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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dynamical phase-field model of coupled electronic and structural processes

Abstract Many functional and quantum materials derive their functionality from the responses of both their electronic and lattice subsystems to thermal, electric, and mechanical stimuli or light. Here we propose a dynamical phase-field model for predicting and modeling the dynamics of simultaneous electronic and structural processes and the accompanying mesoscale pattern evolution under static or ultrafast external stimuli. As an illustrative example of application, we study the transient dynamic response of ferroelectric domain walls excited by an ultrafast above-bandgap light pulse. We discover a two-stage relaxational electronic carrier evolution and a structural evolution containing multiple oscillational and relaxational components across picosecond to nanosecond timescales. The phase-field model offers a general theoretical framework which can be applied to a wide range of functional and quantum materials with interactive electronic and lattice orders and phase transitions to understand, predict, and manipulate their ultrafast dynamics and rich mesoscale evolution dynamics of domains, domain walls, and charges.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Spin excitations and dynamics in 2D magnets: An overview of magnons and magnetic skyrmions

van der Waals magnetic materials open up exciting possibilities to investigate fundamental spin properties in low-dimensional systems and to build compact functional spintronic structures. This review focuses on the recent progress in two-dimensional (2D) magnets that explore beyond the homogenous magnetically ordered state, including magnons (spin waves), magnetic skyrmions, and complex magnetic domains. Properties of these spin and topology excitations in 2D magnets provide insights into spin-orbit interactions and other forms of coupling between electrons, phonons, and spin-dependent excitations. Such spin-based quasiparticles can also serve as information carriers for next-generation high-speed computing elements. Furthermore, we will first lay out the general theoretical basis of dynamical responses in magnetic systems, followed by detailed descriptions of experimental progress in magnons and spin textures (including magnetic domains and skyrmions). Discussion on the experimental techniques and future perspectives are also included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

A simulation-based parametric study of CLOU chemical looping reactor performance

Chemical looping with oxygen uncoupling (CLOU) is a variant on chemical looping combustion in which the oxygen carrier releases gaseous O 2 in the fuel reactor, making it well-suited for solid fuels, since the released gaseous O 2 readily reacts with solid char. This work presents several computational fluid dynamic (CFD) simulations of copper-based CLOU in a dual fluidized bed system, each with different operating conditions. The modeling predicted that coal particle sizes as large as 1000 μm did not significantly affect performance. Increased oxygen carrier copper loading resulted in an excess of gaseous oxygen in the product gas stream. Decreasing the oxygen carrier bed mass as well as reducing the air reactor fluidizing velocity did not supply enough oxygen to the fuel reactor to complete combustion of the coal. This generated a failure state in which the temperature continued to decrease in the fuel reactor from the lack of combustion, which in turn reduced the O 2 equilibrium partial pressure, further lowering the amount of combustion possible. Sufficient O 2 can be maintained in the fuel reactor by ensuring a high enough air reactor velocity and a large enough supply of oxygen carrier inventory to handle the chosen coal feed rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Dissociating the phononic, magnetic and electronic contributions to thermal conductivity: a computational study in alpha-iron

Computational tools to study thermodynamic properties of magnetic materials have, until recently, been limited to phenomenological modeling or to small domain sizes limiting our mechanistic understanding of thermal transport in ferromagnets. Herein, we study the interplay of phonon and magnetic spin contributions to the thermal conductivity in a-iron utilizing non-equilibrium molecular dynamics simulations. It was observed that the magnetic spin contribution to the total thermal conductivity exceeds lattice transport for temperatures up to two-thirds of the Curie temperature after which only strongly coupled magnon-phonon modes become active heat carriers. Characterizations of the phonon and magnon spectra give a detailed insight into the coupling between these heat carriers, and the temperature sensitivity of these coupled systems. Comparisons to both experiments and ab initio data support our inferred electronic thermal conductivity, supporting the coupled molecular dynamics/spin dynamics framework as a viable method to extend the predictive capability for magnetic material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Cool carriers: triplet diffusion dominates upconversion yield

Perovskites have gained popularity both as the active material in photovoltaics and as bulk triplet sensitizers for solid-state triplet–triplet annihilation upconversion (TTA-UC). Prior to widespread implementation into commercial photovoltaics, an in-depth understanding of the environmental influences on device performance is required. To this point, the temperature-dependent structure–function properties of TTA-UC within methylammonium formamidinium lead triiodide (MAFA)/rubrene UC devices are explored. A strong temperature dependence of the underlying UC dynamics is observed, where the maximum UC efficiency is achieved at 170 K, reflecting the competition between triplet diffusion length, diffusion rate, and triplet–triplet encounter events. Furthermore, a combination of spectroscopic and structural methods and theoretical modelling illustrates that despite the significantly increased carrier lifetime of the perovskite at low temperatures, the TTA-UC dynamics are not governed by the underlying sensitizer properties but rather limited by the underlying triplet diffusion.

