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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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DOE OSTI2025

Microwave microscope studies of trapped vortex dynamics in superconductors

Trapped vortices in superconductors introduce residual resistance in superconducting radio-frequency (SRF) cavities and disrupt the operation of superconducting quantum and digital electronic circuits. Understanding the detailed dynamics of trapped vortices under oscillating magnetic fields is essential for advancing these technologies. We have developed a near-field magnetic microwave microscope to study the dynamics of a limited number of trapped vortices under the probe when stimulated by a localized rf magnetic field. By measuring the local second-harmonic response (𝑃 2⁢f ) at subfemto-Watt levels, we isolate signals exclusively arising from trapped vortices, excluding contributions from surface defects and Meissner screening currents. Toy models of niobium superconductor hosting vortex pinning sites are introduced and studied with time-dependent Ginzburg-Landau (TDGL) simulations of probe/sample interaction to better understand the measured second-harmonic response. The simulation results demonstrate that the second-harmonic response of trapped vortex motion under a localized rf magnetic field shares key features with the experimental data. Here, this measurement technique provides access to vortex dynamics at the micrometer scale, such as depinning events and spatially resolved pinning properties, as demonstrated in measurements on a niobium film with an antidot flux pinning array.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

A Deep Study of an Intermediate-age Open Cluster SAI 35 (Juchert 20) Using Ground-based Imaging and Gaia EDR3 Astrometry

We present a CCD UBVI photometric study of poorly studied intermediate-age open cluster SAI 35 (Juchert 20) for the first time. To accomplish this study, we also used LAMOST DR5, Two Micron All Sky Survey, and Gaia EDR3 databases. We identified 214 most probable cluster members with membership probability higher than 50%. The mean proper motion of the cluster is found as μ{sub α}cos δ=1.10±0.01 and μ {sub δ} = −1.66 ± 0.01 mas yr{sup −1}. We find the normal interstellar extinction law using the various two-color diagrams. The age, distance, reddening, and radial velocity of the cluster are estimated to be 360 ± 40 Myr, 2.9 ± 0.15 kpc, 0.72 ± 0.05 mag, and −91.62 ± 6.39 km s{sup −1}, respectively. The overall mass function slope for main-sequence stars is found to be 1.49 ± 0.16 within the mass range 1.1–3.1 M {sub ⊙}, which is in agreement with Salpeter’s value within uncertainty. The present study demonstrates that SAI 35 is dynamically relaxed. Galactic orbital parameters are determined using Galactic potential models. We found that this object follows a circular path around the Galactic center.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Investigating the Impact of Power-Take-Off System Parameters and Control Law on a Rotational Wave Energy Converter’s Peak-to-Average Power Ratio Reduction

Due to the irregular nature of real waves, the power captured in a wave energy converter (WEC) system is highly variable. This is an important barrier to the effective use of WECs. To address this challenge, this study focuses on a rotational WEC power-take-off system in which high-speed and high-efficiency generators along with a torque/power smoothing inertia element can be effectively utilized. In the first phase of this study, the U.S. Department of Energy’s reference model 3 (WEC-Sim RM3; two-body point absorber), along with a slider-crank WEC, were integrated for linear to rotational conversion. Relative motion between the float and spar in RM3 was the driving force for this slider-crank WEC, which is connected to a motor/generator set through a gearbox. RM3 geometry was scaled down by 25 times to work within the limits of the physical motor/generator set used in the experimentation. Once the integration in a hardware-in-the-loop simulation environment was successfully completed, data on the peak-to-average power ratio was collected for various wave conditions including regular and irregular waves. The control algorithm designed to keep the system in resonance with waves was able to maintain relatively high speed depending on the specific gear ratio and wave period. Initial results with hardware-in-the-loop simulations reveal that gear ratio and crank radius have a strong impact on the peak-to-average power ratio. In addition, it was found that output power from the generator was maximized at a larger gear ratio, as the crank radius was increased.

