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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Assessment of Precipitating Marine Stratocumulus Clouds in the E3SMv1 Atmosphere Model: A Case Study from the ARM MAGIC Field Campaign

This paper presents a process-oriented evaluation of precipitating stratocumulus and its transition to cumulus in version 1 of the Energy Exascale Earth System Model (E3SMv1) using comprehensive case-study observations from a field campaign of the Atmospheric Radiation Measurement program (ARM). The E3SMv1 single-column model (SCM) of the marine boundary layer and its low clouds and precipitation are compared to observations including subcloud drizzle retrievals from a combination of Doppler radar and lidar backscatter measurements. Additionally, the SCM is also compared to a large-eddy simulation (LES) of the same case. The combination of advanced remote sensing observations and LES is a powerful framework to evaluate the physical parameterizations of large-scale models. Given the observed large-scale environment, the E3SMv1 SCM realistically represents the evolution of clouds and boundary layer structure during the stratocumulus-to-cumulus transition. The model well simulates the liquid water path and its diurnal cycle in the stratocumulus period as well as the two-layer vertical thermodynamic structure and lower cloud fraction in the transition period. E3SMv1’s success in simulating the cloud in the stratocumulus period permitted examination of its precipitation processes. Here problems were identified with E3SMv1 producing an unrealistically small subcloud precipitation fraction, an unrealistic double peak in the vertical profiles of precipitation mass, and drizzle that evaporates too close to the surface. Further model diagnostics determined that these unrealistic characteristics resulted from an overly long microphysics time step and an unrealistic parameterization of the precipitation fraction. These results imply that careful consideration of these issues is needed in order to better simulate precipitation processes in marine stratocumulus.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Interfacially Enhanced Superconductivity in Fe(Te,Se)/Bi 4 Te 3 Heterostructures

Realizing topological superconductivity by integrating high-transition-temperature (T C ) superconductors with topological insulators can open new paths for quantum computing applications. Here, a new approach is reported for increasing the superconducting transition temperature $T^{onset}_C$ by interfacing the unconventional superconductor Fe(Te,Se) with the topological insulator Bi–Te system in the low-Se doping regime, near where superconductivity vanishes in the bulk. The critical finding is that the $T^{onset}_C$ of Fe(Te,Se) increases from nominally non-superconducting to as high as 12.5 K when Bi 2 Te3 is replaced with the topological phase Bi 4 Te 3 . Interfacing Fe(Te,Se) with Bi4Te3 is also found to be critical for stabilizing superconductivity in monolayer films where $T^{onset}_C$ can be as high as 6 K. Measurements of the electronic and crystalline structure of the Bi 4 Te 3 layer reveal that a large electron transfer, epitaxial strain, and novel chemical reduction processes are critical factors for the enhancement of superconductivity. This novel route for enhancing T C in an important epitaxial system provides new insight on the nature of interfacial superconductivity and a platform to identify and utilize new electronic phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Reaction Evolution Flow Chart - The Critical Path to DDT [Slides]

Purpose (and limitations): The following flow-chart identifies and organizes a generalized, and simplified, sequence of necessary conditions for accidental ignition and reaction growth in a consolidated, polymer-bonded explosive (PBX) charge that has been insulted. A ‘yes’ answer to each question will lead down the critical path and produce violent, explosive reactions, up to and possibly including transition to detonation. Alternatively, any ‘no’ answer will serve as an off-ramp from the path resulting in less violent responses. It is important to note that this flow-chart is a high-level tool to flag potential operational vulnerabilities, but lacks the details needed to stand alone as a sole-source for risk determination. Each question represents a significant area of study and, therefore, the flow chart is intended to be supplemented by subject matter expert elicitations.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS2002

Experimental Investigation of Separated and Transitional Boundary Layers Under Low-Pressure Turbine Airfoil Conditions

