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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Affinity for OH – Produces Four-Coordinated Zn 2+ Impurities in Hydrated Amorphous Calcium Carbonate

Using ab initio based molecular dynamics and electronic structure calculations, we show that Zn impurities in hydrated amorphous calcium carbonate (ACC) have a much lower coordination number than other divalent impurities due to covalent interactions between the 3d Zn shell and the oxygen atoms of the carbonate and water groups. Further, the local structure around Zn in ACC, including the predicted low coordination number, is confirmed by X-ray absorption spectroscopy of synthetic Zn-bearing ACC. The strong Zn–O chemical interaction leads to substantial water dissociation and slightly disrupts the hydrogen bonding network. Implications of Zn 2+ incorporation for ACC stability are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Generalized impurity pinch in partially magnetized multi-ion plasma

In a two-ion-species plasma with disparate ion masses, heavy ions tend to concentrate in the low-temperature region of collisionally magnetized plasma and in the high-temperature region of collisionally unmagnetized plasma, respectively. Moreover, collisional magnetization can be determined as the ratio of the light ion gyrofrequency to the collision frequency of light and heavy ion species, and the behavior of this effect in the intermediate regime of partially magnetized plasma is predominantly dependent on this Hall parameter. Multi-ion cross-field transport has been described before in the collisionally magnetized plasma regime, and generalized pinch relations, which describe densities of ion species in equilibrium in that plasma, are found in the literature. Here, the role of collisional magnetization and Larmor magnetization in multi-ion collisional transport is clarified, and generalized pinch relations are extended to the partially magnetized regime in which the ion Hall parameter may be small, as long as electrons remain collisionally magnetized. Equilibrium ion density profiles have the same dependence on external forces and on each other regardless of collisional magnetization of ions. The expansion of the range of validity of multi-ion collisional transport models makes them applicable to a wider range of laboratory plasma conditions. In particular, ion density profiles evolve sufficiently fast for radial impurity transport to be observable around stagnation on MagLIF, leading to expulsion of heavy ion impurities from the hotspot as long as plasma becomes sufficiently collisionally magnetized during the implosion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Erosion and impurity transport for the edge localized mode suppression window in KSTAR

A 3D analysis of plasma wall interactions and global impurity transport for the edge localized mode suppression window in KSTAR during H-Mode discharges has shown that carbon erosion at the divertor plates is a strong function of the resonant magnetic perturbation (n = 1) coil current and relative phasing. The Generalized Perturbation Equilibrium Code was used to determine a realistic initial perturbed plasma equilibrium, and EMC3-EIRENE was used to calculate the resulting scrape-off layer plasma used in this study as a fixed background for the ERO2.0 plasma–material interaction model. The resulting transport leads to deposition of impurities along the targets positioned at the high-field side of the device. An attempt at calculating the resulting effective charge state has demonstrated a similar dependence on the perturbation coil current and has been able to determine a window for the experimentally observed values of Zeff by including contributions of all ionized carbon charge states and deuterium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Separatrix-to-Wall Simulations of Impurity Transport with a Fully Three-Dimensional Wall in DIII-D

A novel multi-code workflow to interpret collector probe deposition patterns in DIII-D has been developed. The components of the workflow consist of a detailed computer-aided design (CAD) file of the vessel wall and the scrape-off layer (SOL) codes MAFOT, OSM, DIVIMP and 3DLIM. A special-purpose toolkit enables passing the output of these codes between each other to provide a full-SOL picture of impurity transport. A demonstration of the workflow is described to support evidence of near-SOL tungsten parallel accumulation during trace W impurity experiments on DIII-D. Iteration between simulated deposition patterns in 3DLIM and DIVIMP predicts a region of elevated W density near the separatrix about halfway between the outboard midplane and the top of the plasma. Furthermore, this workflow will be used to better interpret collector probe experiments on DIII-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

The impact of non-local parallel electron transport on plasma-impurity reaction rates in tokamak scrape-off layer plasmas

