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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 289 records · Page 16

Numerical modeling of impurity powder injection in W7-X

In this work, we present numerical simulation results of powder injection in W7-X using the EMC3-EIRENE and DIS codes. First, we model powder injection experiments performed in W7-X with the Probe Mounted Powder Injector. The simulation results qualitatively agree with visible imaging measurements. Secondly, we perform predictive simulations to guide the installation of an Impurity Powder Dropper in W7-X, allowing to choose in between several available non-vertical ports to maximize the amount of powder penetrating into the plasma, as well as the verticality of the port, to minimize sticking of the powders in the in-vessel stainless steel guiding tube. Port AEM41 is selected as the best candidate for IPD installation. The robustness of the simulation results has been verified for different plasma densities, powder materials and sizes, powder friction coefficient and changes in the plasma flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Probe Compensation Characterization in Cylindrical Near-Field Scanning

This paper presents a useful computer simulation methodology to properly characterize the role of probe compensation in cylindrical near-field scanning. The methodology is applied to a linear test array antenna and has been applied to other antenna configurations.

probe compensation near-field scanning waveguide r↗

Probing Electric Double-Layer Composition via in Situ Vibrational Spectroscopy and Molecular Simulations.

At an electrode, ions and solvent accumulate to screen charge, leading to a nanometer-scale electric double layer (EDL). The EDL guides electrode passivation in batteries, while in (super)capacitors, it determines charge storage capacity. Despite its importance, quantification of the nanometer-scale and potential-dependent EDL remains a challenging problem. Here, we directly probe changes in the EDL composition with potential using in situ vibrational spectroscopy and molecular dynamics simulations for a Li-ion battery electrolyte (LiClO 4 in dimethyl carbonate). The accumulation rate of Li + ions at the negative surface and ClO 4 - ions at the positive surface from vibrational spectroscopy compares well to that predicted by simulations using a polarizable APPLE&P force field. The ion solvation shell structure and ion-pairing within the EDL differs significantly from the bulk, especially at the negative electrode, suggesting that the common rationalization of interfacial electrochemical processes in terms of bulk ion solvation should be applied with caution.

25 ENERGY STORAGE↗

Model systems for screening and investigation of lithium metal electrode chemistry and dendrite formation

The use of lithium metal as an electrode for electrochemical energy storage will provide a significant impact on practical energy storage technology. Unfortunately, the use of lithium metal is plagued with challenging chemical problems. Specifically, the formation of a solid electrolyte interphase layer and the nucleation and growth of lithium dendrites: both must be addressed and controlled in order to achieve a practically useable pure lithium metal electrode. Currently sophisticated experimental techniques and computationally expensive simulations are being used to probe these problems but these methods are arduous and time consuming which delays timely evaluation and insight into the rapidly changing field of advanced energy storage. Here, we report the use of DFT simulations of lithium nanoclusters to investigate and explore lithium metal chemistry with inexpensive computational methods to gain greater insight into electrochemical reductions and the nucleation and growth of dendrites. DME, LiTFSI, and LiFSI reduction energetics and structures with electrode effects from lithium metal are reported providing better physical description of the absolute reduction potential characterization. The electronic structure of the lithium nanoclusters were used to investigate the nucleation and growth of lithium dendrites from an ab initio perspective. The results demonstrate that kinetic processes have more control over non uniform growth than thermodynamic processes. Based on this information, a non ab initio model was created in Matlab that shows the initial stages of dendrite nucleation considering approximately 2000 atoms.

