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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Charged drop dynamics experiment using an electrostatic-acoustic hybrid system

The design and the performance of an electrostatic-acoustic hybrid system and its application to a charge drop rotation experiment are presented. This system can levitate a charged drop electrostatically and induce drop rotation or oscillation by imposing an acoustic torque or an oscillating acoustic pressure. Using this system, the equilibrium shapes and stability of a rotating charged drop were experimentally investigated. A 3 mm size water drop was rotated as a rigid body and its gyrostatic equilibrium shapes were observed. Families of axisymmetric shapes, two-lobed shapes, and eventual fissioning have been observed. With the assumption of 'effective surface tension' in which the surface charge simply modified the surface tension of neutral liquid, the results agree exceptionally well with the Brown and Scriven's (1980) prediction for uncharged drops.

Rhim, W. K.↗
NASA NTRS2021

Charged Particle Dynamics in Lunar Environment

Current state-of-the-art (SOA) granular gas dynamics models used to explain rocket plume impingement physics have not taken into account the natural or induced electrostatic environment of the lunar surface, nor the effect of charged regolith grains being present in the plume plasma. This work improved upon the SOA by adding long-range and contact inter-particle electrostatic interactions to a granular mechanics discrete element method (DEM) modeling software package. Experiments have been tentatively selected to fly on a lunar gravity Blue Origin New Shepard flight through the Flight Opportunities Program (FOP). These experiments will directly provide inputs into the models discussed in this report to provide validation from a more relevant environment than may be produced in the lab.

James Phillips↗
NASA NTRSDate not supplied

Scalable Variable Charge Molecular Dynamics Simulations of Metal-Oxide Systems

Interfaces between metals and oxides are an important feature in many technologically relevant materials, e.g., oxidation of metal surfaces, oxide-dispersion strengthened (ODS) alloys, dielectric components, and thermal barrier coatings among others. Experimental studies of such interfaces are challenging since the majority are buried within the bulk, making computational modeling an attractive alternative. Molecular dynamics (MD) simulations operate at the length scales relevant to many interface-mediated mechanisms, but the requisite interatomic potentials for metal-oxide systems require computationally expensive variable charge schemes to account for the disparate bonding types, thus often limiting their effectiveness. Here we introduce several improvements to the charge transfer interatomic potential (CTIP) model which enable greater computational efficiency for large scale MD simulations. Then, using a new CTIP parametrization for the Ni-O system, we demonstrate its capabilities to capture critical atomic scale mechanisms associated with metal-oxide interfaces. Long time scale simulations (>10 ns) are used to investigate high temperature oxidation and oxide precipitation from the melt, and large length scale simulations (> 1 million atoms) are used to study the interaction of dislocations with oxide particles. We have implemented the new CTIP model in the widely used, open-source MD code LAMMPS.

Gabriel Plummer↗
DOE OSTI2026

Charge And Dynamic Current On Tubular Antennas For Various Drive Conditions

The mixed boundary value problem of a tubular conductor is solved using an approximate representation of its Fourier coefficients. A two term solution is derived, which represents the solution over an extremely broad range of aspect ratios. This representation is used to find the electrostatic solution and capacitance of a charged tube as well as the solution of a tube in a uniform field and its dipole moment. This second case is directly useful as a model for a monopole electric field probe. This approximation is a special case of a representation using a combination of Chebyshev and Legendre polynomials. Combining the charged tube and tube in a uniform field allows the solution of voltage driven tubular antennas. Comparisons are made with numerical solutions using piecewise sinusoidal representations of the current. The results are also generalized to the dynamic case and up to and beyond the first resonance. Simple corrections for finite gap and delta gap drives to magnetic frill drives are examined using infinite tube integral transform representations. Corrections between magnetic frill drives and coaxial drives are also given. Approximate drive corrections using conformal mapping and an effective radius are also discussed. Finally, this efficient current representation is applied to the magnetic problem involving simple tubular solenoids.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Charge Transfer Dynamics in Dye-Sensitized Photocatalysts Using Metal Complex Sensitizers with Long-Wavelength Visible Light Absorption Based on Singlet–Triplet Excitation