Abstract Plasma-impurity reaction rates are a crucial part of modelling tokamak scrape-off layer (SOL) plasmas. To avoid calculating the full set of rates for the large number of important processes involved, a set of effective rates are typically derived which assume Maxwellian electrons. However, non-local parallel electron transport may result in non-Maxwellian electrons, particularly close to divertor targets. Here, the validity of using Maxwellian-averaged rates in this context is investigated by computing the full set of rate equations for a fixed plasma background from kinetic and fluid SOL simulations. We consider the effect of the electron distribution as well as the impact of the electron transport model on plasma profiles. Results are presented for lithium, beryllium, carbon, nitrogen, neon and argon. It is found that electron distributions with enhanced high-energy tails can result in significant modifications to the ionisation balance and radiative power loss rates from excitation, on the order of 50%–75% for the latter. Fluid electron models with Spitzer-Härm or flux-limited Spitzer-Härm thermal conductivity, combined with Maxwellian electrons for rate calculations, can increase or decrease this error, depending on the impurity species and plasma conditions. Based on these results, we also discuss some approaches to experimentally observing non-local electron transport in SOL plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Micro-trench measurements of the net deposition of carbon impurity ions in the DIII-D divertor and the resulting suppression of surface erosion

In this work, we report carbon impurity ion incident angles and deposition rates, along with silicon erosion rates, from measurements of micro-engineered trenches on a silicon surface exposed to L-mode deuterium plasmas at the DIII-D divertor. Post exposure ex-situ analysis determined elemental maps and concentrations, carbon deposition thicknesses, and erosion of silicon surfaces. Carbon deposition profiles on the trench floor showed carbon ion shadowing that was consistent with ERO calculations of average carbon ion angle distributions (IADs) for both polar and azimuthal angles. Measured silicon net erosion rates negatively correlated with the deposited carbon concentration at different locations. Differential erosion of surfaces on two different ion-downstream trench slope structures suggested that carbon deposition rate is affected by the carbon ion incident angle and significantly suppressed the surface erosion. The results suggest the C impurity ion incident angles, determined by the IADs and surface morphology, strongly affect erosion rates as well as the main ion (D, T, He) incident angles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Impurity transport in ion- and electron-root confinement scenarios at Wendelstein 7-X

This paper reports on the observation of enhanced Ar impurity confinement in high density, turbulence reduced ion-root confinement (IRC) scenarios in Wendelstein 7-X (W7-X). Compared to the central electron-root confinement (CERC), Ar densities are substantially increased up to one order of magnitude and Ar flux profiles switch from slightly positive to pronounced negative fluxes all along the plasma radius in IRC. Estimations of the diffusive D and convective V transport parameter profiles using the STRAHL impurity transport code suggest a fundamentally different behavior in CERC and IRC with, compared to neoclassical values, high diffusive D and typical V profiles in CERC versus strongly reduced D and pronounced negative V profiles in IRC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Sustained edge-localized-modes suppression and radiative divertor with an impurity-driven instability in tokamak plasmas

We report simultaneous control of the large edge localized modes (ELMs) and divertor heat fluxes in a metal wall environment is a critical issue for steady-state operation of a tokamak fusion reactors. Here we report a sustained ELM suppression scenario achieved in the EAST tokamak compatible with radiative divertor using different seeding impurity species over a wide range of conditions. A low-n mode appears, as manifested by the oscillations of a radiation front near the X-point. This mode appears to drive strong particle transport and tungsten exhaust, which is essential to the maintenance of the ELM-stable state. We have developed a model to explain the mode excitation, by coupling the impurity radiative condensation instability to drift waves, which could explain some characteristics of the low-n mode well. The low-n mode may offer a new ELM-stable scenario compatible with radiative divertor for future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Resonance in radio frequency sheath admittance and enhanced impurity emission near the ion cyclotron frequency

