshifts and masses a tail of small late-type galaxies exists that overlaps in size with the early-type galaxy population. The number density of massive (approximately 10 (sup 11) solar masses), compact (effective radius less than 2 kiloparsecs) early-type galaxies increases from z = 3 to z = 1.5 − 2 and then strongly decreases at later cosmic times.

EVOLUTION↗
NASA NTRS2018

Front Delineation and Tracking with Multiple Underwater Vehicles

This work describes a method for detecting and tracking ocean fronts using multiple autonomous underwater vehicles. Multiple vehicles — equally-spaced along the expected frontal boundary — complete near parallel transects orthogonal to the front. Lateral gradients are used to determine the location of the front crossing from each individual vehicle transect by detecting a change in the observed water property. Adaptive control of the vehicles ensure they remain perpendicular to the estimated front boundary as it evolves over time. This method was demonstrated in and around Monterey Bay, California in May of 2017. We compare the front detection method to previously used methods. We introduce a metric in order to evaluate the adaptive control techniques presented. We show the capability of this method for repeated sampling across a dynamic two-dimensional ocean front using short-range Iver AUVs. This method extends to tracking gradients of different properties using a variety of vehicles.

Chavez, Francisco P.↗
NASA NTRS2018

Planning and Execution for Front Delineation and Tracking with Multiple Underwater Vehicles

This work describes a planning architecture for a heterogeneous fleet of marine assets as well as a method for detecting and tracking ocean fronts using multiple autonomous underwater vehicles. Multiple vehicles — equally-spaced along the expected frontal boundary — complete near parallel transects orthogonal to the front. Lateral gradients are used to determine the location of the front crossing from each individual vehicle transect by detecting a change in the observed water property. Adaptive control of the vehicles ensure they remain perpendicular to the estimated frontal boundary as it evolves over time. This method was demonstrated in several experiment periods totaling weeks, in and around Monterey Bay, California in May and June of 2017. We discuss the challenges associated with the implementation of the planning system. We show the capability of this method for repeated sampling across a dynamic two-dimensional ocean front using a fleet of three types of platforms: short-range Iver AUVs, Tethys-Class Long-Range AUVs, and Seagliders. This method extends to tracking gradients of different properties using a variety of vehicles.

Chavez, Francisco P.↗
NASA NTRSDate not supplied

An Overview of Ground-Based Radar and Optical Measurements Utilized By the Nasa Orbital Debris Program Office

For over 30 years, the NASA Orbital Debris Program Office (ODPO) has led the characterization of orbital debris (OD) too small to be tracked by the U.S. Space Surveillance Network (SSN), yet which may pose the greatest threat to human spaceflight and robotic missions. Measurements from specialized sensors, including ground-based radars and telescopes capable of detecting smaller objects, provide the foundation for developing statistical models to describe the current state and future evolution of the OD environment from low Earth orbit (LEO) to geosynchronous Earth orbit (GEO). Since 1990, the ODPO has partnered with the U.S. Department of Defense and the Massachusetts Institute of Technology Lincoln Laboratory (MIT/LL) to collect data using the Haystack Ultrawideband Satellite Imaging Radar (HUSIR) – formerly Haystack – to characterize OD in LEO with a sensitivity of approximately 5 mm at 1000 km altitude. In addition, since 1993, the Goldstone Orbital Debris Radar, operated by NASA’s Jet Propulsion Laboratory, has provided data on OD as small as approximately 2-3 mm for altitudes below 1000 km, some of the most sensitive ground-based measurements achievable at these altitudes. Recently, collaborations with the 18 th Space Control Squadron of the U.S. Space Force have also provided the ODPO with special datasets from the Space Fence to extend coverage below the historical SSN limit of 10 cm and to characterize individual breakup events in LEO. For GEO altitudes, the Eugene Stansbery Meter Class Autonomous Telescope (ES-MCAT), a joint NASA-Air Force Research Laboratory project that reached full operational capability in 2021, collects data on debris smaller than 1 m and provides coverage of debris in historically under-sampled high-altitude orbital regimes. This paper summarizes the radar and optical sensors utilized by the ODPO, their unique capabilities, and recent datasets and applications for statistical sampling of the dynamic OD environment.

