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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Polariton-assisted incoherent to coherent excitation energy transfer between colloidal nanocrystal quantum dots

Here, we explore the dynamics of energy transfer between two nanocrystal quantum dots placed within an optical microcavity. By adjusting the coupling strength between the cavity photon mode and the quantum dots, we have the capacity to fine-tune the effective coupling between the donor and acceptor. Introducing a non-adiabatic parameter, γ, governed by the coupling to the cavity mode, we demonstrate the system’s capability to shift from the overdamped Förster regime (γ $\ll$ 1) to an underdamped coherent regime (γ $\gg$ 1). In the latter regime, characterized by swift energy transfer rates, the dynamics are influenced by decoherence time. To illustrate this, we study the exciton energy transfer dynamics between two closely positioned CdSe/CdS core/shell quantum dots with sizes and separations relevant to experimental conditions. Employing an atomistic approach, we calculate the excitonic level arrangement, exciton–phonon interactions, and transition dipole moments of the quantum dots within the microcavity. These parameters are then utilized to define a model Hamiltonian. Subsequently, we apply a generalized non-Markovian quantum Redfield equation to delineate the dynamics within the polaritonic framework.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Analysis and test for space shuttle propellant dynamics: 1/60th scale model test results

During the abort sequence, the ET and orbiter separate under aerodynamic loading, with propellant remaining in the ET. The separation event included a seven second decelerating coast period during which the residual propellant accelerates relative to the ET/orbiter. At separation, ET clearance was primarily provided by aerodynamics acting on the ET to move it away. The motion of the propellant, primarily LOX, significantly influenced the resulting ET motion and could cause the ET to recontact the orbiter. A test program was conducted involving thirty-two drops with 1/60th scale models of the ET LOX tank. The objective was to acquire data on the nature of low g propellant reorientation, in the ET LOX tank, and to measure the forces exerted on the tank by the moving propellant.

Berry, R. L.↗
DOE OSTI2024

Sulfonated polybenzimidazole membrane with graphene oxide additive for 2,3-butanediol/water separation: A molecular simulation

Membrane separation for 2,3-butanediol (2,3-BDO) recovery from fermentation broth is highly valued for sustainable and renewable processes, but it requires efficient membrane materials. Here, this work evaluates the sulfonated polybenzimidazole (sPBI) and its graphene oxide (GO) doped composite membrane for separating 2,3-BDO and water via atomistic simulations. Density functional theory calculations are applied to identify various forms of sPBI structures and quantify their binding interactions with 2,3-BDO and water. Classical molecular dynamic simulations are used to evaluate the structural changes, diffusivity, and selectivity of 2,3-BDO and water in different sPBI models, GO surfaces, and GO-doped sPBI composite models. Our results suggest that sPBI slightly increases the crystallinity of the membrane structures, enhances the adsorption strength for both 2,3-BDO and water, and improves the water/2,3-BDO selectivity by 2–3 times. The GO surfaces display a maximum selectivity at a surface coverage of 0.1–0.15 for both hydroxyl and epoxy surface groups. The addition of GO flakes to sPBI creates new interaction sites for 2,3-BDO and water at the interface of sPBI and GO, and the water/2,3-BDO selectivity of GO-doped sPBI models is further increased up to 3 times. This work illustrates how the integrated addition of sPBI and GO flakes offers a promising approach to selective separation of 2,3-BDO and water, providing theoretical guidance for polybenzimidazole-based membranes in the potential application of 2,3-BDO recovery.