Ion cyclotron resonance heating (ICRH) is of considerable interest among all auxiliary heating techniques, because it transfers power directly to ions, targets the high-density core, and involves the cheapest radio-frequency (RF) components. During ICRH operation, RF sheaths form on the ICRH antenna itself, nearby hardware, and far-field surfaces. These sheaths are associated with large hot-spot formation and impurity emissions. This work presents high-resolution numerical modelling of RF sheaths in nuclear fusion scenarios using hPIC2, a Debye-scale particle-in-cell code. The modelling reveals a new RF sheath phenomenon which occurs when the RF is resonant with a species ion cyclotron frequency or harmonic in an oblique magnetic field. This resonance of the RF sheath causes modifications of the energy-angle distributions of the ions impacting on the walls, with consequent increase in wall impurity emission. Due to the 1/ R scaling of the magnetic field in a tokamak, such cases are possible on divertor or vacuum chamber surfaces, depending on the geometry of the tokamak and the RF heating scenario. A simple physics interpretation using a driven damped harmonic oscillator is proposed, where the ion sheath transit time plays the role of damping the RF sheath admittance. Critically, the resonance leads to increased ion heat flux at the wall as well as increased physical sputtering, despite a lack of increase in RF rectified sheath potential.

ICRH antenna↗
DOE OSTI2023

Global gyrokinetic simulations of electrostatic microturbulent transport in LHD stellarator with boron impurity

Abstract Global gyrokinetic simulations of electrostatic microturbulent transport for discharge # 166256 of the Large Helical Device stellarator in the presence of boron impurity show the co-existence of the ion temperature gradient (ITG) turbulence and trapped electron mode (TEM) turbulence before and during boron powder injection. ITG turbulence dominates in the core, whereas TEM dominates near the edge, consistent with the experimental observations. Linear TEM frequency increases from ∼ 80 kHz to ∼ 100 kHz during boron injection, and ITG frequency decreases from ∼ 20 kHz to ∼ 13 kHz, consistent with the experiments. The poloidal wave number spectrum is broad for both ITG (0–0.5 mm −1 ) and TEM (0–0.25 mm −1 ). The nonlinear simulations with boron impurity show a reduction in the heat conductivity compared to the case without boron. The comparison of the nonlinear transport before and during boron injection shows that the ion heat transport is substantially reduced in the region where the TEM is dominant. However, the average electron heat transport throughout the radial domain and the average ion heat transport in the region where the ITG is dominant are similar. The simulations with boron show the effective heat conductivity values qualitatively agree with the estimate obtained from the experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Real-time evolution of Anderson impurity models via tensor network influence functionals

In this work, we present and analyze two tensor network-based influence functional approaches for simulating the real-time dynamics of quantum impurity models such as the Anderson model. Via comparison with recent numerically exact simulations, we show that such methods accurately capture the long-time nonequilibrium quench dynamics. The two parameters that must be controlled in these tensor network influence functional approaches are a time discretization (Trotter) error and a bond dimension (tensor network truncation) error. We show that the actual numerical uncertainties are controlled by an intricate interplay of these two approximations, which we demonstrate in different regimes. Our work opens the door to using these tensor network influence functional methods as general impurity solvers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2022

Polarization as a Discriminator of Light-Absorbing Impurities in or Above Snow

This conceptual study presents advanced radiative transfer computations of light polarization originating from a snowpack consisting of nonspherical grains and variable content of light-absorbing impurities, either embedded in the snowpack or (with the same optical properties) lofted above it in the form of atmospheric aerosols. The results highlight the importance of considering shapes other than spherical for the snow grains, which otherwise can lead to non-negligible errors in the retrieval of snow albedo from remote sensing observations. More importantly, it is found that polarimetric measurements provide a means to partition light-absorbing impurities embedded in the snowpack from absorbing aerosols aloft, a task traditionally prohibitive for sensors capable exclusively of measurements of total reflectance. Heritage techniques to obtain snow grain size from shortwave infrared observations of total reflectance are well established, as are those that leverage polarimetric, multiangular observations across the entire optical spectrum to characterize the optical and microphysical properties of atmospheric aerosols. The polarization signatures of near-infrared (e.g., 864 nm) observations carry critical information on snow grain shape. The prospected launch of space-borne polarimeters with proven accuracy, therefore, advocates for the development of data inversion schemes, to boost the accuracy of simultaneous retrievals of atmospheric and surface parameters in the polar and snow-covered regions, critical to climate studies.