Alyssa Manis↗
NASA NTRSDate not supplied

An Overview of Ground-Based Radar and Optical Measurements Utilized By the Nasa Orbital Debris Program Office

For over 30 years, the NASA Orbital Debris Program Office (ODPO) has led the characterization of orbital debris (OD) too small to be tracked by the U.S. Space Surveillance Network (SSN), yet which may pose the greatest threat to human spaceflight and robotic missions. Measurements from specialized sensors, including ground-based radars and telescopes capable of detecting smaller objects, provide the foundation for developing statistical models to describe the current state and future evolution of the OD environment from low Earth orbit (LEO) to geosynchronous Earth orbit (GEO). Since 1990, the ODPO has partnered with the U.S. Department of Defense and the Massachusetts Institute of Technology Lincoln Laboratory (MIT/LL) to collect data using the Haystack Ultrawideband Satellite Imaging Radar (HUSIR) – formerly Haystack – to characterize OD in LEO with a sensitivity of approximately 5 mm at 1000 km altitude. In addition, since 1993, the Goldstone Orbital Debris Radar, operated by NASA’s Jet Propulsion Laboratory, has provided data on OD as small as approximately 2-3 mm for altitudes below 1000 km, some of the most sensitive ground-based measurements achievable at these altitudes. Recently, collaborations with the 18 th Space Control Squadron of the U.S. Space Force have also provided the ODPO with special datasets from the Space Fence to extend coverage below the historical SSN limit of 10 cm and to characterize individual breakup events in LEO. For GEO altitudes, the Eugene Stansbery Meter Class Autonomous Telescope (ES-MCAT), a joint NASA-Air Force Research Laboratory project that reached full operational capability in 2021, collects data on debris smaller than 1 m and provides coverage of debris in historically under-sampled high-altitude orbital regimes. This paper summarizes the radar and optical sensors utilized by the ODPO, their unique capabilities, and recent datasets and applications for statistical sampling of the dynamic OD environment.

Alyssa Manis↗
DOE OSTI2024

The right conditions for high-precision dynamic temperature and heat capacity measurement via pyrometry and conductivity

The pursuit of accurate bulk temperature T under extreme conditions has been a long-standing goal of the high pressure science community, complicated by a lack of data to inform models. To reach these extremely high-pressure, high-temperature (high P − T) conditions, a combination of dynamic and heated static experiments (e.g., diamond or gem anvil cel experiments) are used. For example, in a diamond anvil cell (DAC) experiment, a sample placed in the DAC is first pressurized. Following pressurization, the sample T is increased either by heating the entire DAC (usually using resistive heating, and limited to ∼1000K) or by applying intense laser power to the sample surfaces. In a dynamic experiment, the process of pressurizing the sample also heats it. In the case of shock physics experiments, such heating is substantial, easily reaching thousands of Kelvin; in our work we have seen T ∼17000K. Most methods of measuring temperature at ambient are not compatible with experiments under these high-pressure, high-temperature conditions: thermocouples break, melt, or have conductivity properties that differ from ambient where they are calibrated; thermometers would melt; both are too slow. As a result most methods are based on non-contact techniques such as x-ray diffraction broadening, neutron scattering, or optical methods. Of these, optical methods using the visible and near-infrared region of the spectrum are the most commonly used as the sources and detectors are readily available. In the case of optical methods the optical depth, and therefore the measurement location, is limited to the surface. When a window or anvil material is used, heat flows from the sample into the window/anvil. Likewise, if the sample undergoes a change in thermodynamic state, such as expansion upon release, different T may be expected. As a result, the surface or apparent temperature T app measurement will differ from the bulk or interior temperature that is desired. This surface measurement must be related to the bulk measurement using thermal transport models and material models. While it is tempting to conclude that one should just use x-ray methods that directly probe the interior, even these methods have been shown to depend on thermal transport and material models. Regardless of the method used to create the high P − T condition, therefore, we must understand the role of thermal transport and material models upon our interpretation of the T measurement, as well as the errors and uncertainties associated with the choice of models used in the analysis. This is a substantial area of research and this paper is by no means a complete survey of the relevant sources of uncertainty. For example, we have yet to begin to address alternate transport models in a detailed manner (e.g., Tan-Ahrens), or the many models that use additional layers to approximate melting, turbulence, or epitaxial phenomena). Likewise, we have not explored the impact upon uncertainty of thermal models that use temperature-dependent thermal transport coefficients, or the wide range of material models that can be applied. Instead, this paper focuses on using one simple model, the Urtiew-Grover model, to understand the sources of error in T measurement so that we may identify how best to focus future research efforts to return the best improvements and avoid working on over-optimizing a single type of measurement. To this end, we work through some of the best and worst case scenarios for T measurement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

