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At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Modeling the effect of nitrogen recycling on the erosion and leakage of tungsten impurities from the SAS-VW divertor in DIII-D during nitrogen gas injection

The new SAS-VW divertor in DIII-D has tungsten-coated components to enable the study of tungsten erosion and leakage from a closed, slot-like divertor. A proposed method of actively managing the tungsten impurities is to inject low-Z impurities, such as nitrogen, into the Scrape-off-Layer (SOL) to modify the conditions in the plasma boundary and in turn manipulate both the erosion and subsequent transport of tungsten. Nitrogen injection from the SOL crown has been modeled using SOLPS-ITER to calculate the background plasma including the intrinsic carbon and the injected nitrogen impurities, and subsequently DIVIMP has been used to calculate the tungsten erosion and transport on top of the background plasma solution. This workflow has been used to model scenarios at a variety of nitrogen injection rates with different assumptions about the nitrogen recycling at the target. In the scenario modeled here, an optimal nitrogen injection rate around 3-4 x 10 20 N/s is found to reduce the amount of tungsten reaching the core by a factor of about 2.4. However, when the nitrogen recycling rate at the divertor targets is high, the nitrogen redistributes within the slot leading to increased tungsten sputtering, and the range of injection rates resulting in tungsten mitigation becomes narrower.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Inversion of dislocation-impurity interactions in α -Fe under magnetic state changes

Here, in this work, we investigate the dislocation-impurity interaction energies and their profiles for various 3d elements —V, Cr, Mn, Cu, Ni, and Co —in and around 1/2 $\langle111\rangle$ screw dislocations in α -Fe using ab initio methods. We consider the ferromagnetic and paramagnetic states, with the latter being modeled through both the disordered local moment model and a spin-wave approach. Our findings reveal that (1) magnetic effects are large compared to size misfit effects of substitutional impurities, and (2) dislocation-impurity interactions are dependent on the magnetic state of the matrix and thermal lattice expansion. In particular, Cu changes from core-attractive in the ferromagnetic state to repulsive in the paramagnetic state.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Real-Time Detection of Hydrogen and Ammonia Isotopologues for Impurity Removal and Recovery of Tritium

To accommodate gas measurements for impurity removal and recovery of tritium, a silver-coated optical or waveguide is employed for collecting Raman scattered signals to determine relative hydrogen and ammonia isotopologue populations in real time. The data and results presented here demonstrate an analytical methodology for the analysis of four ammonia and three hydrogen isotopologues in a hydrogen–deuterium exchange reaction by gas phase Raman spectroscopy. Standard chemometric modeling techniques effectively unravel the signatures of the isotopologues involved observed here; however, a sophisticated quantum chemical approach supports the spectral assignments. An interpretation of the data presented here can emphasize the practicality and reliability of the gaseous monitoring system in complex chemical environments for the hydrogen fuel economy as well as the more distant energy source from a facility that handles tritium. There are still considerable concerns about the measurement of tritium in isotope separation and radiological impurities from gas processing. A common impurity in gas processing is ammonia, which can form readily in the presence of nitrogen and tritium. Substituted ammonia (NQ 3 ), where Q = H, D, or T, is traditionally removed through getters or diffusers along with other non-hydrogen contaminants. A preferable analytical approach is noninvasive and can be deployed for real-time process evaluation in radiological environments.