25 ENERGY STORAGE↗

A Flux Detection Probe to Quantify Dynamic Groundwater-Surface Water Exchange in the Hyporheic Zone

A new probe was designed to quantify groundwater-surface water exchange in the hyporheic zone under dynamic stage condition. Current methods focus on either vertical pore water velocity or Darcy flux measurements. Both parameters must be understood to evaluate residence time and mass flux of constituents. Furthermore, most instruments are not well suited for monitoring instantaneous velocity or flux under dynamic exchange conditions. For this reason, the flux detection probe (FDP) was designed that employs electrogeophysical measurements to estimate in situ sediment porosity, which can be used to convert pore water velocity to Darcy flux. Dynamic pore water velocity is obtained by monitoring fluid conductivity and temperature along the FDP probe. Pressure sensors deployed at the top and bottom of the probe provide the additional information necessary to estimate vertical permeability. This study focuses on the use of a geophysical method to estimate pore water velocity, porosity, and permeability within a controlled soil column where simulated river water displaces simulated groundwater. The difference between probe derived and theoretical pore water velocity using natural tracers such as electrical conductivity and temperature was -4.9 and 3.9% for downward flow and 1.1 and 12.8% for upward flow, respectively. The difference in porosity calculated from mass and volume packed in the soil column and probe measure porosity ranged between -3.2% and 1.5%. Also, the calculated hydraulic conductivity differed from probe derived values by -8.9%.

54 ENVIRONMENTAL SCIENCES↗

Comparing simulated and observed EMIC wave amplitudes using in situ Van Allen Probes’ measurements

In this study, we perform a statistical study calculating electromagnetic ion cyclotron (EMIC) wave amplitudes based off in situ plasma measurements taken by the Van Allen Probes’ (1.1–5.8 R e ) Helium, Oxygen, Proton, Electron (HOPE) instrument. Calculated wave amplitudes are compared to EMIC waves observed by the Electric and Magnetic Field Instrument Suite and Integrated Science on board the Van Allen Probes during the same period. The survey covers a 22-month period (1 November 2012 to 31 August 2014), a full Van Allen Probe magnetic local time (MLT) precession. The linear theory proxy was used to identify EMIC wave events with plasma conditions favorable for EMIC wave excitation. Two hundred and thirty-two EMIC wave events (103 H + -band and 129 He + -band) were selected for this comparison. Nearly all events selected are observed beyond L = 4. Results show that calculated wave amplitudes exclusively using the in situ HOPE measurements produce amplitudes too low compared to the observed EMIC wave amplitudes. Hot proton anisotropy (Ahp) distributions are asymmetric in MLT within the inner (L < 7) magnetosphere with peak (minimum) A hp , ~0.81 to 1.00 (~0.62), observed in the dawn (dusk), 0000 < MLT ≤ 1200 (1200 < MLT ≤ 2400), sectors. Measurements of A hp are found to decrease in the presence of EMIC wave activity. A hp amplification factors are determined and vary with respect to EMIC wave-band and MLT. Lastly, He + -band events generally require double (quadruple) the measured A hp for the dawn (dusk) sector to reproduce the observed EMIC wave amplitudes.

58 GEOSCIENCES↗

Probing celestial energy and charge correlations through real-time quantum simulations: Insights from the Schwinger model

Motivated by recent developments in the application of light-ray operators (LROs) in high energy physics, we propose a new strategy to study correlation functions of LROs through real-time quantum simulations. We argue that quantum simulators provide an ideal laboratory to explore the properties LROs in lower-dimensional quantum field theories. This is exemplified in the 1 + 1 -d Schwinger model, employing tensor network methods, focusing on the calculation of energy and charge correlators. Despite some challenges in extracting the necessary correlation functions from the lattice, the methodology used can be extended to real quantum devices. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Technique for Estimating Liquid Droplet Diameter and Liquid Water Content in Stratocumulus Clouds Using Radar and Lidar Measurements

This paper describes a technique for estimating the liquid water content (LWC) and a characteristic particle diameter in stratocumulus clouds using radar and lidar observations. The uncertainty in LWC estimate from radar and lidar measurements is significantly reduced once the characteristic particle diameter is known. The technique is independent of the drop size distribution. It is applicable for a broad range of W-band reflectivity Z between -30 and 0 dBZ and all values of lidar backscatter β observations. No partitioning of cloud or drizzle is required on the basis of an arbitrary threshold of Z as in prior studies. A method for estimating droplet diameter and LWC was derived from the electromagnetic simulations of radar and lidar observations. In situ stratocumulus cloud and drizzle probe spectra were input to the electromagnetic simulation. The retrieved droplet diameter and LWC were validated using in situ measurements from the southeastern Pacific Ocean. The retrieval method was applied to radar and lidar measurements from the northeastern Pacific. Uncertainty in the retrieved droplet diameter and LWC that are due to the measurement errors in radar and lidar backscatter measurements are 7% and 14%, respectively. The retrieved LWC was validated using the concurrent G-band radiometer estimates of the liquid water path.