The Microbial Community and Functional Potential in the Midland Basin Reveal a Community Dominated by Both Thiosulfate and Sulfate-Reducing Microorganisms

The Permian Basin is the highest producing oil and gas reservoir in the United States. Hydrocarbon resources in this region are often accessed by unconventional extraction methods, including horizontal drilling and hydraulic fracturing. Despite the importance of the Permian Basin, there is no publicly available microbiological data from this region. We completed an analysis of Permian produced water samples to understand the dynamics present in hydraulically fractured wells in this region. We analyzed produced water samples taken from 10 wells in the Permian region of the Midland Basin using geochemical measurements, 16S rRNA gene sequencing, and metagenomic sequencing. Compared to other regions, we found that Permian Basin produced water was characterized by higher sulfate and lower total dissolved solids (TDS) concentrations, with a median of 1,110 mg/L and 107,000 mg/L. Additionally, geochemical measurements revealed the presence of frac hits, or interwell communication events where an established well is affected by the pumping of fracturing fluid into a new well. The occurrence of frac hits was supported by correlations between the microbiome and the geochemical parameters. Our 16S rRNA gene sequencing identified a produced water microbiome characterized by anaerobic, halophilic, and sulfur reducing taxa. Interestingly, sulfate and thiosulfate reducing taxa including Halanaerobium, Orenia, Marinobacter, and Desulfohalobium were the most prevalent microbiota in most wells. We further investigated the metabolic potential of microorganisms in the Permian Basin with metagenomic sequencing. We recovered 15 metagenome assembled genomes (MAGs) from seven different samples representing 6 unique well sites. These MAGs corroborated the high presence of sulfate and thiosulfate reducing genes across all wells, especially from key taxa including Halanaerobium and Orenia. The observed microbiome composition and metabolic capabilities in conjunction with the high sulfate concentrations demonstrate a high potential for hydrogen sulfide production in the Permian Basin. Additionally, evidence of frac hits suggests the possibility for the exchange of microbial cells and/or genetic information between wells. This exchange would increase the likelihood of hydrogen sulfide production and has implications for the oil and gas industry.

16S RNA↗
DOE OSTI2023

Uncertainty-driven dynamics for active learning of interatomic potentials

Machine learning (ML) models, if trained to data sets of high-fidelity quantum simulations, produce accurate and efficient interatomic potentials. Active learning (AL) is a powerful tool to iteratively generate diverse data sets. In this approach, the ML model provides an uncertainty estimate along with its prediction for each new atomic configuration. If the uncertainty estimate passes a certain threshold, then the configuration is included in the data set. Here we develop a strategy to more rapidly discover configurations that meaningfully augment the training data set. The approach, uncertainty-driven dynamics for active learning (UDD-AL), modifies the potential energy surface used in molecular dynamics simulations to favor regions of configuration space for which there is large model uncertainty. The performance of UDD-AL is demonstrated for two AL tasks: sampling the conformational space of glycine and sampling the promotion of proton transfer in acetylacetone. The method is shown to efficiently explore the chemically relevant configuration space, which may be inaccessible using regular dynamical sampling at target temperature conditions.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1991

Progress in multirate digital control system design

A new methodology for multirate sampled-data control design based on a new generalized control law structure, two new parameter-optimization-based control law synthesis methods, and a new singular-value-based robustness analysis method are described. The control law structure can represent multirate sampled-data control laws of arbitrary structure and dynamic order, with arbitrarily prescribed sampling rates for all sensors and update rates for all processor states and actuators. The two control law synthesis methods employ numerical optimization to determine values for the control law parameters. The robustness analysis method is based on the multivariable Nyquist criterion applied to the loop transfer function for the sampling period equal to the period of repetition of the system's complete sampling/update schedule. The complete methodology is demonstrated by application to the design of a combination yaw damper and modal suppression system for a commercial aircraft.