Modern low-pressure turbine airfoils are subject to increasingly stronger pressure gradients as designers impose higher loading in an effort to improve efficiency and to reduce part count. The adverse pressure gradients on the suction side of these airfoils can lead to boundary-layer separation, particularly under cruise conditions. Separation bubbles, notably those which fail to reattach, can result in a significant degradation of engine efficiency. Accurate prediction of separation and reattachment is hence crucial to improved turbine design. This requires an improved understanding of the transition flow physics. Transition may begin before or after separation, depending on the Reynolds number and other flow conditions, has a strong influence on subsequent reattachment, and may even eliminate separation. Further complicating the problem are the high free-stream turbulence levels in a real engine environment, the strong pressure gradients along the airfoils, the curvature of the airfoils, and the unsteadiness associated with wake passing from upstream stages. Because of the complicated flow situation, transition in these devices can take many paths that can coexist, vary in importance, and possibly also interact, at different locations and instances in time. The present work was carried out in an attempt to systematically sort out some of these issues. Detailed velocity measurements were made along a flat plate subject to the same nominal dimensionless pressure gradient as the suction side of a modern low-pressure turbine airfoil ('Pak-B'). The Reynolds number based on wetted plate length and nominal exit velocity, Re, was varied from 50;000 to 300; 000, covering cruise to takeoff conditions. Low, 0.2%, and high, 7%, inlet free-stream turbulence intensities were set using passive grids. These turbulence levels correspond to about 0.2% and 2.5% turbulence intensity in the test section when normalized with the exit velocity. The Reynolds number and free-stream turbulence level do not have a significant effect on the location of boundary-layer separation unless they are high enough to induce transition upstream of separation. The location and extent of the transition zone, in contrast, depend strongly on Re and TI. The beginning of reattachment closely follows the onset of transition. Under low free-stream turbulence conditions the boundary layer is laminar at separation and then begins to exhibit fluctuations in a finite frequency band in the shear layer over the separation bubble. These fluctuations are due to instability waves. The fluctuations grow in magnitude, higher harmonics are generated, and finally lead to a breakdown to turbulence. Transition begins in the shear layer, but quickly spreads to the near wall region and causes the boundary layer to reattach. The transition is rapid and the resulting turbulence contains a full range of high and low frequencies. Under high free-stream turbulence conditions, slowly growing low-frequency fluctuations are induced in the pretransitional boundary layer by the free-stream. The separation bubbles are considerably thinner than in the low TI cases, resulting in thinner boundary layers at the end of the test wall. At Re=50,000 and 100,000, the pre-transitional boundary layer separates at about the same location as in the low TI cases. Transition occurs through a bypass mode, begins upstream of the corresponding low-TI location, and proceeds in a manner similar to that of an attached boundary layer. Under high TI at Re=200,000 and 300,000, transition begins before separation. The boundary layer may separate, but if it does the separation bubble is very short and does not significantly affect the downstream development of the boundary layer. A comparison is made to previous work in a simulated cascade.

Hultgren, Lennart S.↗
DOE OSTI2021

Neural Network Sampling of the Free Energy Landscape for Nitrogen Dissociation on Ruthenium

In heterogeneous catalysis, free energy profiles of reactions govern the mechanisms, rates, and equilibria. Energetics are conventionally computed using the harmonic approximation (HA), which requires determination of critical states a priori. Here, we use neural networks to efficiently sample and directly calculate the free energy surface (FES) of a prototypical heterogeneous catalysis reaction—the dissociation of molecular nitrogen on ruthenium—at density-functional-theory-level accuracy. We find that the vibrational entropy of surface atoms, often neglected in HA for transition metal catalysts, contributes significantly to the reaction barrier. The minimum free energy path for dissociation reveals an “on-top” adsorbed molecular state prior to the transition state. While a previously reported flat-lying molecular metastable state can be identified in the potential energy surface, it is absent in the FES at relevant reaction temperatures. Finally, these findings demonstrate the importance of identifying critical points self-consistently on the FES for reactions that involve considerable entropic effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Combined Cycle Engine Large-Scale Inlet for Mode Transition Experiments: System Identification Rack Hardware Design