Ammonia↗
DOE OSTI2019

Inhibition of AlF3·3H2O Impurity Formation in Ti3C2Tx MXene Synthesis under a Unique CoFx/HCl Etching Environment

MXenes, most commonly transition metal carbides, are a family of two-dimensional (2D) materials with promising potential in, among other applications, supercapacitors and batteries. MXenes are synthesized by etching of aluminum or gallium layers in its parent MAX phase directly by HF or by HF in situ formation using a fluoride salt and strong acid. A commonly undesired byproduct of MXene synthesis is AlF3·3H2O. To relieve MXenes from AlF3·3H2O impurity, it is important to elucidate the factors that drive its formation. Here, we dually deduce the conditions that lead to AlF3·3H2O formation while exploring etching with cobalt fluorides (CoF2/CoF3). Previously uncharacterized, etching with cobalt fluorides offers a forthright method to etch MXenes while intercalating cobalt cations. The influence of this etching environment and AlF3·3H2O formation on MXene’s structure, morphology, and surface bonding is investigated. Ionic strength of solution used for etching is found to be a critical driving factor in the formation of AlF3·3H2O impurity formation. Specifically, when the ionic strength falls between ~8.5 and 10 M, AlF3 complexation is stable. As a result, Ti3C2Tx MXene phase with AlF3·3H2O impurity is obtained. In contrast, near-pure MXene is the only solid state product when I is smaller than 8.5 M or larger than 10 M. Hence, high purity MXene phase can be synthesized by subtle compositional tuning to manipulate the ionic strength of the etching environment.

Cockerham, Cody B.↗
DOE OSTI2019

Extended Cycling through Rigid Block Copolymer Electrolytes Enabled by Reducing Impurities in Lithium Metal Electrodes

Successful prevention of lithium dendrite growth would enable the use of lithium metal as an anode material in next-generation rechargeable batteries. Mechanically stiff block copolymer electrolytes have been shown to prolong the life of lithium metal cells by partially suppressing lithium dendrite growth. Yet, impurity particles that are invariably present in the lithium metal nucleate electrodeposition defects that eventually lead to short circuits. Here, we use X-ray tomography to study the morphology of electrodeposited lithium in symmetric cells containing a block copolymer electrolyte. An "electrochemical filtering" treatment was performed on these cells to reduce the concentration of impurity particles near the electrode-electrolyte interface, and cells were cycled to determine the effects of the treatment on lifetime. Depending on the treatment details, the average charge passed before failure was improved by 30-400%. For a cell in which the treatment was most effective, the cycle life was increased by more than an order of magnitude, and the measured number of deposition defects per area was negligible. Other treated cells, however, in which the treated lithium was imperfect, had a higher number of deposition defects per area compared to control cells. A majority of the deposition defects in treated cells were confined within the electrodes. In contrast, most of the deposition defects seen in the control cells were protrusions that invaded the electrolyte phase. The increased lifetime in these imperfectly treated cells was not due to a reduction in the number of deposition defects per area, but rather due to the differences in defect morphology. These findings motivate the development of deposition defect- and impurity-free lithium metal electrodes.

25 ENERGY STORAGE↗
DOE OSTI2025

Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model

Solid-state synthesis is widely used to obtain various inorganic materials, such as battery materials and bulk thermoelectrics. Despite its prevalence, the process remains challenging due to the lack of a general theory and well-understood underlying reaction mechanisms. While prior works have successfully extracted structured datasets from literature, they often neglect product phase purity or yield. In this work, we construct a solid-state synthesis dataset consisting of 80,806 syntheses extracted with a large language model (LLM), including 18,869 reactions with impurity phase(s). Our dataset not only validates expected thermodynamic trends for impurity phase formation but also identifies challenging cases where impurity phases emerge even when the target phase is significantly more stable.

