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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Stability and distortion of fcc LaH 10 with path-integral molecular dynamics

The synthesis of the high-temperature superconductor LaH 10 requires pressures in excess of 100 GPa, wherein it adopts a face-centered cubic structure. Upon decompression, this structure undergoes a distortion, which still supports superconductivity, but with a lower critical temperature. Previous calculations have shown that quantum and anharmonic effects are necessary to stabilize the cubic structure, but have not resolved the low pressure distortion. Using large scale path-integral molecular dynamics enabled by a machine learned potential, we show that a rhombohedral distortion appears at sufficiently low pressures. Here, we also highlight the importance of quantum zero-point motion in stabilizing the cubic structure.

08 HYDROGEN↗
DOE OSTI2024

Anomalous Interlayer Exciton Diffusion in WS 2 /WSe 2 Moiré Heterostructure

Stacking van der Waals crystals allows for the on-demand creation of a periodic potential landscape to tailor the transport of quasiparticle excitations. We investigate the diffusion of photoexcited electron-hole pairs, or excitons, at the interface of WS 2 /WSe 2 van der Waals heterostructure over a wide range of temperatures. We observe the appearance of distinct interlayer excitons for parallel and antiparallel stacking and track their diffusion through spatially and temporally resolved photoluminescence spectroscopy from 30 to 250 K. While the measured exciton diffusivity decreases with temperature, it surprisingly plateaus below 90 K. Our observations cannot be explained by classical models like hopping in the moiré potential. A combination of ab initio theory and molecular dynamics simulations suggests that low-energy phonons arising from the mismatched lattices of moiré heterostructures, also known as phasons, play a key role in describing and understanding this anomalous behavior of exciton diffusion. Our observations indicate that the moiré potential landscape is dynamic down to very low temperatures and that the phason modes can enable efficient transport of energy in the form of excitons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Grey-box and ANN-based building models for multistep-ahead prediction of indoor temperature to implement model predictive control

Model-based predictive control (MPC) strategies for heating, ventilation, and air-conditioning (HVAC) systems present an opportunity to lower building energy consumption and operational costs. Such approaches rely on the development of a model to precisely forecast building thermal dynamics, such as room air temperature or heating/cooling rate, and make control-related decisions. The control-oriented modeling of building energy systems should be accurate in predicting indoor conditions and present low computational complexity. These features are the key challenge of implementing advanced control methods such as MPC. Extant studies on building modeling for MPC have focused on step-ahead forecasting techniques to forecast building thermal dynamics, while multistep-ahead forecasting is essential. Moreover, machine learning model suitable in case of the domain-based engineering expertise are also not available. To this aim, we perform a comparative analysis of the grey-box model based on a resistance-capacitance (RC) thermal network and a machine learning model composed of an artificial neural network (ANN) for multistep-ahead prediction of building thermal dynamics using current and historical data. Actual experimental data obtained from the Flexible Research Platform (FRP) in Oak Ridge National Laboratory (US) are used for estimation and validation purposes. The average root mean squared error (RMSE) of the grey-box and ANN models are 0.89 °C and 1.02°C, respectively. Finally, the results indicate that the grey-box model outperforms the ANN model in the considered validation periods in terms of accuracy and prediction stability.

42 ENGINEERING↗
DOE OSTI2023

Tangential extreme ultraviolet and soft x-ray diagnostic system for time-resolved temperature measurement on the High Beta Tokamak-Extended Pulse

The High Beta Tokamak-Extended Pulse has recently incorporated a tangential multi-energy extreme ultraviolet and soft x-ray diagnostic system. This system enables measurements of the electron temperature and the examination of mode dynamics within the tokamak. While other systems have been built for poloidal views over similar temperature ranges, this is the first multi-energy tangential-view system designed to work in a temperature range below 200 eV in a tokamak. To facilitate these measurements, a filter wheel comprising five distinct groups of dual-filters has been developed and implemented. By employing a combination of 0.1 μm aluminum and 0.2 μm titanium filters, the system allows estimation of electron temperature profiles through reconstruction of the emission profile using the standard “double-foil” technique. The influence of impurities and filter oxide layers on measurement outcomes is examined. Results reveal that, while the absolute electron temperature values may exhibit some deviations, key characteristics like the electron temperature profile shape and inversion radius during sawtooth events remain consistent. This consistency confirms the system’s suitability for core plasma studies. This system has proven effective in detecting and analyzing internal magnetohydrodynamic phenomena, such as sawteeth.