Sullivan, Colette M.↗
NASA NTRS1990

Utilization of the Spacehab module as a microgravity carrier

Spacehab Incorporated has proposed the use of its mid-deck augmentation module as a near term microgravity test bed. The orbital flight dynamics and payload accommodation capabilities of a Space Shuttle with the Spacehad module were investigated to assess this proposal. It was found that the module will provide a 1 microG (32.2 x 10(exp 6) ft/sq sec) quasi-steady state environment for limited periods of time when the shuttle is actively controlled. A passively stable attitude will provide a 4 microG environment for longer periods. Shuttle imposed constraints on the composite payload center of gravity, however, severely limit the possibilities for co-manifesting additional payloads. The analysis leading to those conclusions are detailed.

Sasamoto, Washito A.↗
DOE OSTI2026

Coherent and Dynamic Small Polaron Delocalization in CuFeO 2

Small polarons remain a bottleneck in realizing efficient transition metal oxide devices. Routes to engineer small polaron coupling to electronic states and lattice modes to control carrier localization remain unclear. Here, we measure small polaron formation in CuFeO 2 using transient extreme ultraviolet reflection spectroscopy and compare to theoretical predictions in realistically parametrized Holstein models, demonstrating that polaron localization depends on coupling to high-frequency versus low-frequency phonon bath components. We measure small polaron formation on a comparable ∼100 fs timescale to other Fe(III) compounds. Dynamic delocalization of the polaron follows formation through a coherent lattice expansion between Fe–O layers and charge-sharing with surrounding Fe(IV) states. Simulations reveal two major factors dictate polaron formation timescales: phonon density and reorganization energy distributions between acoustic and optical modes, matching experimental findings. Our work shows how electronic-structural coupling in a polaron-host material can be leveraged to suppress polaronic effects for various applications.

Hematite↗
NASA NTRS1994

Dynamic orbit determination using GPS measurements from TOPEX/POSEIDON

The GPAS data acquired by the TOPEX/POSEIDON (T/P) Demonstration Receiver (DR) have been used in a dynamic orbit determination, which was based on the description of the gravitational and nongravitational forces in the equations of motion. The GPS carrier phase data were processed in a double difference mode to remove clock errors, including the effects of Selective Availability. Simultaneous estimation of the T/P orbit and GPS orbits was performed using five 10-day cycles in the interval between December (1992) and April (1993). The resulting T/P orbits have been compared with the orbits determined from Satellite Laser Ranging, the French one-way Doppler tracking system, DORIS, and with the JPL reduced dynamic orbit determination strategies and force models with the GPS/DR to those used with SLR/DORIS, the radial component of the T/P orbit (based on JGM-2) was found to agree better than 30 mm (rms) and 35 mm with the JPL reduced dynamic orbit. An experiment gravity tuning was accomplished using four cycles of GPS/DR data. The resulting GPS./DR-orbits, determined by the dynamic technique with the experimental gravity field, are in better agreement with the JPL reduced dynamic orbits in both the radial component (21-25 mm) and altimeter crossover residuals than the JGM-2 orbits. (21-25 mm) and altimeter crossover residuals than the JGM-2 orbits.

Schultz, B. E.↗
DOE OSTI2023

Spectroscopy of Degenerate One-Dimensional Electrons in Carbon Nanotubes (Final Report)