Berg, Martin C.↗
NASA NTRS2011

Jitter Correction

Jitter_Correct.m is a MATLAB function that automatically measures and corrects inter-frame jitter in an image sequence to a user-specified precision. In addition, the algorithm dynamically adjusts the image sample size to increase the accuracy of the measurement. The Jitter_Correct.m function takes an image sequence with unknown frame-to-frame jitter and computes the translations of each frame (column and row, in pixels) relative to a chosen reference frame with sub-pixel accuracy. The translations are measured using a Cross Correlation Fourier transformation method in which the relative phase of the two transformed images is fit to a plane. The measured translations are then used to correct the inter-frame jitter of the image sequence. The function also dynamically expands the image sample size over which the cross-correlation is measured to increase the accuracy of the measurement. This increases the robustness of the measurement to variable magnitudes of inter-frame jitter

Waegell, Mordecai J.↗
DOE OSTI2018

Implementation of replica-exchange umbrella sampling in GAMESS

In GAMESS-US quantum chemistry package, both replica-exchange molecular dynamics (REMD) and the umbrella sampling (US) methods are available. However, prior to this work, the replica-exchange umbrella sampling (REUS) method, combining REMD and US, was not implemented. Here, REUS affords a more efficient conformational sampling than the conventional US method and is often used in MD simulations. We implemented REUS in GAMESS-US and improved some routines of the existing REMD code. A density-functional tight-binding REMD (DFTB-REMD) simulation of alanine deca-peptide and a DFTB-MD REUS simulation of proton transfer in malonaldehyde were performed. The results of DFTB-MD REUS simulations performed with three different simulation packages were compared to validate our GAMESS-US implementation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Chloride Ion Transport by the E. coli CLC Cl – /H + Antiporter: A Combined Quantum-Mechanical and Molecular-Mechanical Study

We performed steered molecular dynamics (SMD) and umbrella sampling simulations of Cl – ion migration through the transmembrane domain of a prototypical E. coli CLC Cl – /H + antiporter by employing combined quantum-mechanical (QM) and molecular-mechanical (MM) calculations. The SMD simulations revealed interesting conformational changes of the protein. While no large-amplitude motions of the protein were observed during pore opening, the side chain rotation of the protonated external gating residue Glu148 was found to be critical for full access of the channel entrance by Cl – . Moving the anion into the external binding site (S ext ) induced small-amplitude shifting of the protein backbone at the N-terminal end of helix F. As Cl – traveled through the pore, rigid-body swinging motions of helix R separated it from helix D. Helix R returned to its original position once Cl – exited the channel. Population analysis based on polarized wavefunction from QM/MM calculations discovered significant (up to 20%) charge loss for Cl – along the ion translocation pathway inside the pore. The delocalized charge was redistributed onto the pore residues, especially the functional groups containing π bonds (e.g., the Tyr445 side chain), while the charges of the H atoms coordinating Cl – changed almost negligibly. Potentials of mean force computed from umbrella sampling at the QM/MM and MM levels both displayed barriers at the same locations near the pore entrance and exit. However, the QM/MM PMF showed higher barriers (~10 kcal/mol) than the MM PMF (~2 kcal/mol). Binding energy calculations indicated that the interactions between Cl – and certain pore residues were overestimated by the semi-empirical PM 3 Hamiltonian and underestimated by the CHARMM36 force fields, both of which were employed in the umbrella sampling simulations. In particular, CHARMM36 underestimated binding interactions for the functional groups containing π bonds, missing the stabilizations of the Cl – ion due to electron delocalization. The results suggested that it is important to explore these quantum effects for accurate descriptions of the Cl – transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Trace explosive residue detection of HMX and RDX in post-detonation dust from an open-air environment