Instruments & Instrumentation↗
DOE OSTI2022

Habitat‐adapted microbial communities mediate Sphagnum peatmoss resilience to warming

Summary Sphagnum peatmosses are fundamental members of peatland ecosystems, where they contribute to the uptake and long‐term storage of atmospheric carbon. Warming threatens Sphagnum mosses and is known to alter the composition of their associated microbiome. Here, we use a microbiome transfer approach to test if microbiome thermal origin influences host plant thermotolerance. We leveraged an experimental whole‐ecosystem warming study to collect field‐grown Sphagnum , mechanically separate the associated microbiome and then transfer onto germ‐free laboratory Sphagnum for temperature experiments. Host and microbiome dynamics were assessed with growth analysis, Chl a fluorescence imaging, metagenomics, metatranscriptomics and 16S rDNA profiling. Microbiomes originating from warming field conditions imparted enhanced thermotolerance and growth recovery at elevated temperatures. Metagenome and metatranscriptome analyses revealed that warming altered microbial community structure in a manner that induced the plant heat shock response, especially the HSP70 family and jasmonic acid production. The heat shock response was induced even without warming treatment in the laboratory, suggesting that the warm‐microbiome isolated from the field provided the host plant with thermal preconditioning. Our results demonstrate that microbes, which respond rapidly to temperature alterations, can play key roles in host plant growth response to rapidly changing environments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

High temperature thick film sensor development based on doped lanthanum chromites refractory semiconductors materials

High temperature advanced sensing materials have generated high demand due the high accuracy temperature measurements requirements for process optimization, controlling and sensing. Some technological applications of harsh conditions sensing include monitoring tiles of space shuttles, rotating bearings in aircraft engines, turbines, jet engines dynamics and chemical reactors. High temperature conditions limit the sensing strategies, where typically traditional metal thermocouples are unstable, and the sensing options are limited to optical spectroscopy methods. Recently, refractory semiconductors thick- and thin-film thermocouples have been developed and, in many cases, preferred over conventional metallic thermocouples due their spatial resolution, and capability of direct deposition on any surface. Rare earth chromites ceramics materials, exhibit some properties of interest for high temperature sensing technologies development, such as: high microstructure and sintering stability, excellent conductive behavior at high temperatures, and matching thermal expansion coefficients relative to other conductors and refractory ceramics. In this work, high performance ultra-high temperature thermocouples using p-type and n-type doped lanthanum chromites materials were fabricated and tested at temperatures up to 1500 o C. Thermoelectric voltage, Seebeck Coefficients were established for all devices, evidencing high stability and performance in prolongated operational time and harsh conditions.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1988

Supersonic jet plume interaction with a flat plate

Supersonic jet plume interaction with a flat plate was studied using a model scaled test apparatus designed to simulate plume/aircraft structure interaction for the cruise configuration. The generic configuration consisted of a rectangular supersonic nozzle of aspect ratio 7, and a large flat plate located beneath the nozzle at various nozzle plate distances; the plate was instrumented to measure surface dynamic pressure and mean wall temperature, with provisions for measurements of acceleration and strain on coupon size panels that could be inserted in the plate. Phase-averaged schlieren measurements revealed the presence of high-intensity acoustic emission from the supersonic plume above the plate, directed upstream; this radiation could be associated with the shock noise generation. Narrow band spectra of surface dynamic pressure show spectral peaks with amplitude levels reaching 1 psi, related to the screech tones. Temperature measurements indicated elevated surface temperatures in regions of high turbulence intensity.