Lee, Sanghoon↗
DOE OSTI2023

Adhesion of impure ice on surfaces

The undesirable buildup of ice can compromise the operational safety of ships in the Arctic to high-flying airplanes, thereby having a detrimental impact on modern life in cold climates. The obstinately strong adhesion between ice and most functional surfaces makes ice removal an energetically expensive and dangerous affair. Hence, over the past few decades, substantial efforts have been directed toward the development of passive ice-shedding surfaces. Conventionally, such research on ice adhesion has almost always been based on ice solidified from pure water. However, in all practical situations, freezing water has dissolved contaminants; ice adhesion studies of which have remained elusive thus far. Here, in this work, we cast light on the fundamental role played by various impurities (salt, surfactant, and solvent) commonly found in natural water bodies on the adhesion of ice on common structural materials. We elucidate how varying freezing temperature & contaminant concentration can significantly alter the resultant ice adhesion strength making it either super-slippery or fiercely adherent. The entrapment of impurities in ice changes with the rate of freezing and ensuing adhesion strength increases as the cooling temperature decreases. We discuss the possible role played by the in situ generated solute enriched liquid layer and the nanometric water-like disordered ice layer sandwiched between ice and the substrate behind these observations. Our work provides useful insights into the elementary nature of impure water-to-ice transformation and contributes to the knowledge base of various natural phenomena and rational design of a broad spectrum of anti-icing technologies for transportation, infrastructure, and energy systems.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Preliminary Result of Neoclassical Impurity Transport Affected by ICRH with a 4-D Fokker-Planck Code

To understand the role of ion cyclotron resonance heating (ICRH) in mitigating tungsten accumulation, we evaluate the impact of ICRH-induced poloidal asymmetries on neoclassical impurity transport using a newly developed 4-D Fokker–Planck code (FP4D). Unlike conventional approaches that separate RF heating and transport modelling, FP4D solves both fast-ion distribution formation and impurity transport self-consistently without bounce-averaging. Benchmarking against the NEO code confirms the accuracy of the neoclassical physics in FP4D. Using FP4D, we analyze anisotropic and non-Maxwellian minority distributions under ICRH and their effects on the equilibrium potential and tungsten transport. Results show that anisotropy induced poloidal potential variations can reduce inward tungsten flux, depending on the modelling approach. Our findings highlight the importance of resolving the full velocity and poloidal structure of minority species in predicting impurity transport under strong RF heating conditions.

Jeong, Yunho [Hanyang Univ., Seoul (Korea, Republi↗
DOE OSTI2017

Probing carbon impurities in hexagonal boron nitride epilayers

In this paper, carbon doped hexagonal boron nitride epilayers have been grown by metal organic chemical vapor deposition. Photocurrent excitation spectroscopy has been utilized to probe the energy levels associated with carbon impurities in hexagonal boron nitride (h-BN). The observed transition peaks in photocurrent excitation spectra correspond well to the energy positions of the bandgap, substitutional donors (C B , carbon impurities occupying boron sites), and substitutional acceptors (C N , carbon impurities occupying nitrogen sites). From the observed transition peak positions, the derived energy level of C B donors in h-BN is E D ~ 0.45 eV, which agrees well with the value deduced from the temperature dependent electrical resistivity. The present study further confirms that the room temperature bandgap of h-BN is about 6.42–6.45 eV, and the C N deep acceptors have an energy level of about 2.2–2.3 eV. Finally, the results also infer that carbon doping introduces both shallow donors (C B ) and deep acceptors (C N ) via self-compensation, and the energy level of carbon donors appears to be too deep to enable carbon as a viable candidate as an n-type dopant in h-BN epilayers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Probing and controlling oxygen impurity diffusion in h -BN semi-bulk crystals

Combining its unique features of ultrawide bandgap (UWBG) and two-dimensional nature, h-BN has been explored for emerging applications such as deep ultraviolet optoelectronic devices and single photon emitters. One of the unusual applications of h-BN is for solid-state neutron detectors by utilizing the property of high thermal neutron capture cross section of B-10 as well as its UWBG properties. Although a record high detection efficiency of 59% has been attained by h-BN detectors, the understanding/minimization of defects and impurities is still needed to further advance the h-BN material and detector technologies. We report metal organic chemical vapor deposition growth and oxygen (O) impurity diffusion in thick h-BN. The diffusion coefficient (D) of O impurities has been measured via the evolution of an oxygen related emission with the etching depth, providing a value of D of ∼ 2 × 10−13 cm2/s at 1450 °C and supporting the interpretation that oxygen in h-BN is a substitutional donor. A multiple-buffer-layer approach was employed to mitigate to a certain degree the issue of oxygen diffusion from sapphire substrate during growth. It was demonstrated that the performance of h-BN neutron detectors fabricated from the wafer incorporating multiple buffer layers was significantly improved, as manifested by the enhanced thermal neutron detection efficiency. The advancement of the crystal growth technology of h-BN semi-bulk crystals creates applications in optoelectronic and power electronic devices utilizing the UWBG semiconductor properties of h-BN, while high efficiency h-BN neutron detectors have the potential to supplant the traditional He-3 gas detectors in various application areas by offering the obvious advantages of UWBG semiconductor technologies.