Explosives are often used in industry, geology, mining, and other applications, but it is not always clear what remains after a detonation or the fate and transport of any residual material. The goal of this study was to determine to what extent intact molecules of high explosive (HE) compounds are detectable and quantifiable from post-detonation dust and particulates in a field experiment with varied topography. We focused on HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocane), which is less studied in field detonation literature, as the primary explosive material and RDX (1,3,5-Trinitroperhydro-1,3,5-triazine) as the secondary material. The experiment was conducted at Site 300, Lawrence Livermore National Laboratory’s Experimental Test Site, in California, USA. Two 20.4 kg and one 40.8 kg above ground explosions (primarily comprised of LX-14, an HMX-based polymer-bonded high explosive) were detonated on an open-air firing area on separate days. The complex terrain of the firing area (e.g., buildings, berm, low-height obstacles) was advantageous to study HE deposition in relation to plume dynamics. Three types of samples were collected up to 100 m away from each shot: surface swipes of aluminum plates, surface swipes of fixed objects, and filters from air samples. We used atmospheric flow tube-mass spectrometry (AFT-MS) to quantify picogram levels of molecular residue of HE material in the post-detonation dust. An aliquot of sample extract in methanol (e.g., 1 µL of 0.5 mL) was placed onto a resistive material and then thermally desorbed into the AFT-MS. We successfully detected and quantified both HMX and RDX in many of the samples. Based on mass (pg) detected and solution dilution, we back-calculated the mass collected on the swipe or filter (ng per sample). The aerial distribution of molecular residue was consistent with the path of the plume, which was strongly determined by wind speed and direction at the time of each shot. The quantity of material detected appeared to correlate more with distance from the shot and the wind conditions than with shot size. This study demonstrates that the picogram detection levels of AFT-MS are well-suited for quantification of analytes (e.g., HMX and RDX) in environmental samples.

atmospheric flow tube-mass spectrometry (AFT-MS), ↗
NASA NTRS1989

Densitometry By Acoustic Levitation

"Static" and "dynamic" methods developed for measuring mass density of acoustically levitated solid particle or liquid drop. "Static" method, unknown density of sample found by comparison with another sample of known density. "Dynamic" method practiced with or without gravitational field. Advantages over conventional density-measuring techniques: sample does not have to make contact with container or other solid surface, size and shape of samples do not affect measurement significantly, sound field does not have to be know in detail, and sample can be smaller than microliter. Detailed knowledge of acoustic field not necessary.

Trinh, Eugene H.↗
DOE OSTI2022

Trajectory Ensemble Methods Provide Single-Molecule Statistics for Quantum Dynamical Systems

The emergence of experiments capable of probing quantum dynamics at the single-molecule level requires the development of new theoretical tools capable of simulating and analyzing these dynamics beyond an ensemble-averaged description. In this article, we present an efficient method for sampling and simulating the dynamics of the individual quantum systems that make up an ensemble and apply it to study the nonequilibrium dynamics of the ubiquitous spin-boson model. We generate an ensemble of single-system trajectories, and we analyze this trajectory ensemble using tools from classical statistical mechanics. Our results demonstrate that the dynamics of quantum coherence is highly heterogeneous at the single-system level due to variations in the initial bath configuration, which significantly affects the transient exchange of coherence between the system and its bath. Here, we observe that single systems tend to retain coherence over time scales longer than that of the ensemble. We also compute a novel thermodynamic entanglement entropy that quantifies a thermodynamic driving force favoring system–bath entanglement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

Insights into Regolith Dynamics from the Irradiation Record Preserved in Hayabusa Samples

The rates of space weathering processes are poorly constrained for asteroid surfaces, with recent estimates ranging over 5 orders of magnitude. The return of the first surface samples from a space-weathered asteroid by the Hayabusa mission and their laboratory analysis provides "ground truth" to anchor the timescales for space weathering. We determine the rates of space weathering on Itokawa by measuring solar flare track densities and the widths of solar wind damaged rims on grains. These measurements are made possible through novel focused ion beam (FIB) sample preparation methods.

Keller, Lindsay P.↗