An Os(II) polypyridyl complex was applied as a photosensitizer in dye-sensitized photocatalyst systems based on Pt-intercalated HCa 2 Nb 3 O 10 and Pt-loaded TiO 2 . The Os(II) complex exhibits a spin-forbidden but partially allowed triplet metal-to-ligand charge transfer ( 3 MLCT) transition, enabling broad visible light absorption up to 800 nm, which surpasses that of conventional Ru(II)-based dyes. Despite its shorter excited-state lifetime compared to Ru(II) complexes, efficient electron injection from the excited Os(II) dye into the semiconductor was confirmed. Under visible-light irradiation, the Os(II)- sensitized photocatalysts showed higher H 2 evolution activity than the Ru(II)-sensitized photocatalysts when sodium ascorbate was used as an electron donor, demonstrating effective utilization of long-wavelength visible light. In contrast, negligible H 2 evolution was observed when NaI was employed as a redox mediator for Z-scheme water splitting. Transient absorption spectroscopy revealed that the lack of activity stemmed from inefficient electron transfer from I − to oxidized Os(II). These findings highlight the importance of selecting appropriate redox mediators to fully exploit long-wavelength dyes for overall water splitting under visible light.

artificial photosynthesis↗
DOE OSTI2026

Slow Quasiparticle Dynamics and Anyonic Statistics in a Fractional Quantum Hall Fabry-Pérot Interferometer

Anyons are two-dimensional particles with fractional exchange statistics that emerge as elementary excitations of fractional quantum Hall phases. Experimentally, their exchange statistics can be measured in the edge-state Fabry-Pérot interferometer, wherein the presence of 𝑁 𝑞⁢𝑝 localized anyons contributes a phase 𝑁 𝑞⁢𝑝⁢ 𝜃 𝑎 to the interference pattern where 𝜃 𝑎 is twice the exchange phase. Here we report the observation of large, hysteretic phase jumps in a monolayer graphene Fabry-Pérot interferometer at 𝜈 = 1/3. When the filling factor is increased from 𝜈 < 1/3 toward the center of the plateau, we observe phase slips with magnitude Δ⁢𝜃 ≈ 2⁢𝜋/3, consistent with the addition of individual quasiparticles to the interferometer bulk. These phase slips occur as instantaneous jumps in the interference signal, with intervals between the jumps indicating quasiparticle equilibration times exceeding 20 min. We use this long timescale to investigate the effect of changes in interferometer area 𝐴 𝐼 and 𝑁 𝑞⁢𝑝 independently at fixed magnetic field, revealing a striking memory effect in the phase slip magnitude. In particular, as the 𝜈 =1/3 plateau is approached from higher filling, we observed phase slips with Δ⁢𝜃 significantly larger than 2⁢𝜋/3 over the same range of gate voltage where quantized jumps are seen for increasing 𝜈. We discuss this asymmetry in terms of bulk-edge coupling of quasiparticles localized near the edge or in the bulk, and argue that this effect can be qualitatively reconciled with theoretical expectations for strongly interacting quasiparticles in the presence of weak disorder and strongly nonequilibrium charge dynamics. Besides providing a replication of interferometric measurements sensitive to 𝜃 𝑎 , our results highlight the key role played by charge dynamics on signatures of the anyon phase, and demonstrate that fractional quasiparticles can be indefinitely localized in nonequilibrium configurations.

anyons↗
DOE OSTI2025

Speed Variation Based Power Regulation Concept for Dynamic Wireless Charging

On-road wireless charging of electric vehicles (EVs) in-motion could potentially reduce range anxiety or battery size with wide-spread deployment. The planning and implementation of such systems are greatly complicated due to their susceptibility to load variation inherent to traffic flow. Here, this paper proposes a method for derisking the potential for traffic slowdowns by compensating for reduced vehicle speed and investigates how implementation may affect system performance. A load modeling case study is presented at 200kW for a mile of high-speed roadway employing speed-based power regulation with results indicating average power usage and maximum car hosting capability can be reduced by 20% and increased by 30% respectively. An 85kHz power electronics model is developed based on designs and prototypes for an 11kW, 190m airgap static system and a 200kW dynamic wireless track. The simulation is validated in the 11kW experimental prototype and modified for 200kW operation to compare with simulated performance. Sensitivity studies are performed in MATLAB/Simulink to evaluate how parameters influence system performance and confirm the capability to reduce output power and maintain efficiency at 11 and 200kW. The static 11kW experimental system operates at 93.6% efficiency and multiple options exist to reduce power while maintaining efficiency greater than 90%. The capability to dynamically modify power output from WPT coils, in an experimentally validated simulation, enables techniques to significantly mitigate load variability due to reductions in vehicle speed.