50 EE - Wind and Water Power Program - Water (EE-4↗

DOE OSTI2019

Imaging Macromolecular Structural Dynamics with Low-Dose, Time-Resolved Transmission Electron Microscopy

All well-established experimental methods for investigating the structure of biological macromolecules have spatial and/or temporal limitations inherent to the technique that limit their applicability to studying macromolecular dynamics. The ability to measure macromolecular dynamics is key to gaining predictive mastery of biological systems. This work demonstrates that sufficient data can be acquired from low-Z soft materials using dynamic transmission electron microscopy (DTEM) to potentially allow measurements of macromolecular motion. While a dynamic measurement of macromolecular motion or structural change requires further effort, it is evident from this work that this is feasible under specific experimental conditions that can be achieved using low-dose, time-resolved transmission electron microscopy.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

SZ–X-Ray Surface Brightness Fluctuations in the SPT-XMM Clusters

The hot plasma in galaxy clusters, the intracluster medium, is expected to be shaped by subsonic turbulent motions, which are key for heating, cooling, and transport mechanisms. The turbulent motions contribute to the nonthermal pressure, which, if not accounted for, consequently imparts a hydrostatic mass bias. Accessing information about turbulent motions is thus of major astrophysical and cosmological interest. Characteristics of turbulent motions can be indirectly accessed through surface brightness fluctuations. This study expands on our pilot investigations of surface brightness fluctuations in the Sunyaev–Zel’dovich and in X-ray data by examining, for the first time, a large sample of 60 clusters using both SPT-SZ and XMM-Newton data and spans the redshift range 0.2 < z < 1.5, thus constraining the respective pressure and density fluctuations within 0.6 R $_{500}$. We deem density fluctuations to be of sufficient quality for 32 clusters, finding mild correlations between the peak of the amplitude spectra of density fluctuations and various dynamical parameters. We infer turbulent velocities from density fluctuations with an average Mach number $\mathcal{M}$ 3D = 0.52 ± 0.14, in agreement with numerical simulations. For clusters with inferred turbulent Mach numbers from fluctuations in both pressure, $\mathcal{M}$ P , and density, $\mathcal{M}$ ρ , we find broad agreement between $\mathcal{M}$ P and $\mathcal{M}$ ρ . Our results suggest either a bimodal or a skewed unimodal Mach number distribution, with the majority of clusters being turbulence-dominated (subsonic) while the remainder are shock-dominated (supersonic).

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Collisional Effects on Electron Trajectories in Crossed-Field Devices

Crossed-field diodes (CFDs) are used in multiple high-power applications and are characterized by an applied magnetic field orthogonal to the electric field, induced by the applied voltage across the anode-cathode gap. In vacuum, the Hull cutoff magnetic field (HCMF) represents the maximum applied magnetic field for which an electron from the cathode can reach the anode. This study investigates the effects of non-vacuum conditions on electron trajectories by introducing electron mobility, which represents particle collisions. We used numerical solutions of the electron force law and particle-in-cell simulations (XPDP1) to assess electron motion for various electron mobilities. For magnetic fields above the HCMF in vacuum, reducing the electron mobility increases the time for an electron emitted from the cathode to reach the anode. Reducing mobility below 22 C s/kg eliminates the HCMF for any magnetic field, meaning that an emitted electron will always cross the gap. We derived the magnetic field, mobility, and electron transit time corresponding to this condition by solving for the condition when the electron velocity in the direction across the anode-cathode gap going to zero at the anode. A parametric study of these conditions using theory and XPDP1 is performed under different gap distances, voltages, and magnetic fields.

42 ENGINEERING↗

DOE OSTI2020

Nuclear-Electronic Orbital Ehrenfest Dynamics

The recently developed real-time nuclear-electronic orbital (RT-NEO) approach provides an elegant framework for treating electrons and selected nuclei, typically pro- tons, quantum mechanically in nonequilibrium dynamical processes. However, the RT-NEO approach neglects the motion of the other nuclei, preventing a complete de- scription of the coupled nuclear-electronic dynamics and spectroscopy. In this work, we describe the dynamical interaction between the other nuclei and the electron-proton subsystem with the mixed quantum-classical Ehrenfest dynamics method. The NEO- Ehrenfest approach propagates the electrons and quantum protons in a time-dependent variational framework, while the remaining nuclei move classically on the correspond- ing average electron-proton vibronic surface. This approach includes the non-Born- Oppenheimer eects between the electrons and quantum protons with RT-NEO and between the classical nuclei and the electron-proton subsystem with Ehrenfest dynam- ics. Spectral features for vibrational modes involving both quantum and classical nuclei are resolved from the time-dependent dipole moments. Moreover, nuclear quantum ef- fects are included directly in nonadiabatic dynamics simulations. The excited state intramolecular proton transfer in the o-hydroxybenzaldehyde molecule is shown to be faster and to exhibit a larger kinetic isotope eect with NEO-Ehrenfest compared to classical Ehrenfest dynamics. This work shows that the NEO-Ehrenfest method is a powerful tool to study dynamical processes with coupled electronic and nuclear degrees of freedom.