Seiner, John M.↗
NASA NTRS1993

A Hot Dynamic Seal Rig for Measuring Hypersonic Engine Seal Durability and Flow Performance

A test fixture for measuring the dynamic performance of candidate high-temperature engine seal concepts was installed at NASA Lewis Research Center. The test fixture was designed to evaluate seal concepts under development for advanced hypersonic engines, such as those being considered for the National Aerospace Plane (NASP). The fixture can measure dynamic seal leakage performance from room temperature up to 840 C (1550 F) and air pressure differentials up to 690 kPa (100 psi). Performance of the seals can be measured while sealing against flat or distorted walls. In the fixture two seals are preloaded against the sides of a 30 cm (1 ft) long saber that slides transverse to the axis of the seals, simulating the scrubbing motion anticipated in these engines. The capabilities of this test fixture along with preliminary data showing the dependence of seal leakage performance on high temperature cycling are addressed.

Miller, Jeffrey H.↗
DOE OSTI2021

Manipulation of Exciton Dynamics in Single-Layer WSe 2 Using a Toroidal Dielectric Metasurface

Recent advances in emerging atomically thin transition metal dichalcogenide semiconductors with strong light–matter interactions and tunable optical properties provide novel approaches for realizing new material functionalities. Coupling two-dimensional semiconductors with all-dielectric resonant nanostructures represents an especially attractive opportunity for manipulating optical properties in both the near-field and far-field regimes. In this work, by integrating single-layer WSe 2 and titanium oxide (TiO 2 ) dielectric metasurfaces with toroidal resonances, we realized robust exciton emission enhancement over 1 order of magnitude at both room and low temperatures. Furthermore, we could control exciton dynamics and annihilation by using temperature to tailor the spectral overlap of excitonic and toroidal resonances, allowing us to selectively enhance the Purcell effect. Our results provide rich physical insight into the strong light–matter interactions in single-layer TMDs coupled with toroidal dielectric metasurfaces, with important implications for optoelectronics and photonics applications.

36 MATERIALS SCIENCE↗
NASA NTRS1993

A hot dynamic seal rig for measuring hypersonic engine seal durability and flow performance

A test fixture for measuring the dynamic performance of candidate high-temperature engine seal concepts has been installed at NASA Lewis Research Center. The test fixture has been designed to evaluate seal concepts under development for advanced hypersonic engines, such as those being considered for the National Aerospace Plane (NASP). The fixture can measure dynamic seal leakage performance from room temperature up to 840 C (1550 F) and air pressure differentials up to 690 kPa (100 psi). Performance of the seals can be measured while sealing against flat or distorted walls. In the fixture two seals are preloaded against the sides of a 30 cm (1 ft) long saber that slides transverse to the axis of the seals, simulating the scrubbing motion anticipated in these engines. This report covers the capabilities of this test fixture along with preliminary data showing the dependence of seal leakage performance on high temperature cycling.

Miller, Jeffrey H.↗
DOE OSTI2021

Late Stage Domain Coarsening Dynamics of Lamellar Block Copolymers

Block copolymer (BCP) phase separation dynamics can be expected to differ significantly from that of the polymer blends due to the constraint of chain connectivity. BCP phase separation dynamics has been studied theoretically, but there has been little experimental evidence to confirm the BCP domain growth scaling laws put forward theoretically. Here, we investigate the dynamics of late-stage lamellar BCP domain coarsening and find that the scaling exponent for lamellar domain growth is ≈1/6 (0.17), irrespective of the annealing temperature, a value close to the scaling exponent of 0.2 predicted by theoretical studies. Furthermore, we show that the prefactors in the domain coarsening equation show Arrhenius dependence on temperature, indicating that the BCP domain growth dynamics is Arrhenius over the temperature range investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Observations of the interaction of ozone and dynamics

Data on the global distribution of temperature and ozone obtained with the Limb Radiance Inversion Radiometer which flew on the Nimbus 6 spacecraft are analyzed within the conceptual framework of Hartmann and Garcia (1979). The analysis supports the conclusion that ozone perturbations are dynamically controlled when the photochemical time constant is much greater than the dynamical time constant; when the photochemical constant is much less than the dynamical constant, ozone perturbations are photochemically controlled. It is also shown that the transports of planetary waves, or eddy transports, appear to be strongly localized in the region between the regimes in which dynamical and photochemical controls operate.