2,3-butanediol↗
DOE OSTI2026

Effects of Composition and Oxidation States on the Structures of Chromium-Containing Sodium Silicate Glasses: Molecular Dynamics Simulations using Machine Learning Interatomic Potentials

Chromium represents a significant challenge for the vitrification of high-level nuclear waste into silicate and borosilicate glasses due to its low solubility and variable oxidation states, which can limit the waste loading due to promotion of crystallization or phase separation during processing. In this study, we modeled chromium containing silicate glasses using molecular dynamics simulations with three machine learning interatomic potentials (MLIPs), MACE, CHGNet, and PFP were employed, to gain insights on glass composition and oxidation states on the structures of these glasses. One of the goals is to evaluate their ability of these MLIPs to accurately represent the general structure of silicate glasses and chromium local environments as a function of chromium oxidation states. Density Functional Theory (DFT) based calculations and experimental data such as neutron structure factors were used to validate the structural models. It was found that the foundation models of all three MLIPs are able to reproduce general structural features of the sodium silicate glass structure consistent with experimental and DFT data, but only CHGNet and PFP can accurately capture the oxidation states and local environment of chromium: tetrahedral for Cr6+ and octahedral for Cr3+. Furthermore, we studied the effect of varying Cr3+/ Cr6+ (Cr3+/Crtotal) ratio and total chromium content using PFP. Our results show that Cr6+ enhances network polymerization by reducing non-bridging oxygens through Na? charge compensation required due to the formation of chromate (CrO42-) species, while Cr³? acts as a network modifier that disrupts connectivity. System size effects on the structural characteristics and chromium environments were also tested using the PFP potential. This work highlights the importance of careful validation on the precision, transferability, and potential of MLIPs for modeling glasses containing transition metal elements that can exist in multiple oxidation states. It is also encouraging to see the foundational models are all three MLFFs are able to reproduce the basic sodium silicate glass structures, while suggesting additional training or refining is needed to improve the description of more complex systems containing transition metals.

Puga, Christina L.↗
DOE OSTI2024

Efficient and Robust Dynamic Crosslinking for Compatibilizing Immiscible Mixed Plastics through In Situ Generated Singlet Nitrenes

Abstract Creating a sustainable economy for plastics demands the exploration of new strategies for efficient management of mixed plastic waste. The inherent incompatibility of different plastics poses a major challenge in plastic mechanical recycling, resulting in phase‐separated materials with inferior mechanical properties. Here, this study presents a robust and efficient dynamic crosslinking chemistry that effectively compatibilizes mixed plastics. Composed of aromatic sulfonyl azides, the dynamic crosslinker shows high thermal stability and generates singlet nitrene species in situ during solvent‐free melt‐extrusion, effectively promoting C─H insertion across diverse plastics. This new method demonstrates successful compatibilization of binary polymer blends and model mixed plastics, enhancing mechanical performance and improving phase morphology. It holds promise for managing mixed plastic waste, supporting a more sustainable lifecycle for plastics.

Chemistry↗
DOE OSTI2025

Deep reinforcement learning control for co-optimizing energy consumption, thermal comfort, and indoor air quality in an office building

With the recent demand for decarbonization and energy efficiency, advanced HVAC control using Deep Reinforcement Learning (DRL) becomes a promising solution. Due to its flexible structures, DRL has been successful in energy reduction for many HVAC systems. However, only a few researches applied DRL agents to manage the entire central HVAC system and control multiple components in both the water loop and the air loop, owing to its complex system structures. Moreover, those researches have not extended their applications by incorporating the indoor air quality, especially both CO2 and PM2.5concentrations, on top of energy saving and thermal comfort, as achieving those objectives simultaneously can cause multiple control conflicts. What's more, DRL agents are usually trained on the simulation environment before deployment, so another challenge is to develop an accurate but relatively simple simulator. Therefore, we propose a DRL algorithm for a central HVAC system to co-optimize energy consumption, thermal comfort, indoor CO2 level, and indoor PM2.5 level in an office building. To train the controller, we also developed a hybrid simulator that decoupled the complex system into multiple simulation models, which are calibrated separately using laboratory test data. The hybrid simulator combined the dynamics of the HVAC system, the building envelope, as well as moisture, CO2, and particulate matter transfer. Three control algorithms (rule-based, MPC, and DRL) are developed, and their performances are evaluated on the hybrid simulator environment with a realistic scenario (i.e., with stochastic noises). The test results showed that, the DRL controller can save 21.4 % of energy compared to a rule-based controller, and has improved thermal comfort, reduced indoor CO2 concentration. The MPC controller showed an 18.6 % energy saving compared to the DRL controller, mainly due to savings from comfort and indoor air quality boundary violations caused by unmeasured disturbances, and it also highlights computational challenges in real-time control due to non-linear optimization. Finally, we provide the practical considerations for designing and implementing the DRL and MPC controllers based on their respective pros and cons.