The System Identification (SysID) Rack is a real-time hardware-in-the-loop data acquisition (DAQ) and control instrument rack that was designed and built to support inlet testing in the NASA Glenn Research Center 10- by 10-Foot Supersonic Wind Tunnel. This instrument rack is used to support experiments on the Combined-Cycle Engine Large-Scale Inlet for Mode Transition Experiment (CCE‒ LIMX). The CCE‒LIMX is a testbed for an integrated dual flow-path inlet configuration with the two flow paths in an over-and-under arrangement such that the high-speed flow path is located below the lowspeed flow path. The CCE‒LIMX includes multiple actuators that are designed to redirect airflow from one flow path to the other; this action is referred to as "inlet mode transition." Multiple phases of experiments have been planned to support research that investigates inlet mode transition: inlet characterization (Phase-1) and system identification (Phase-2). The SysID Rack hardware design met the following requirements to support Phase-1 and Phase-2 experiments: safely and effectively move multiple actuators individually or synchronously; sample and save effector control and position sensor feedback signals; automate control of actuator positioning based on a mode transition schedule; sample and save pressure sensor signals; and perform DAQ and control processes operating at 2.5 KHz. This document describes the hardware components used to build the SysID Rack including their function, specifications, and system interface. Furthermore, provided in this document are a SysID Rack effectors signal list (signal flow); system identification experiment setup; illustrations indicating a typical SysID Rack experiment; and a SysID Rack performance overview for Phase-1 and Phase-2 experiments. The SysID Rack described in this document was a useful tool to meet the project objectives.

Thomas, Randy↗
DOE OSTI2023

Emergence of a Spin Microemulsion in Spin-Orbit Coupled Bose-Einstein Condensates

We report the first numerical prediction of a “spin microemulsion”—a phase with undulating spin domains resembling classical bicontinuous oil-water-surfactant emulsions—in two-dimensional systems of spinor Bose-Einstein condensates with isotropic Rashba spin-orbit coupling. Using field-theoretic numerical simulations, we investigated the melting of a low-temperature stripe phase with supersolid character and find that the stripes lose their superfluidity at elevated temperature and undergo a Kosterlitz-Thouless-like transition into a spin microemulsion. Momentum distribution calculations highlight a thermally broadened occupation of the Rashba circle of low-energy states with macroscopic and isotropic occupation around the ring. Here, we provide a finite-temperature phase diagram that positions the emulsion as an intermediate, structured isotropic phase with residual quantum character before transitioning at higher temperature into a structureless normal fluid.

Finite temperature field theory↗
NASA NTRS2013

Advanced Shock Position Control for Mode Transition in a Turbine Based Combined Cycle Engine Inlet Model

A dual flow-path inlet system is being tested to evaluate methodologies for a Turbine Based Combined Cycle (TBCC) propulsion system to perform a controlled inlet mode transition. Prior to experimental testing, simulation models are used to test, debug, and validate potential control algorithms. One simulation package being used for testing is the High Mach Transient Engine Cycle Code simulation, known as HiTECC. This paper discusses the closed loop control system, which utilizes a shock location sensor to improve inlet performance and operability. Even though the shock location feedback has a coarse resolution, the feedback allows for a reduction in steady state error and, in some cases, better performance than with previous proposed pressure ratio based methods. This paper demonstrates the design and benefit with the implementation of a proportional-integral controller, an H-Infinity based controller, and a disturbance observer based controller.