42 ENGINEERING↗
DOE OSTI2026

Excited-state vibronic coherences and intramolecular charge transfer dynamics of the photoinactive cyanobacteriochrome NpF2164g5

We have characterized the excited-state structural dynamics that follow optical excitation of the photoinactive cyanobacteriochrome (CBCR) NpF2164g5 to determine the first events along the photoisomerization reaction coordinate of the phycocyanobilin (PCB) chromophore in red-to-green photoactive CBCRs. Within 25 fs of photoexcitation to the first excited singlet state, S1, a cross peak begins to develop below the diagonal of the broadband two-dimensional electronic spectrum (2DES) owing to the formation of a twisted conformation of the PCB chromophore with an enhanced intramolecular charge-transfer (ICT) character. Excited-state coherent wavepacket motions, including a torsion of the methine bridge between rings C and D and the carbon–hydrogen out-of-plane (HOOP) wagging vibration, are rapidly damped as the cross peak forms. This finding supports an assignment of the torsional and HOOP modes to the reaction coordinate of a coherent nonadiabatic mechanism. The ICT process is accompanied by an ultrafast Stokes shift and rapidly damped oscillations at the torsional mode’s frequency, which are sensed by measurements of the energy gap of the cross peak using its first moment with respect to the detection frequency axis of the 2DES spectrum. Furthermore, these results have the further implication that polar side chains of nearby amino acid residues in the binding site of the PCB chromophore can manipulate the barrier height for photoisomerization in red-to-green photoactive CBCRs and in phytochromes by redistributing the π-electron density along the methine bridge between the C and D rings.

Charge transfer↗
DOE OSTI2025

Probing Ultrafast Charge Transfer Dynamics in Heterostructured Nanomaterials

The increasing demand for renewable and low‐cost energy has triggered a vast amount of research aimed at developing, characterizing and optimizing materials that can efficiently convert sun light into useful chemical energy in the form of electricity or chemical fuels. So‐ called quantum dot sensitized solar cell (QDSC) materials have gained much attention in recent years based on the advantageous physicochemical properties of semiconducting quantum dots (QDs) as sensitizers, as well as their promising potential to increase the conversion efficiency beyond the Shockley‐Queisser limit of ∼33% by making use of hot‐electron transfer (HET) routes and multiple exciton generation (MEG). By finely tuning the size of the QDs, the band gap can be carefully aligned to the metal oxide (MO) conduction band such that charge transfer from the photoexcited QD is thermodynamically favorable.

14 SOLAR ENERGY↗
NASA NTRS1986

The dynamics of charged dust in the tail of Comet Giacobini-Zinner

A numerical simulation has been performed to calculate the distributions of dust particles of various sizes down the tail of comet P/Giacobini-Zinner. When the electrostatic charging of the grains in the plasma and radiative environment of the comet is taken into account, it is found that the distribution of the grains (particularly at the lowest end of the mass spectrum) in a plane normal to the orbital plane is entirely different from what is expected had the grains been uncharged. Although the NASA-ICE spacecraft, which will fly through the tail of this comet almost normal to its orbital plane on September 11, 1985, has no dedicated dust experiments, it is expected that the plasma wave instrument will serve as an indirect detector, even of the smallest grains, via the plasma clouds created by the high-velocity dust impacts. Knowledge of the spatial variation of the grain sizes encountered along the flight path of the spacecraft will provide us with the information necessary to calculate the electrostatic potential of the grains, which in turn will lead to an estimation of the role of the electromagnetic forces on the dynamics of such grains.

Horanyi, M.↗
NASA NTRS1986

Helium and minor ions in the corona and solar wind - Dynamics and charge states

A theoretical model of the acceleration region of the solar wind with major species (p, alpha, e) and minor ions (e.g., He-3, C, O, Mg, Si) is presented. Observed n(e)-profiles and the equations of continuity and momentum are used to calculate profiles of T, n, and u for all species, as well as charge states of minor ions. The disagreement of the results of a pure p-e model with observations is discussed in some detail, and it is shown that a model consistent with observations both in the corona and at 1 AU requires a finite abundance of He(2+). This model predicts a strong enhancement of He/H in the lower corona. The results for the frozen-in charge states in the p-alpha-e model are in agreement with measurements in the low speed solar wind, especially for the well determined pair O(6+)/O(7+). Finally, a model for a coronal hole is investigated and it is found that wave pressure is necessary to model successfully the observed solar wind speeds and abundances. Although various simplifying assumptions had to be introduced, care was taken to ensure that the model remains physically consistent, i.e., that the same physics is used for the major species as well as the minor ions.