Zhao, Luning↗

DOE OSTI2023

Topological kinetic crossover in a nanomagnet array

Ergodic kinetics, which are critical to equilibrium thermodynamics, can be constrained by a system’s topology. Here, we studied a model nanomagnetic array in which such constraints visibly affect the behavior of the magnetic moments. In this system, magnetic excitations connect into thermally active one-dimensional strings whose motion can be imaged in real time. At high temperatures, our data showed the merging, breaking, and reconnecting of strings, resulting in the system transitioning between topologically distinct configurations. Below a crossover temperature, the string motion is dominated by simple changes in length and shape. In this low-temperature regime, the system is energetically stable because of its inability to explore all possible topological configurations. This kinetic crossover suggests a generalizable conception of topologically broken ergodicity and limited equilibration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Simulation of Transport Phenomena in Bubble Column Reactors

The production of carbon and hydrogen from methane is a viable pathway for monetizing the vast reserves of US natural gas. Liquid (metals and/or salts) bubble column reactors operating at temperatures greater than 1000° C allow the conversion of methane into hydrogen without CO 2 emission. The low-density carbon floats on top of the liquid surface, allowing an easier removal, compared to other reactor concepts for methane pyrolysis. In this current report, we present results from simulations of transport phenomena in a liquid bubble column reactor. The goal is to investigate and understand parameters that are crucial for bubble column reactor design and scale up. The report presents the formulation and numerical methods used in the multiphase direct numerical simulation software, Quilt. This software was validated for the bubbly flow using numerical and physics based test problems. Quilt was then used to perform simulations of the bubble column reactor as a parametric study, varying the bubble injection parameters. The simulations were visualized for qualitative analysis and followed up with a quantitative analysis. The effect of injection parameters on various quantitative measures of the bubble residence time, interfacial area and motion through the column are presented.

03 NATURAL GAS↗

DOE OSTI2023

Correlating armature and needle dynamics with voltage waveforms of solenoid-actuated GDI injector

The injector voltage hump that appears near the needle closing has been used for the real-time monitoring and feedback control of fuel injection duration in modern engines. This voltage hump has been thought to result from the abrupt change in electromagnetic induction by the stoppage of needle motion but detailed electromagnetic processes and associated armature and needle dynamics during the needle closing have not been thoroughly investigated in a wide range of injection conditions, which knowledge is crucial for the delicate control of fuel injection based on the voltage hump. Here, the current study analyzes the transient armature and needle dynamics of a solenoid-actuated gasoline direct injection injector using an X-ray phase-contrast imaging technique. Then, the results are correlated with voltage waveforms during the needle closing transient under various injection pressures, injection pulse durations, and dwell times of split injections. The time derivatives of voltage waveforms showed lower and upper peaks in order in the regime of the voltage hump. Inconsistent with conventional understandings, the lower peak timing of the voltage derivative did not match with the timing of needle closing (end of injection) but rather matched with the abrupt descent timing of the armature and needle. The inflection timing and upper peak timing of the voltage derivative matched with the timings of actual needle closing and armature closing respectively. The amplitude of the voltage hump was near linearly dependent on the needle closing speed. The needle closing speed decreased upon the decrease of injection pulse duration and injection pressure which made it difficult to detect the voltage humps in ballistic injection regimes and low injection pressures. In split injection conditions, the voltage hump of the first injection was not detectable if the dwell time was shorter than the needle closing delay, the time from the current cut-off to the actual needle closing.