Guo, Fangzhou↗
DOE OSTI2025

Dynamical Ion Correlations in Polymer and Membrane Electrolytes: Recent Advances and Open Questions

Ion transport in polymer and membrane electrolytes is often described using uncorrelated models like the Nernst–Einstein (NE) approximation, which link conductivity, transference number, and salt diffusivity to individual ion mobilities. However, growing evidence shows that dynamical ion correlations─arising from ion pairing, polymer-mediated coupling, confinement, and electrostatic interactions─can substantially alter macroscopic transport properties. The Onsager transport formalism offers a rigorous framework to quantify these effects via cross-correlated ionic displacements. This Perspective highlights how such correlations manifest across dry and hydrated systems, including salt-doped polymers, block copolymers, hydrogels, and ion-exchange membranes. Here, we examine key physical origins, the influence of salt chemistry and polymer structure, and open questions in measuring and controlling correlated motion. Embracing correlation-aware design enables new pathways to optimize conductivity, transference number, and selectivity─shifting the focus from individual ion mobility to engineered collective dynamics for next-generation electrolytes in energy storage and separations.

Charge transport↗
NASA NTRS1974

Fluid management systems technology summaries

A summarization and categorization of the pertinent literature associated with fluid management systems technology having potential application to in-orbit fluid transfer and/or associated storage are presented. A literature search was conducted to obtain pertinent documents for review. Reports determined to be of primary significance were summarized in the following manner: (1) report identification, (2) objective(s) of the work, (3) description of pertinent work performed, (4) major results, and (5) comments of the reviewer. Pertinent figures are presented on a single facing page separate from the text. Specific areas covered are: fluid line dynamics and thermodynamics, low-g mass gauging, other instrumentation, stratification/pressurization, low-g vent systems, fluid mixing refrigeration and reliquefaction, and low-g interface control and liquid acquisition systems. Reports which were reviewed and not summarized, along with reasons for not summarizing, are also listed.

Stark, J. A.↗
NASA NTRS1982

Numerical investigation of supersonic base flow with parallel injection

The present investigation represents the first detailed numerical calculations of base flow with gas injection using a geometry and primary flow condition germane to a scramjet combustor. The investigation is concerned with the numerical solution of the complete two-dimensional Navier-Stokes equations for the flowfield in the vicinity of the base with parallel gas injection, taking into account the fluid dynamic aspects of this flowfield. The flow is dominated by separation, and by mixed regions of locally subsonic and supersonic flow. A comparison is conducted of flows with and without injection, and the effect of base injection on the wave patterns and shear layers of such flows is clearly established.

Sullins, G. A.↗
NASA NTRS1983

Reliability analysis and fault-tolerant system development for a redundant strapdown inertial measurement unit

A methodology is developed and applied for quantitatively analyzing the reliability of a dual, fail-operational redundant strapdown inertial measurement unit (RSDIMU). A Markov evaluation model is defined in terms of the operational states of the RSDIMU to predict system reliability. A 27 state model is defined based upon a candidate redundancy management system which can detect and isolate a spectrum of failure magnitudes. The results of parametric studies are presented which show the effect on reliability of the gyro failure rate, both the gyro and accelerometer failure rates together, false alarms, probability of failure detection, probability of failure isolation, and probability of damage effects and mission time. A technique is developed and evaluated for generating dynamic thresholds for detecting and isolating failures of the dual, separated IMU. Special emphasis is given to the detection of multiple, nonconcurrent failures. Digital simulation time histories are presented which show the thresholds obtained and their effectiveness in detecting and isolating sensor failures.