Gille, J. C.↗
DOE OSTI2025

Dynamic Behavior of Bound Interlayer Excitons in Interlayer-Doped Cs 3 Bi 2 Br 9 Vacancy-Ordered Perovskite

Interlayer doping of the vacancy-ordered 2D perovskite Cs 3 Bi 2 Br 9 (CBB) enables the formation of bound interlayer excitons (BIEs), a unique charge-transfer excited state within the layered solid. BIEs previously reported with silver (Ag + ) as an interlayer dopant exhibited bright broadband photoluminescence (PL) with prolonged lifetime at room temperature, offering potential applications in efficient white light emission, photocatalysis, and optoelectronics. However, the dynamic behavior of radiation and excited carriers remains poorly understood due to the limitations of ensemble spectroscopic measurements. Here, we investigate the temperature-dependent dynamics of Ag-doped Cs 3 Bi 2 Br 9 (Ag-CBB) using single-particle time-resolved PL spectroscopy and ultrafast transient absorption imaging. Single-particle PL measurements reveal three distinct emission regimes across temperature: (i) BIE-dominant emission at high temperatures, (ii) a mixture of radiation from BIEs and self-trapped excitons (STEs) at intermediate temperatures, and (iii) STE-dominant emission below 100 K. Rapid transient absorption mapping using Parallel Rapid Imaging with Spectroscopic Mapping (PRISM) reveals subpicosecond STE formation in pristine CBB and long-lived photoinduced absorption by BIEs, consistent with electron–hole separation and suppressed STE transfer. The spatial uniformity of these signals confirms homogeneous Ag doping across single crystals. These findings highlight the role of Ag interlayer dopants in governing the BIE dynamics.

bound interlayer exciton↗
DOE OSTI2021

Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions

We prove that, within the class of pair potential Hamiltonians, the excess entropy is a universal, temperature-independent functional of the density and pair correlation function. This result extends Henderson’s theorem, which states that the free energy is a temperature dependent functional of the density and pair correlation. The stationarity and concavity of the excess entropy functional are discussed and related to the Gibbs–Bugoliubov inequality and to the free energy. We apply the Kirkwood approximation, which is commonly used for fluids, to both fluids and solids. Approximate excess entropy functionals are developed and compared to results from thermodynamic integration. The pair functional approach gives the absolute entropy and free energy based on simulation output at a single temperature without thermodynamic integration. We argue that a functional of the type, which is strictly applicable to pair potentials, is also suitable for first principles calculation of free energies from Born–Oppenheimer molecular dynamics performed at a single temperature. In conclusion, this advancement has the potential to reduce the evaluation the free energy to a simple modification to any procedure that evaluates the energy and the pair correlation function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1988

Structural tailoring of high-speed turbine blades (SSME/STAEBL)

Space shuttle main engine (SSME) blades are subject to severe thermal, pressure, and forced vibration environments. Structural optimization provides an automated alternative to time consuming iterations. Any number of analyses, design variables, and constraints can be incorporated in a structural optimization computer code. This idea was applied to develop the code SSME/STAEBL, which is a stand alone code suitable for automated design of SSME turbopump blades. Additions and modifications of STAEBL included in SSME/STAEBL include the following: (1) thermal stress analysis, (2) gas dynamic (pressure) loads, (3) temperature-dependent material and thermal properties, (4) forced vibrations, (5) tip displacement constraints, (6) single crystal material analysis, (7) blade cross-section stacking offsets, and (8) direct time integration algorithm for transient dynamic response.