The goal of this research program was to understand the fundamental properties of degenerate one-dimensional (1-D) electrons in single-wall carbon nanotubes (SWCNTs). SWCNTs provide an ideal 1-D environment in which to study many-body physics. Semiconducting SWCNTs exhibit rich optical spectra dominated by extremely stable 1-D excitons, whereas metallic SWCNTs contain massless 1-D carriers with ultralong mean-free paths. Despite the large number of electrical, optical, and magnetic studies of SWCNTs during the last two decades, most of the predicted exotic properties of interacting 1-D electrons have yet to be observed, and some reported experimental results remain highly controversial. Here, we report on our research projects for the last 16 years summarizing spectroscopy on SWCNTs using an arsenal of spectroscopic methods from the terahertz to the visible spectral range, including ultrafast optical spectroscopy and ultrahigh magnetic fields. These studies provided a wealth of new insights into the nature of strongly correlated carriers in the ultimate 1-D limit that will lead to novel nanodevice concepts and implementations. Particular emphasis was placed on dynamical 1-D phenomena in the terahertz, infrared, and optical frequency ranges. Because SWCNTs are direct-band-gap materials, they are one of the leading candidates to unify electronic and optical functions in nanoscale circuits and elucidate how electron correlations can affect and control finite-frequency phenomena in 1-D systems. As a result, we have published 78 research articles (Web of Science), including ten reviews and book volumes/chapters. Below, we highlight and summarize several accomplishments that provided new insights into the fundamental properties of1-D carriers, excitons, and phonons of SWCNTs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Radiation Response of Ga 2 O 3 MOSFETs Probed via Focused Particle Beams

Gallium Oxide (Ga 2 O 3 ), particularly in its β-phase, is attracting lots of interest for high-power and high-voltage electronics due to its wide bandgap, high breakdown field, and thermal stability. This study investigates the radiation response of Ga 2 O 3 Metal-Oxide-Semiconductor Field-Effect Transistors (MOSFETs) under Total Ionizing Dose (TID) and Displacement Damage (DD) conditions, which are critical for applications in radiation environments. Utilizing a dual-beam Focused Ion Beam and Scanning Electron Microscope setup, microscale analysis of radiation effects on individual devices is performed. The findings reveal distinct behaviors under TID and DD + TID conditions, with TID leading to threshold voltage shifts due to trapped charges, while DD results in decreased drive current attributed to increased carrier scattering from lattice defects. Notably, it is demonstrated that the TID effect can be mitigated through dynamic threshold voltage adjustments and that the predicted TID from ions calculated by Monte Carlo simulations overestimates actual TID due to unaccounted charge yield effects. In conclusion, this research enhances the understanding of Ga2O3 MOSFETs' performance in harsh radiation environments, providing insights for the design of robust electronic devices for space and nuclear applications.

MOSFET↗
NASA NTRS1980

Analysis of the Rim Inertial Measuring System (RIMS)

Nonlinear equations of motion are derived for the rim inertial measuring system, which is mounted in a strapped down configuration on a carrier vehicle. The measurement and equations derived from angular rates and linear accelerations were interfaced with the dynamic model of a user defined carried vehicle. Two methods are presented for rate measurement, and the results of the nonlinear computer simulation are presented.

Joshi, S. M.↗
NASA NTRS1982

Communication satellite ground station receiver performance at low data rates

Performance of satellite ground station receivers at low data rates is analyzed for power-limited satellites, when various amounts of frequency dynamics are present. Specifically, the lowest data rates for which the receiver can successfully demodulate suppressed-carrier BPSK data under a wide variety of conditions are determined. Minimum data rates on the order of 100 to 1400 bits per second are achievable with a bit error probability less than 0.00001 and with a mean time to cycle slip on the order of 1/2 hour or more, when Costas loops are employed for carrier extraction.

Riddle, L. P.↗
NASA NTRS1986

An estimator-predictor approach to PLL loop filter design

An approach to the design of digital phase locked loops (DPLLs), using estimation theory concepts in the selection of a loop filter, is presented. The key concept is that the DPLL closed-loop transfer function is decomposed into an estimator and a predictor. The estimator provides recursive estimates of phase, frequency, and higher order derivatives, while the predictor compensates for the transport lag inherent in the loop. This decomposition results in a straightforward loop filter design procedure, enabling use of techniques from optimal and sub-optimal estimation theory. A design example for a particular choice of estimator is presented, followed by analysis of the associated bandwidth, gain margin, and steady state errors caused by unmodeled dynamics. This approach is under consideration for the design of the Deep Space Network (DSN) Advanced Receiver Carrier DPLL.

Statman, J. I.↗
NASA NTRS1988

Precise orbit determination for NASA's earth observing system using GPS (Global Positioning System)

An application of a precision orbit determination technique for NASA's Earth Observing System (EOS) using the Global Positioning System (GPS) is described. This technique allows the geometric information from measurements of GPS carrier phase and P-code pseudo-range to be exploited while minimizing requirements for precision dynamical modeling. The method combines geometric and dynamic information to determine the spacecraft trajectory; the weight on the dynamic information is controlled by adjusting fictitious spacecraft accelerations in three dimensions which are treated as first order exponentially time correlated stochastic processes. By varying the time correlation and uncertainty of the stochastic accelerations, the technique can range from purely geometric to purely dynamic. Performance estimates for this technique as applied to the orbit geometry planned for the EOS platforms indicate that decimeter accuracies for EOS orbit position may be obtainable. The sensitivity of the predicted orbit uncertainties to model errors for station locations, nongravitational platform accelerations, and Earth gravity is also presented.