Motyka, P.↗
NASA NTRS1986

Airborne Thermal Infrared Multispectral Scanner (TIMS) images over disseminated gold deposits, Osgood Mountains, Humboldt County, Nevada

The U.S. Geological Survey (USGS) acquired airborne Thermal Infrared Multispectral Scanner (TIMS) images over several disseminated gold deposits in northern Nevada in 1983. The aerial surveys were flown to determine whether TIMS data could depict jasperoids (siliceous replacement bodies) associated with the gold deposits. The TIMS data were collected over the Pinson and Getchell Mines in the Osgood Mountains, the Carlin, Maggie Creek, Bootstrap, and other mines in the Tuscarora Mountains, and the Jerritt Canyon Mine in the Independence Mountains. The TIMS data seem to be a useful supplement to conventional geochemical exploration for disseminated gold deposits in the western United States. Siliceous outcrops are readily separable in the TIMS image from other types of host rocks. Different forms of silicification are not readily separable, yet, due to limitations of spatial resolution and spectral dynamic range. Features associated with the disseminated gold deposits, such as the large intrusive bodies and fault structures, are also resolvable on TIMS data. Inclusion of high-resolution thermal inertia data would be a useful supplement to the TIMS data.

Krohn, M. Dennis↗
NASA NTRS1986

Controlling Flexible Manipulators, an Experimental Investigation

Lightweight, slender manipulators offer faster response and/or greater workspace range for the same size actuators than tradional manipulators. Lightweight construction of manipulator links results in increased structural flexibility. The increase flexibility must be considered in the design of control systems to properly account for the dynamic flexible vibrations and static deflections. Real time control of the flexible manipulator vibrations are experimentally investigated. Models intended for real-time control of distributed parameter system such as flexible manipulators rely on model approximation schemes. An linear model based on the application of Lagrangian dynamics to a rigid body mode and a series of separable flexible modes is examined with respect to model order requirements, and modal candidate selection. Balanced realizations are applied to the linear flexible model to obtain an estimate of appropriate order for a selected model. Describing the flexible deflections as a linear combination of modes results in measurements of beam state, which yield information about several modes. To realize the potential of linear systems theory, knowledge of each state must be available. State estimation is also accomplished by implementation of a Kalman Filter. State feedback control laws are implemented based upon linear quadratic regulator design.

Hastings, Gordon Greene↗
NASA NTRS1988

Dynamics of coorbital satellite rings

The dynamical behavior of a coorbital satellite ring is studied for N = 2-9 satellites, in terms of a simplified dynamical description, in which the motion is reduced to the separation angles between satellites. The number and stability of different kinds of stationary configurations is explored, revealing that equally spaced rings are not stable against small perturbations for N not greater than 6, while for N = 2-8 there exists another, stable compact solution. Integrations of exact equations confirm these results. Moreover, the systems are found to display chaotic characteristics for a certain range of energy. The behavior can be interpreted in terms of maximum velocity curves, defining the allowed region of the motion in the phase space.

Salo, H.↗
NASA NTRS1989

Structure and dynamics of the Arizona monsoon boundary

The structure and dynamics of the Arizona monsoon boundary, defined as the boundary separating two distinctly different air masses over Mexico and the adjacent Pacific during the summer, are analyzed. The cross-sectional analysis was based on the following three data sources: a composite cross section through the boundary, constructed from the Fleet Numerical Oceanography Center analysis for 1985; a time-height cross section, obtained using radiosonde observations at the time the boundary passed through Tucson in 1984; and a cross section through the boundary of July 22, 1985, using high-resolution fields of temperature, moisture, and geopotential height obtained from the VISSR Atmospheric Sounder. All three sources yielded similar structure, showing that the Arizona monsoon boundary resembles a midlatitude front forced almost entirely by confluence. The possible role this frontlike system may play in the development of disturbances in the southwestern United States during summer is discussed.