Csank, Jeffrey T.↗
DOE OSTI2024

Predictions of Boron Phase Stability Using an Efficient Bayesian Machine Learning Interatomic Potential

Thermodynamic phase stability of three elemental boron allotropes, i.e., α-B, β-B, and γ-B, was investigated using a Bayesian interatomic potential trained via a sparse Gaussian process (SGP). SGP potentials trained with datasets from on-the-fly active learning achieve quantum mechanical level accuracy when employed in molecular dynamics simulations to predict wide-ranging thermodynamic, structural, and vibrational properties. The simulated phase diagram (500~1400 K and 0~16 GPa) agrees with experimental measurements. The SGP-based MD simulations also successfully predicted that the B13 defect is critical in stabilizing β-B below 700 K. At higher temperatures, the entropy becomes the dominant factor, making β-B the more stable phase over α-B. Furthermore, this Letter demonstrates that SGP potentials based on a training set consisting of defect-free-only systems could make correct predictions of defect-related phenomena in solid-state crystals, paving the path to investigate crystal phase stability and transitions.

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

Local lattice distortions drive the transition of BaIrO 3 into a ferromagnetic insulator state

Using variable temperature total and resonant x-ray scattering at the K edge of Ir species, we study the “bad metal” to insulator transition in BaIrO 3 , a canonical third transition series oxide. The usage of advanced experimental techniques and large-scale computer modeling helps us show that, contrary to the widely accepted view, charge disproportionation leading to the formation of Ir-trimers with a different number of 5d valence electrons already exists at room temperature. The charge disbalance between the trimers does not evolve much with decreasing temperature while local lattice distortions do, suggesting that the latter and not the former make a key contribution to the emergence of the enigmatic ferromagnetic insulator state of BaIrO 3 . The conclusion is supported by DFT calculations based on unmodified experimental structure data. Our work calls for a reconsideration of the role of lattice distortions in determining the electronic properties of third transition series oxides. It also charts a path to assessing these properties on a realistic and not assumed crystal structure basis.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mutations in the proximal binding site and F-loop of AdeJ confer resistance to efflux pump inhibitors

Multidrug efflux is one of the major mechanisms of antibiotic resistance in gram-negative bacteria. Inhibitors of efflux pumps potentiate the activities of antibiotics, and their discovery could lead to new therapeutic options. The AdeIJK pump in Acinetobacter baumannii is a promising target for efflux pump inhibitors (EPIs) due to its high clinical importance and conservation, and several classes of EPIs targeting this and other A. baumannii efflux transporters have been recently reported. However, the mechanisms of action of these EPIs and their resistance liability remain underexplored. Here, we analyzed the impact of site-specific substitutions in the substrate/EPI translocation path of the inner membrane transporter AdeJ on efflux of substrate antibiotics and fluorescent probes and activities of substituted 4,6-diaminoquinoline EPIs. We found that substitutions in amino acid residues located in the entrance cleft (R701) and the flexible loop (E675) of AdeJ lead to resistance specifically against biphenyl-substituted EPIs, whereas the substitution of F178 in the distal binding pocket increased AdeJ sensitivity to certain naphthyl- and biphenyl-substituted EPIs. No major differences in docking scores and poses of substrates and EPIs were observed between the wild type and corresponding AdeJ variants for any of the mutations considered. This study concludes that substrates and EPIs bound along the translocation path of AdeJ participate in its conformational transitions and can either increase or decrease the rate of transport and therefore the efficiency of EPIs.

Acinetobacter↗
DOE OSTI2024

Tailoring Carbide Dispersed Steels: A Path to Increased Strength and Hydrogen Tolerance