42 ENGINEERING↗

DOE OSTI2020

Enlarged Nonclosure of Surface Energy Balance With Increasing Atmospheric Instabilities Linked to Changes in Coherent Structures

The nonclosure of surface energy balance remains an outstanding problem in eddy covariance (EC) measurements of land-surface fluxes of heat, water vapor, and CO 2 . Our data collected from an EC tower over a semiarid sagebrush ecosystem indicate that under unstable atmospheric conditions, the nonclosure becomes increased with increasing instability, consistent with many other studies. It is demonstrated that the increased nonclosure is not caused by the inadequate sampling of large-scale turbulent motions using a 30-min averaging interval, though the scales of turbulent motions dominating sensible and latent heat fluxes become enlarged with increasing instability. Quadrant analysis is then used to reveal that the flux contributions from ejections remain nearly constant with increasing instability, whereas the flux contributions from sweeps are reduced and their time fractions increase. Our results imply that the increased nonclosure of surface energy balance is associated with changes in turbulent structures including their dominant time scales and flux contributions of ejections and sweeps as the atmospheric instability increases, which require further studies using vertically distributed observations and/or large eddy simulations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Shallow Soil Response to a Buried Chemical Explosion With Geophones and Distributed Acoustic Sensing

Abstract Shallow sediments can respond non‐linearly to large dynamic strains and undergo a subsequent healing phase as the material gradually recovers following the passing of seismic waves. This study focuses on the physical changes in the subsurface caused by the shaking from a buried chemical explosion detonated in a borehole in Nevada, USA, as a part of the Source Physics Experiment Phase II. The explosion damaged the shallow subsurface and modified the frequency content recorded by 491 geophones and 2240 Distributed Acoustic Sensing (DAS) channels within 2.5 km from surface ground zero. We observe a gradual shift of resonance frequencies in the 10–25 Hz frequency band in the hours following the explosion and develop a method to characterize the related logarithm‐type healing process of the shallow (i.e., upper ∼25 m) subsurface. We find that stronger levels of ground motion increase the relative degree of damage and duration of the subsurface healing; with the spall region exhibiting the largest degree of damage and longest healing recovery time. We observe coherent spatial patterns of damage with the region located to the southeast of the explosion exhibiting more damage than the southwest region. This study demonstrates that both DAS and co‐located geophones capture similar temporal changes associated with the physical processes occurring in the subsurface, with the high‐density sampling of DAS measurements enabling a new capability to monitor the fine‐scale changes of the Earth's shallow subsurface following the detonation of a buried explosion.

Viens, Loïc↗

DOE OSTI2026

Ab Initio Polariton Spectra of ZnTPP Molecules Collectively Coupled Inside an Optical Cavity

Exciton-polaritons are quasi-particles formed by the quantum mechanical hybridization of electronic and photonic excitations. Despite extensive investigations, a fundamental understanding of molecular polariton spectra and the polariton delocalization from an ab initio theoretical perspective remains elusive. We simulate experimentally measured linear transmission spectroscopy of many Zinc(II) tetraphenylporphyrin (ZnTPP) molecules collectively coupled to a cavity from first principles. Our theoretical approach incorporates many low-lying electronic excitations in ZnTPP molecules, as well as collective light-matter couplings between ZnTPP and the quantized radiation modes, both of which are shown to be the key to accurately recovering the experimental spectra. We further analyzed to what extent the polariton and dark states are delocalized over many molecules, for the first time, using fully ab initio descriptions of the molecules. We finally investigate the line width as a function of detuning, providing new theoretical insights into the experimentally observed motional narrowing behavior. Our work presents first-ofits- kind theoretical studies on molecular polariton spectra, offering a new perspective on molecular polariton formation in realistic ab initio molecular systems whose rich, many-state nature provides spectral features enabled by the high density of electronic states beyond simple quantum optics models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

A physics-constrained neural network for multiphase flows

The present study develops a physics-constrained neural network (PCNN) to predict sequential patterns and motions of multiphase flows (MPFs), which includes strong interactions among various fluid phases. To predict the order parameters, which locate individual phases in the future time, a neural network (NN) is applied to quickly infer the dynamics of the phases by encoding observations. The multiphase consistent and conservative boundedness mapping algorithm (MCBOM) is next implemented to correct the predicted order parameters. This enforces the predicted order parameters to strictly satisfy the mass conservation, the summation of the volume fractions of the phases to be unity, the consistency of reduction, and the boundedness of the order parameters. Then, the density of the fluid mixture is updated from the corrected order parameters. Finally, the velocity in the future time is predicted by another NN with the same network structure, but the conservation of momentum is included in the loss function to shrink the parameter space. The proposed PCNN for MPFs sequentially performs (NN)-(MCBOM)-(NN), which avoids nonphysical behaviors of the order parameters, accelerates the convergence, and requires fewer data to make predictions. Numerical experiments demonstrate that the proposed PCNN is capable of predicting MPFs effectively.