Williams, B. G.↗
NASA NTRS1988

Determination of GPS orbits to submeter accuracy

Orbits for satellites of the Global Positioning System (GPS) were determined with submeter accuracy. Tests used to assess orbital accuracy include orbit comparisons from independent data sets, orbit prediction, ground baseline determination, and formal errors. One satellite tracked 8 hours each day shows rms error below 1 m even when predicted more than 3 days outside of a 1-week data arc. Differential tracking of the GPS satellites in high Earth orbit provides a powerful relative positioning capability, even when a relatively small continental U.S. fiducial tracking network is used with less than one-third of the full GPS constellation. To demonstrate this capability, baselines of up to 2000 km in North America were also determined with the GPS orbits. The 2000 km baselines show rms daily repeatability of 0.3 to 2 parts in 10 to the 8th power and agree with very long base interferometry (VLBI) solutions at the level of 1.5 parts in 10 to the 8th power. This GPS demonstration provides an opportunity to test different techniques for high-accuracy orbit determination for high Earth orbiters. The best GPS orbit strategies included data arcs of at least 1 week, process noise models for tropospheric fluctuations, estimation of GPS solar pressure coefficients, and combine processing of GPS carrier phase and pseudorange data. For data arc of 2 weeks, constrained process noise models for GPS dynamic parameters significantly improved the situation.

Bertiger, W. I.↗
NASA NTRS2003

Robust Synchronization Schemes for Dynamic Channel Environments

Professor Xiong will investigate robust synchronization schemes for dynamic channel environment. A sliding window will be investigated for symbol timing synchronizer and an open loop carrier estimator for carrier synchronization. Matlab/Simulink will be used for modeling and simulations.

Xiong, Fugin↗
DOE OSTI2026

Ultrafast Light-Induced Magnetoelectric Effect in van der Waals Magnetic Semiconductor Heterostructures

Atomic-scale heterostructures of van der Waals (vdW) magnets and semiconductors provide a unique environment for exploring magnetic dynamics. In contrast to typical photothermal excitation of precessional magnetization dynamics by a pump laser pulse, we find that ultrafast optical excitation of a WS2/CrGeTe3 (CGT) bilayer produces an opposite sign of magnetic torque compared to an isolated CGT film. Experimental observations by time-resolved magneto-optic Kerr effect (TR-MOKE) and theoretical analysis by density functional theory (DFT) and Landau-Lifshitz-Gilbert (LLG) simulations support a mechanism in which charge transfer of photoexcited carriers across the interface alters the perpendicular magnetic anisotropy, which in turn generates a torque on the magnetic layer to trigger precessional magnetization dynamics. These results provide new avenues for ultrafast manipulation of magnetization in vdW heterostructures with type-II band alignments. Lastly, we show that optically-generated spin currents from WS2 into CGT can also trigger precessional dynamics via angular momentum transfer.

Zhou, Wenyi [The Ohio State University]↗
DOE OSTI2024

Exciton polaron formation and hot-carrier relaxation in rigid Dion–Jacobson-type two-dimensional perovskites

The efficiency of two-dimensional Dion–Jacobson-type materials relies on the complex interplay between electronic and lattice dynamics; however, questions remain about the functional role of exciton–phonon interactions. Here we establish the robust polaronic nature of the excitons in these materials at room temperature by combining ultrafast spectroscopy and electronic structure calculations. We show that polaronic distortion is associated with low-frequency (30–60 cm –1 ) lead iodide octahedral lattice motions. More importantly, we discover how targeted ligand modification of this two-dimensional perovskite structure manipulates exciton–phonon coupling, exciton polaron population and carrier cooling. At high excitation density, stronger exciton–phonon coupling increases the hot-carrier lifetime, forming a hot-phonon bottleneck. Furthermore, our study provides detailed insight into the exciton–phonon coupling and its role in carrier cooling in two-dimensional perovskites relevant for developing emerging hybrid semiconductor materials with tailored properties.

36 MATERIALS SCIENCE↗