The use of transition metal carbides is reported for use as a hydrogen trapping mechanism for ferritic and austenitic steel materials. The program combined computational modeling and simulations to guide experiments towards candidate metal carbide traps, both for interfacial and interior trapping. It was found that interfacial trapping is less effective than interior trapping, with the group IVB transition metal carbides being the most effect internal traps with a loss of carbon. The sub-stoichiometric rocksalt structure accommodate the hydrogen atoms in its octahedral interstices. Using percolation theory, carbon loss of approximately 25% or more was sufficient to ensure an interconnected network of vacancies for such trapping from the surface to the internal sites within the carbide. Using this as a guide, the program developed a means to provide a uniform dispersion of ZrC nanoparticles with either Fe or 304L micron-scale powders which was then consolidated by direct current sintering. Electrolytic hydrogen diffusivity studies confirmed the reduction of hydrogen diffusion in the matrix with increasing ZrC content, which was a linear response over the sample range studied (0.01 to 1.0 wt.%). The consolidated material was micro-tensile tested in either a non-hydrogen or hydrogen charge condition and compared to a control with no carbides. Additions up to 0.05 wt.% ZrC increased the yield strength with no loss in ductility in either the non-hydrogen or hydrogen tested condition. ZrC concentrations above this amount further increased the yield strength at the expense of ductility. While these samples had a lower absolute ductility value prior to failure, the relative change in ductility between the non-hydrogen and hydrogen charge states was less for the carbides than that of the control. Metal-rich ZrC nanoparticles were fabricated through a conformal coating process yielding ZrC0.66 particles that were then incorporated into a metal matrix. Notch fatigue testing in a hydrogen environment was conducted where the number of cycles to failure was found to be less in the control than that of the carbide addition. However, the spread in experimental data and the number of samples tested limits a conclusive outcome based on defects noticed in the gauge section of all the powder processed samples. The collective outcomes of this report provide further insight into the mechanisms by which carbides act as hydrogen traps; a means to process such carbides through powder metallurgy; and their associated mechanical performance in either a non-hydrogen or hydrogen-charged condition.

08 HYDROGEN↗
NASA NTRS2011

Systems and methods for separating a multiphase fluid

Apparatus and methods for separating a fluid are provided. The apparatus can include a separator and a collector having an internal volume defined at least in part by one or more surfaces narrowing toward a bottom portion of the volume. The separator can include an exit port oriented toward the bottom portion of the volume. The internal volume can receive a fluid expelled from the separator into a flow path in the collector and the flow path can include at least two directional transitions within the collector.

Weislogel, Mark M.↗
NASA NTRS1984

High sensitivity laser interferometry for detection of boundary-layer transition

A high sensitivity laser interferometry for continuous monitoring of optical path changes is presented. The sensitivity to small changes in the optical path is achieved by means of a feedback system which keeps the interferometer at its maximum (and linear) position. Two experiments were designed to verify the interferometer's performance, both in direct and in scattering configurations. In each case, small temperature fluctuations were introduced as the signal source. Simultaneous measurement of temperature were compared with the results of the interferometer. Good correlation between the results were obtained. Finally, the application of the high sensitivity interferometer for detection of boundary-layer transition is examined. Optical signal strength and possible sources of noise are examined. Some methods of model surface preparation for enhancement of signal-to-noise ratio are discussed.

Modarress, D.↗
DOE OSTI2022

First-order and gradual phase transitions of ethane confined in MCM-41

The first-order phase transition of ethane confined in MCM-41, i.e., capillary condensation, has been measured using an isochoric cooling procedure by differential scanning calorimetry (DSC) under conditions ranging from 206 K and 1.1 bar up to the pore critical point (PCP). The PCP has also been determined using the three-line method developed earlier based on the vanishing heat of phase transition. As in the bulk phase, no first-order phase transition can occur above the critical point, which also implies that vapor can transform into liquid gradually by following a path around the critical point through the supercritical region. For the first time, the gradual phase transition is demonstrated with ethane in MCM-41, which is achieved through a multistep process with paths proceeding around the PCP without crossing the capillary-condensation curve. Finally, the occurrence of the gradual phase transition in nanopores, thus the confined supercriticality, is confirmed while our consistent DSC measurements are also well demonstrated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Shock Position Control for Mode Transition in a Turbine Based Combined Cycle Engine Inlet Model

A dual flow-path inlet for a turbine based combined cycle (TBCC) propulsion system is to be tested in order to evaluate methodologies for performing a controlled inlet mode transition. Prior to experimental testing, simulation models are used to test, debug, and validate potential control algorithms which are designed to maintain shock position during inlet disturbances. One simulation package being used for testing is the High Mach Transient Engine Cycle Code simulation, known as HiTECC. This paper discusses the development of a mode transition schedule for the HiTECC simulation that is analogous to the development of inlet performance maps. Inlet performance maps, derived through experimental means, describe the performance and operability of the inlet as the splitter closes, switching power production from the turbine engine to the Dual Mode Scram Jet. With knowledge of the operability and performance tradeoffs, a closed loop system can be designed to optimize the performance of the inlet. This paper demonstrates the design of the closed loop control system and benefit with the implementation of a Proportional-Integral controller, an H-Infinity based controller, and a disturbance observer based controller; all of which avoid inlet unstart during a mode transition with a simulated disturbance that would lead to inlet unstart without closed loop control.