Mechanics↗

DOE OSTI2024

Implementation of a real-time MSE system

Motional Stark effect polarimetry is a key diagnostic for plasma fusion research since its usage on PBX-M. The MSE diagnostic measures the radial magnetic pitch angle profile in a plasma from a neutral beam by observation of Stark split D-alpha emission from atoms excited by collision with ions and electrons in the plasma. The pitch angle measurement is used with equilibrium reconstruction codes to determine the q-profile for studies of plasma stability, confinement, and transport. Historically, the algorithm was used in a post-processing fashion. The goal of our work was to apply this method in real time and pass the results to the plasma control system computer for real-time equilibrium reconstruction and control.

Instruments & Instrumentation↗

DOE OSTI2023

Mapping Glacier Basal Sliding Applying Machine Learning

During the RESOLVE project (“High-resolution imaging in subsurface geophysics: development of a multi-instrument platform for interdisciplinary research”), continuous surface displacement and seismic array observations were obtained on Glacier d’Argentière in the French Alps for 35 days in May 2018. The data set is used to perform a detailed study of targeted processes within the highly dynamic cryospheric environment. In particular, the physical processes controlling glacial basal motion are poorly understood and remain challenging to observe directly. Especially in the Alpine region for temperate based glaciers where the ice rapidly responds to changing climatic conditions and thus, processes are strongly intermittent in time and heterogeneous in space. Spatially dense seismic and Global Positioning System (GPS) measurements are analyzed applying machine learning to gain insight into the processes controlling glacial motions of Glacier d’Argentière. Using multiple bandpass-filtered copies of the continuous seismic waveforms, we compute energy-based features, develop a matched field beamforming catalog and include meteorological observations. Features describing the data are analyzed with a gradient boosting decision tree model to directly estimate the GPS displacements from the seismic noise. We posit that features of the seismic noise provide direct access to the dominant parameters that drive displacement on the highly variable and unsteady surface of the glacier. The machine learning model infers daily fluctuations and longer term trends. The results show on-ice displacement rates are strongly modulated by activity at the base of the glacier. The techniques presented provide a new approach to study glacial basal sliding and discover its full complexity.

58 GEOSCIENCES↗

DOE OSTI2026

Improving 3D reconstruction quality for root phenotyping: assessing the impact of camera calibration and imaging parameters

Arate 3D reconstruction is essential for high-throughput plant phenotyping, particularly for studying complex structures such as root systems. While photogrammetry and Structure from Motion (SfM) techniques have become widely used for 3D root imaging, the camera settings used are often underreported in studies, and the impact of camera calibration on model accuracyccu remains largely underexplored in plant science. In this study, we systematically evaluate the effects of focus, aperture, exposure time, and gain settings on the quality of 3D root models made with a multi-camera scanning system. We show through a series of experiments that calibration significantly improves model quality, with focus misalignment and shallow depth of field (DoF) being the most important factors affecting reconstruction accuracy. Our results further show that proper calibration has a greater effect on reducing noise than filtering it during post-processing, emphasizing the importance of optimizing image acquisition rather than relying solely on computational corrections. This work improves the repeatability and accuracy of 3D root imaging for phenotyping pipelines by giving useful calibration guidelines. This leads to better trait quantification for use in crop research and plant breeding in downstream analysis.

3D reconstruction↗

DOE OSTI2021

Object manipulation in immersive virtual environments: Hand Motion tracking technology and snap-to-fit function

There have been recent efforts to use virtual reality and manipulation to train construction workers and inspection. However, there is a lack of research efforts comparing and evaluating virtual manipulation hardware for construction tasks. Moreover, the current practice of virtual manipulation has limited functionality to guide users with the placement of objects in virtual environments. To address these issues, this paper presents 1) a detailed case study that compares three types of manipulation hardware (image-based, infrared-based, and magnetic-based) for construction applications and 2) a snap-to-fit method that improves the VM through solving limitations of the advanced virtual reality interaction metaphors. The latter enhances the placement process for manipulation by comparing two models (e.g., scan and BIM models) for proper placement in assembly scenarios. Finally, the case study results show that magnetic-based systems outperform others in construction scenarios. Lastly, the snap-to-fit function was validated in terms of accuracy and time performance.

42 ENGINEERING↗