54 ENVIRONMENTAL SCIENCES↗

Multiring probe in a flowing ionospheric plasma.

Description of a multiring probe placed in an ionospheric flow simulation chamber utilizing a modified Kaufman ion engine for its plasma source. The pertinent details of the probe design, instrumentation, and operating procedures are discussed, and the preliminary results obtained are presented.

Sheldon, J. W.↗

Dynamics of polymer segments, polymer chains, and nanoparticles in polymer nanocomposite melts: A review

The addition of nanoparticles (NPs) to a polymer matrix, forming a polymer nanocomposite (PNC), is known to alter the microscopic dynamic processes of both species which leads to unique macroscopic material properties of the PNC. Because the NPs and polymers have overlapping characteristic length, time, and energy scales, the interactions within these materials are complex and the dynamics are interrelated. In this review, we present an overview of experimental, simulation, and theoretical results that probe multi-scale polymer and nanoparticle dynamics in polymer nanocomposites and navigate the dense parameter space presented by these multicomponent systems. Although a variety of PNC systems are mentioned, we focus this discussion on linear thermoplastics filled with hard spherical or cylindrical NPs in the melt state. We begin by introducing PNCs, the dynamic processes within them, and the importance of dynamics for properties and processing. At the smallest length and time scales, we discuss segmental dynamics in PNCs, including the role of polymer attributes, NP attributes, and NP-polymer interactions. Then, we present measurements of collective motions and intermediate (Rouse) dynamics in various PNC materials. At longer length and time scales, we discuss polymer center-of-mass diffusion in PNCs with either spherical or anisotropic NPs. We then explore the dynamics of the NPs in PNCs and polymer melts, including theoretical predictions, simulation results, and experimental observations. Lastly, we note some of the remaining challenges in probing dynamics in PNC materials and fundamentally studying PNCs more generally.

36 MATERIALS SCIENCE↗

Laser-generated plasmas in length scales relevant for thin film growth and processing: simulation and experiment

In pulsed laser deposition, thin film growth is mediated by a laser-generated plasma, whose properties are critical for controlling the film microstructure. The advent of 2D materials has renewed the interest in how this ablation plasma can be used to manipulate the growth and processing of atomically thin systems. For such purpose, a quantitative understanding of the density, charge state, and kinetic energy of plasma constituents is needed at the location where they contribute to materials processes. Here, we study laser-induced plasmas over expansion distances of several centimeters from the ablation target, which is the relevant length scale for materials growth and modification. The study is enabled by a fast implementation of a laser ablation/plasma expansion model using an adaptive Cartesian mesh solver. Simulation outcomes for KrF excimer laser ablation of Cu are compared with Langmuir probe and optical emission spectroscopy measurements. Furthermore, simulation predictions for the plasma-shielding threshold, the ionization state of species in the plasma, and the kinetic energy of ions, are in good correspondence with experimental data. For laser fluences of 1–4 J cm -2 , the plume is dominated by Cu 0 , with small concentrations of Cu+ and electrons at the expansion front. Higher laser fluences (e.g. 7 J cm -2 ) lead to a Cu + -rich plasma, with a fully ionized leading edge where Cu 2+ is the dominant species. In both regimes, simulations indicate the presence of a low-density, high-temperature plasma expansion front with a high degree of ionization that may play a significant role in doping, annealing, and kinetically-driven phase transformations in 2D materials.