Physics↗
DOE OSTI2024

Implementation of an impurity diagnostic suite on the Pegasus-III experiment

A suite of diagnostics used to assess impurity content and dynamics has been updated, upgraded, and installed on the Pegasus-III Experiment. Typical plasma parameters during local helicity injection start-up are τ shot ~10 ms, n e ~ 1 × 10 19 m –3 , and T e ~ 50 eV. The deployed diagnostics are compatible with this modest temperature and density regime and provide species identification, source localization, and estimation of radiation losses. Impurity species are determined by recording time-evolving, single line-of-sight spectra at 1.25 kfps using a SPRED (Survey, Poor Resolution, Extended Domain) vacuum ultraviolet spectrometer. SPRED is equipped with 450 g/mm grating, giving a spectral resolution of 0.33 nm and a spectral range from ~10 to 110 nm, useful to identify light impurity species in this temperature and density range. An absolutely calibrated spectrometer that collects light from the plasma at R tan = 15.9 cm and Δt ≥ 2 ms is used as a visible survey spectrometer and for continuum measurements. The radiated power from the plasma is estimated with a photodiode-based diagnostic. Two 16-channel absolute extreme ultraviolet diode arrays are placed behind pinhole apertures, resulting in 32 lines of sight at Z = 0, with a spatial resolution of 2–3 cm and a time response of 60 kHz. A photometrically calibrated collinear D α /near infrared filtered photodiode-based system measures the D α emission and around 1040 nm. All these instruments have been designed to suppress electromagnetic interference from megawatt-class switching power supplies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Record performance in intrinsic, impurity-free lateral diamond photoconductive semiconductor switches

Photoconductive semiconductor switches (PCSSs) are fabricated on type IIa diamond substrates with varying boron and nitrogen impurity levels (<10 14 –10 16 cm –3 ). The photoresponse of lateral PCSS is reported over the incident laser wavelength range (212–240 nm), energy per pulse (5–65 μJ), and DC bias (–1.2 to +1.2 kV). The PCSS device with the lowest boron and nitrogen impurity concentration achieves the highest normalized responsivity of 9.1 × 10 –8 A-cm/W-V, peak photocurrent of 8.0 A, and on/off ratio of 2.3 × 10 11 at a DC bias of +1.2 kV with the potential for even higher currents at increased DC bias. All PCSS display fast rise times (<3 ns), limited by the laser's rise time. However, photoresponse measurements reveal that higher impurity levels reduce the photocurrent and decrease the on/off ratio. Furthermore, these results highlight the performance advantages of using low background concentration type IIa diamond substrates for PCSS fabrication and present a promising route toward advanced high-power, high-speed diamond-based switches.