Rubinstein, Robert↗
NASA NTRS2002

Dynamically controlled crystal growth system

Crystal growth can be initiated and controlled by dynamically controlled vapor diffusion or temperature change. In one aspect, the present invention uses a precisely controlled vapor diffusion approach to monitor and control protein crystal growth. The system utilizes a humidity sensor and various interfaces under computer control to effect virtually any evaporation rate from a number of different growth solutions simultaneously by means of an evaporative gas flow. A static laser light scattering sensor can be used to detect aggregation events and trigger a change in the evaporation rate for a growth solution. A control/follower configuration can be used to actively monitor one chamber and accurately control replicate chambers relative to the control chamber. In a second aspect, the invention exploits the varying solubility of proteins versus temperature to control the growth of protein crystals. This system contains miniature thermoelectric devices under microcomputer control that change temperature as needed to grow crystals of a given protein. Complex temperature ramps are possible using this approach. A static laser light scattering probe also can be used in this system as a non-invasive probe for detection of aggregation events. The automated dynamic control system provides systematic and predictable responses with regard to crystal size. These systems can be used for microgravity crystallization projects, for example in a space shuttle, and for crystallization work under terrestial conditions. The present invention is particularly useful for macromolecular crystallization, e.g. for proteins, polypeptides, nucleic acids, viruses and virus particles.

Bray, Terry L.↗
NASA NTRS2019

Characterization and Failure Analysis of 650 V Enhancement-Mode GaN HEMT for Cryogenically-Cooled Power Electronics

In order to evaluate the feasibility of newly developed GaN devices in a cryogenically-cooled converter, this paper characterizes a 650 V enhancement-mode Gallium-Nitride high-electron-mobility transistor (GaN HEMT) at cryogenic temperatures. The characterization includes both static and dynamic behaviors. The results show that this GaN HEMT is an excellent device candidate to be applied in cryogenic-cooled applications. For example, transconductance at cryogenic temperature (93 K) is 2.5 times higher than one at room temperature (298 K), and accordingly, peak di/dt during turn-on transients at cryogenic temperature is around 2 times of that at room temperature. Moreover, the on-resistance of the channel at cryogenic temperature is only one-fifth of that at room temperature. The corresponding explanations of performance trends at cryogenic temperatures are also given from the view of semiconductor physics. In addition, several device failures were observed during the dynamic characterization of GaN HEMTs at cryogenic temperatures. The ultra-fast switching speed induced high di/dt and dv/dt at cryogenic temperatures amplifies the negative effects of parasitics inside the switching loop. Based on failure waveforms, two failure modes were classified, and detailed failure mechanisms caused by ultra-fast switching speed are given in this paper.

Static and dynamic characterization↗
DOE OSTI2023

Hierarchical thermal-conductive polymer nanocomposites for thermal management

Managing heat in electrical conductors is a major challenge to meet the demands for sustainable energy use and electrical reliability, most notably power electronics and energy-critical electrical machines. Achieving such disparate functionalities, such as high temperature thermal and electrical reliability, require rational design and manufacturing of thermal conductor material and its hierarchical structures. Here we present hierarchical thermal-conductive nanocomposites, consisting of nanostructured ceramic conformal coating and aligned ultrahigh molecular weight polyethylene fiber, to tailor heat dissipation in electric conductors. The hybrid aligned thermal interface exhibits a highly desirable temperature dependent anisotropic high thermal conductivity with 0.98W m –1 K –1 and dielectric strength with 3.4. In addition, electrically insulating thermal interfaces demonstrate high-performing and reliable electrical systems under the dynamic load conditions. The surface temperature of heterogeneous ceramic-polymer encapsulated conductor is 17.8 °C lower than that of polymer-encapsulated conductor at the same electrical load. Consequently, the findings shown here hold great promises for directing heat extraction in electrical machine systems, advancing thermal management for emerging electronic applications.

36 MATERIALS SCIENCE↗