light polarization↗
DOE OSTI2021

1,3,5-Trichloro-2,4,6-Trinitrobenzene: The Elusive Impurity Standard

1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is an insensitive high explosive synthesized in two steps; 1,3,5-trichloro-2,4,6-trinitrobenzene (TCTNB) is the only intermediate. Due to solubility limitations, TATB is often dissolved in dimethylsulfoxide (DMSO) for liquid chromatography-mass spectrometry (LC–MS) analyses; however, DMSO is capable of participating in a wide variety of reactions. Intending to use it as an impurity standard, TCTNB was dissolved in DMSO. A stark color change from colorless to yellow accompanied by wavelength and ion chromatogram changes occurred over 24 hours. Three compounds were identified as causing the color change. All three were present in both acetone and DMSO solutions, but, overtime the absorbance spectra of the DMSO solution changed indicating an underlying reaction occurs between these compounds and DMSO. The chemical formulas of impurities present in the TCTNB sample as well as reaction products are identified via quadrupole time of flight mass spectrometry. The chemical structures are also proposed. The combination of the solvent system, ionization technique, and halogenated/nitrated aromatic ring structures resulted in substitutions of both the chlorine and nitro groups to hydroxyl groups. Furthermore, three proposed structures were closely related to TCTNB, but only one was detected at a consistent mass and absorbance wavelength in both acetone and DMSO. This compound had undergone a chlorine to hydroxyl substitution and should be utilized for TCTNB detection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Impurity Powder Injection Experiments in the Large Helical Device

The Impurity Powder Dropper (IPD) is a device capable of injecting controlled amounts of sub-millimetre powder into the plasma under the action of gravity. In 2019 the IPD was first installed on the Large Helical Device (LHD) in Japan, with the aim of improving the plasma performances through real time boronization and assessing the compatibility of this technique with steady state operation. Extensive series of experiments have been performed using the IPD, focused on the improvement of the plasma performance via low-Z powder injection and the understanding of the underlying physical phenomena. In this article, we review the experiments that took place in the period 2019-2024. The main results include the demonstration of the improvement of the wall conditions (reduction of intrinsic impurity content, wall recycling) both on a shot-to-shot basis and in real time. Furthermore, a reduced-turbulence improved confinement regime has been observed coincident with powder injection, resulting in an increase of the plasma temperature of the order of 25%, with enhancements that can reach up to 50% for ion temperature.

Nespoli, F. [Princeton Plasma Physics Laboratory (↗
DOE OSTI2021

Measurement of 227 Ac impurity in 225 Ac using decay energy spectroscopy

225 Ac is a valuable medical radionuclide for targeted $\alpha$ therapy, but 227 Ac is an undesirable byproduct of an accelerator-based synthesis method under investigation. Sufficient detector sensitivity is critical for quantifying the trace impurity of 227 Ac, with the 227 Ac/ 225 Ac activity ratio predicted to be approximately 0.15% by end-of-bombardment (EOB). Superconducting transition edge sensor (TES) microcalorimeters offer high resolution energy spectroscopy using the normal-to-superconducting phase transition to measure small changes in temperature. By embedding 225 Ac production samples in a gold foil thermally coupled to a TES microcalorimeter we can measure the decay energies of the radionuclides embedded with high resolution and 100% detection efficiency. This technique, known as decay energy spectroscopy (DES), collapses several peaks from $\alpha$ decays into single Q-value peaks. In practice there are more complex factors in the interpretation of data using DES, which we will discuss in this paper. Using this technique we measured the EOB 227 Ac impurity to be (0.142 ± 0.005)% for a single production sample. This demonstration has shown that DES is a useful tool for quantitative measurements of complicated spectra.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Effect of pressure on high-temperature oxidation of Ni alloys in supercritical CO 2 containing impurities

Direct supercritical CO 2 (sCO 2 ) power cycles require structural materials compatible with hot sCO 2 containing high levels of water and oxygen impurities. Chromia-forming Ni-based superalloys, which are leading candidates at temperatures > 600 °C, have shown good compatibility in pure sCO 2 , however potential impurity effects are not well understood. In this report we exposed several commercial Ni-based alloys to 95%CO 2 -4%H 2 O-(1-3)%O 2 at 750 °C and 0.1 or 20 MPa for 2500 h. Protective chromia scales formed in all cases. Nevertheless, water vapor-assisted oxide volatilization clearly occurred at high pressure. The volatilization rates decreased with time, but still represent a potentially serious compatibility issue in real, high-velocity, sCO 2 systems.

36 MATERIALS SCIENCE↗