Buergi, A.↗
NASA NTRS2020

Charged Particle Dynamics in the Lunar Environment

As the Artemis Program streams forward, organizations of scientists and engineers across the country have been coming together to solve the complex network of problems to once again achieve the milestone of successfully touching down on the moon. This project is no exception, and it has been an honor to work with the Electrostatics and Surface Physics Laboratory (ESPL), a lab within the Exploration Research and Technology Programs’ Spaceport Technologies Office (UB-G) located at the National Aeronautics and Space Administration at Kennedy Space Center (NASA KSC). The authors and their mentor James R. Phillips III3, in tandem with researchers from the Astrodynamics and Space Robotics Laboratory (ASRL) at the University of Central Florida (UCF), have been working on creating a state-of-the-art (SOA) granular gas dynamics model for particulate contamination prevention and mitigation purposes. In essence, the underlying objective for this project is to more accurately model the resulting electrodynamic interactions between lunar regolith grains with applications to dust mitigation and rocket engine plume surface interactions. To achieve this goal, the team has been expanding upon existing open source classical molecular dynamics code developed by Sandia National Laboratories (SNL). The following reports on the details of the problem at hand as well as the contributions that the authors have made towards resolution, including but not limited to the encoding of physical attributes and interactions for non-spherical polydisperse particle distributions within various bed geometries and preemptive data analysis implementations. Significant data analysis processes were utilized, and several original algorithms were created to perform critical evaluations, resulting in only a 0.006% error in discrepancy.

Annelisa B Esparza↗
DOE OSTI2025

Accelerating charge estimation in molecular dynamics simulations using physics-informed neural networks: corrosion applications

Molecular Dynamics (MD) simulations are used to understand the effects of corrosion on metallic materials in salt brine. Reactive force fields in classical MD enable accurate modeling of bond formation and breakage in the aqueous medium and at the metal-electrolyte interface, while also facilitating dynamic partial charge equilibration. However, MD simulations are computationally intensive and unsuitable for modeling the long time scales characteristic of corrosive phenomena. To address this, we develop reduced-order machine learning models that provide accurate and efficient predictions of charge density in corrosive environments. Specifically, we use Long Short-Term Memory (LSTM) networks to forecast charge density evolution based on atomic environments represented by Smooth Overlap of Atomic Positions (SOAP) descriptors. A physics-informed loss function enforces charge neutrality and electronegativity equivalence. The atomic charges predicted by the deep learning model trained on this work were obtained two orders of magnitude faster than those from molecular dynamics (MD) simulations, with an error of less than 3% compared to the MD-obtained charges, even in extrapolative scenarios, while adhering to physical constraints. This demonstrates the excellent accuracy, computational efficiency, and validity of the developed model. Lastly, even though developed for corrosion, these protocols are formulated in a phenomenon-agnostic manner, allowing application to various variable-charge interatomic potentials and related fields.

Atomistic models↗
NASA NTRS2011

Internal Electrostatic Discharge Monitor - IESDM

A document discusses an innovation designed to effectively monitor dielectric charging in spacecraft components to measure the potential for discharge in order to prevent damage from internal electrostatic discharge (IESD). High-energy electrons penetrate the structural materials and shielding of a spacecraft and then stop inside dielectrics and keep accumulating. Those deposited charges generate an electric field. If the electric field becomes higher than the breakdown threshold (approx. =2 x 10(exp 5) V/cm), discharge occurs. This monitor measures potentials as a function of dielectric depth. Differentiation of potential with respect to the depth yields electric field. Direct measurement of the depth profile of the potential in a dielectric makes real-time electronic field evaluation possible without simulations. The IESDM has been designed to emulate a multi-layer circuit board, to insert very thin metallic layers between the dielectric layers. The conductors serve as diagnostic monitoring locations to measure the deposited electron-charge and the charge dynamics. Measurement of the time-dependent potential of the metal layers provides information on the amount of charge deposited in the dielectrics and the movement of that charge with time (dynamics).

Kim, Wousik↗