Adang, Thomas C.↗
NASA NTRS1991

Intraseasonal oscillations in the global atmosphere. II - Southern Hemisphere

A systematic examination of oscillatory modes in the global atmosphere is completed by studying 12 years of 500 mb geopotential heights in the Southern Hemisphere. The data were band-pass filtered to focus on intraseasonal (IS) phenomena, and spatial empirical orthogonal functions (EOFs) were obtained. The leading principal components were subjected to singular spectrum analysis in order to identify nonlinear IS oscillations with high statistical confidence. In the Southern Hemisphere, the dominant mode has a period of 23 days, with spatial patterns carried by the second and third winter EOF of the IS band. It has a zonal wavenumber-four structure. The 40-day mode is second, and is dominated by wavenumbers three and four, while a 16-day mode is too weak to separate its spatial behavior from the previous two. The IS dynamics in the Southern Hemisphere is more complex and dominated by shorter wavenumbers than the Northern Hemisphere. No statistically significant correlations between the Southern Hemisphere and the tropics or the Northern Hemisphere are apparent in the IS band.

Ghil, Michael↗
NASA NTRS1994

Voyager observations of O(+6) and other minor ions in the solar wind

The plasma science (PLS) experiments on the Voyager 1 and 2 spacecraft began making measurements of the solar wind shortly after the two launches in the fall of 1977. In reviewing the data obtained prior to the Jupiter encounters in 1979, we have found that the large dynamic range of the PLS instrument generally allows a clean separation of signatures of minor ions (about 2.5% of the time) during a single instrument scan in energy per charge. The minor ions, most notably O(+6), are well separated from the protons and alpha particles during times when the solar wind Mach number (ratio of streaming speed to thermal speed) is greater than approximately 15. During the Earth to Jupiter cruise we find that the average ratio of alpha particle number density to that of oxygen is 66 +/- 7 (Voyager 1) and 71 +/- 17 (Voyager 2). These values are consistent with the value 75 +/- 20 inferred from the Ion Composition Instrument on ISEE 3 during the period spanning 1978 and 1982. We have inferred an average coronal temperature of (1.7 +/- 0.1) x 10(exp 6) K based on the ratio of O(+7) to O(+6) number densities. Our observations cover a period of increasing solar activity. During this time we have found that the alpha particle to proton number density ratio is increasing with the solar cycle, the oxygen to proton ratio increases, and the alpha particle to oxygen ratio remains relatively constant in time.

Villanueva, Louis↗
NASA NTRS2003

The Data Acquisition and Controls Systems (DACS) of the E-Complex at the John C. Stennis Space Center, MS: A General Overview

The John C. Stennis Space Center (SSC) provides test operations services to a variety of customers including NASA, DoD, commercial enterprises, and others for the development of current next-generation rocket propulsion systems. Many of these test operations services are provided in the E-Complex series of test facilities. The E-Complex is composed of three active test stands (E1, E2, & E3), each with two or more test positions. Each test position is comprised of unique sets of data acquisition and controls hardware and software that record both facility and test article data and safely operate the test facility. The E-Complex data acquisition system (DAS) is actually composed of two separate systems, one for static data and the other for dynamic. The static DAS, otherwise known as the Low-Speed DAS (LSDAS), samples 16 bit data at 250 samples-per-second (SPS), although an aggregate sample rate of 200,000 SPS is possible. The dynamic data acquisition system, otherwise known as the high-speed DAS (HSDAS), samples 16 bit data at 100K SPS with a 45 KHz bandwidth.

Hughes, Mark S.↗