2D materials↗

Pioneer Venus probe models instrumented prop tests

Models of both the small and large Pioneer Venus probes were dropped from a helicopter to simulate the conditions of Mach and Reynolds numbers to be encountered by the probes upon entry into the Venus atmosphere. The models were dropped at an average Mach number of .10 and at an average Reynolds number of 2.84 million for the small probe and 2.90 million for the large probe. After the large amplitude launching oscillations were damped, the small probe oscillations in angle of attack and in sideslip were generally less than 2 degrees. The large probe oscillations were generally less than 10 degrees. Both exhibited distinct frequencies. The motion of the small probe in a place perpendicular to the z axis was random while the large probe rotated (corkscrewed) at 1.1 cycles per second about the z axis. The average drag coefficients of the probe models were .714 for the small probe and .663 for the large probe.

Muirhead, V. U.↗

Particle acceleration by propagating interplanetary shocks

The process of charged particle acceleration in interplanetary shocks has been simulated for typical parameters. Since space probe observations of charged particle fluxes are the principle means of inferring the action of an acceleration mechanism, the simulation was designed to follow particles backwards in time from a given observing point, usually 1 AU. This allowed a full diagnosis of which observed particles had interacted with an oncoming shock, where the interacting occurred, and by how much the energy had been changed by the shock interaction. Simple assumptions about the preshock energy spectrum allow the construction of a full temporal profile of the expected intensity, anisotropy, and energy spectrum. The simulations are apparently capable of reproducing the main features of the less than 10 MeV/nuc ion flux enhancements observed at interplanetary shocks using only a laminar interplanetary magnetic field, Archimidean spiral, and a spherical oblique shock with typical speed, strength, and shock normal-magnetic field angle.

Armstrong, T. P.↗

The Mira–Titan Universe – IV. High-precision power spectrum emulation

Modern cosmological surveys are delivering data sets characterized by unprecedented quality and statistical completeness; this trend is expected to continue in the future as new ground- and space-based surveys come online. In order to maximally extract cosmological information from these observations, matching theoretical predictions are needed. At low redshifts, the surveys probe the non-linear regime of structure formation where cosmological simulations are the primary means of obtaining the required information. The computational cost of sufficiently resolved large-volume simulations makes it prohibitive to run very large ensembles. Nevertheless, precision emulators built on a tractable number of high-quality simulations can be used to build very fast prediction schemes to enable a variety of cosmological inference studies. We have recently introduced the Mira–Titan Universe simulation suite designed to construct emulators for a range of cosmological probes. This gravity-only set of simulations covers the standard six cosmological parameters {ω m , ω b , σ 8 , $h, n_s, w_0$} and, in addition, includes massive neutrinos and a dynamical dark energy equation of state {ω ν , $w_a$}. In this paper, we present the final emulator for the matter power spectrum based on 111 cosmological simulations, each covering a (2.1 Gpc) 3 volume and evolving 3200 3 particles. In this work, an additional set of 1776 lower resolution simulations and TimeRG perturbation theory results for the power spectrum are used to cover scales straddling the linear to mildly non-linear regimes (maximum wavenumber $\textit{k}$ = 5 Mpc –1 ). The emulator provides predictions at the 2–3 percent level of accuracy over a wide range of cosmological parameters and is publicly released as part of this paper.

79 ASTRONOMY AND ASTROPHYSICS↗

Impact of the Field of a Magnetic Force Microscope Probe on the Skyrmion State in a Modified Co/Pt Film with Perpendicular Anisotropy

We present the results of experiments on the local magnetization reversal of artificial magnetic skyrmions in a Co/Pt multilayer film with a perpendicular magnetization by a magnetic force microscope (MFM) probe. The sample was a Co/Pt film containing an array of cylindrical regions with reduced anisotropy, modified by a focused He{sup +} ion beam. The magnetic state of the sample was monitored by magnetic force microscopy. The magnetization reversal was performed by the MFM probe field during passes over the sample at low altitudes. The effects of the interaction of the field of the MFM probe with the skyrmion state of magnetization in these structures are investigated by micromagnetic simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