Csank, Jeffrey T.↗
DOE OSTI2023

Delineating the Impact of Transition‐Metal Crossover on Solid‐Electrolyte Interphase Formation with Ion Mass Spectrometry

Abstract Lithium‐metal batteries (LMB) employing cobalt‐free layered‐oxide cathodes are a sustainable path forward to achieving high energy densities, but these cathodes exhibit substantial transition‐metal dissolution during high‐voltage cycling. While transition‐metal crossover is recognized to disrupt solid‐electrolyte interphase (SEI) formation on graphite anodes, experimental evidence is necessary to demonstrate this for lithium‐metal anodes. In this work, advanced high‐resolution 3D chemical analysis is conducted with time‐of‐flight secondary‐ion mass spectrometry (TOF‐SIMS) to establish spatial correlations between the transition metals and electrolyte decomposition products found on cycled lithium‐metal anodes. Insights into the localization of various chemistries linked to crucial processes that define LMB performance, such as lithium deposition, SEI growth, and transition‐metal deposition are deduced from a precise elemental and spatial analysis of the SEI. Heterogenous transition‐metal deposition is found to perpetuate both heterogeneous SEI growth and lithium deposition on lithium‐metal anodes. These correlations are confirmed across various lithium‐metal anodes that are cycled with different cobalt‐free cathodes and electrolytes. An advanced electrolyte that is stable to higher voltages is shown to minimize transition‐metal crossover and its effects on lithium‐metal anodes. Overall, these results highlight the importance of maintaining uniform SEI coverage on lithium‐metal anodes, which is disrupted by transition‐metal crossover during operation at high voltages.

Chemistry↗
NASA NTRS2024

Effect of the Liquid-Vacuum Transition on the Relative Abundances of Amino and Fatty Acids Sought as Biosignatures on Icy Ocean Worlds

Interpreting measurements by robotic missions searching for signs of life in material erupted by cryovolcanic ocean worlds (e.g., Enceladus, Europa, Ceres) requires linking the composition of this material to that of its subsurface liquid source. Irrespective of the properties of –and processes along– the path of ejection, material erupted on airless worlds undergoes a transition from liquid to vacuum. Here, we investigate experimentally the effect of a direct transition from liquid to vacuum environments on the relative abundances of amino and carboxylic (fatty) acids, a metric used to distinguish between biological and abiotic sources for these compounds. Amino acids were dissolved in parent solutions prepared with 1 wt.% NaCl and pH 9–10 to match properties inferred from Enceladus plume grains. Compositional analysis of the dry solids resulting from the injection of this solution into vacuum indicates a < 50% change in amino acid abundances relative to glycine. Injection of two fatty acids, phenylacetic acid (soluble and undersaturated in the parent solution) and palmitic acid (insoluble and supersaturated) resulted in a change of less than a factor of 7 in their relative abundances. At this bulk scale (all grains aggregated together), proportions of amino and fatty acids were sufficiently conserved to allow distinction between end-member example biological and abiotic sources. We did not find strong correlations between the relative enrichment or depletion of amino or fatty acids with molecular properties such as molecular mass, hydrophobicity, functionality, or charge, other than high under-or supersaturation. Most of the organic residue was deposited along the experimental injection path, which suggests that cryovolcanic conduit walls on icy ocean worlds may be enriched in organic material relative to material having undergone the liquid-vacuum transition.

Amino acids↗