42 ENGINEERING↗
DOE OSTI2026

Effects of Uranium Impurities in Downblended HEU on HTGR Performance

Many advanced reactor designs require fuel enriched between 5% and 20% 235 U. To assist in producing fuel at these enrichment levels, government-owned inventories of highly enriched uranium can be downblended. However, fuel produced from these inventories contain uranium impurities that are not often found when enriching natural uranium or accounted for when modeling reactor cores. To address this concern, this work models reactor designs like the X-energy Xe-100 and the Ultra Safe Nuclear Company’s Micro Modular Reactor, and compares their performance with fuel from enriching natural uranium to fuel from downblended highly enriched uranium. This paper evaluates the models based on the effective neutron multiplication factor, k eff , effective delayed neutron fraction, β eff , and energy- and spatially dependent neutron flux, ϕ, as well as the fuel, coolant, moderator, and total reactivity temperature feedback coefficients, α F , α C , α M , and α T . The results show that the fuel from downblended highly enriched uranium inventories leads to differences in each of the metrics, especially in the keff values. In the Xe-100–like and Micro Modular Reactor–like models, k eff changes by about 1400 pcm and up to 1200 pcm, respectively. Total reactivity feedback coefficients α T are negative with the impure fuels and the keff values remain above 1 for each core configuration and fuel composition. These results show that the impure fuel compositions do not necessarily prevent achieving key design parameters, such as cycle length, or from operating in a safe condition.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Impurity transport, turbulence transitions and intrinsic rotation in Alcator C-Mod plasmas

Linear and nonlinear gyrokinetic simulations are used to probe turbulent impurity transport in intrinsically rotating tokamak plasmas. For this simulation-based study, experimental input parameters are taken from a pair of ICRF heated Alcator C-Mod discharges exhibiting a change in the sign of the normalized toroidal rotation gradient at mid-radius (i.e. a change from hollow to peaked intrinsic rotation profiles). The simulations show that there is no change in the peaking of the calcium impurity between the plasmas with peaked and hollow rotation profiles, suggesting that the impurity transport and the shape of the rotation do not always change together. Furthermore, near mid-radius, r/a = 0.5 (normalized midplane minor radius), the linear and nonlinear gyrokinetic simulations exhibit no evidence of a transition from ion temperature gradient (ITG) to trapped electron mode dominance when the intrinsic rotation profile changes from peaked to hollow. Finally, extensive nonlinear sensitivity analysis is performed, and there is no change in the ITG critical gradient or in the stiffness of ion heat transport with the change in the intrinsic toroidal rotation profile shape, which suggests that the shape of the rotation profile is not dominated by the ITG onset in these cases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Impurity screening and Friedel oscillations in Floquet-driven two-dimensional metals

We develop a theory for the non-equilibrium screening of a charged impurity in a two-dimensional electron system under a strong time-periodic drive. Our analysis of the time-averaged polarization function and dielectric function reveals that Floquet driving modifies the screened impurity potential in two main regimes. In the weak drive regime, the time-averaged screened potential exhibits unconventional Friedel oscillations with multiple spatial periods contributed by a principal period modulated by higher-order periods, which are due to the emergence of additional Kohn anomalies in the polarization function. In the strong drive regime, the time-averaged impurity potential becomes almost unscreened and does not exhibit Friedel oscillations. Furthermore, this tunable Friedel oscillations is a result of the dynamic gating effect of the time-dependent driving field on the two-dimensional electron system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Reduced model of high-Z impurity redeposition and erosion in tokamak divertor and its application to DIII-D experiments

A reduced model of high-Z impurities erosion and redeposition is presented to analyze net erosion of tungsten material in divertor attached plasma conditions measured in DIII-D experiments. This reduced model is tailored to quantify the redeposition and the net erosion on high-Z material samples of sufficiently small dimensions to be considered exposed to uniform plasma conditions. For those uniform plasma conditions, the spatial distribution of redeposited high-Z impurities is well approximated by an analytical distribution characterized by a few parameters. The fraction of high-Z impurity eroding and redepositing on a material sample is then obtained by integrating this distribution across the material sample. Here, the ratio of net erosion rates of tungsten measured experimentally from tungsten samples of different sizes exposed to the same attached plasma conditions are well reproduced with this reduced model. It is shown that uncertainties induced by radially non-uniform plasma conditions in experiments can be significantly reduced by exposing samples to high density divertor plasma. Several enhanced experimental setups are proposed to measure and compare net erosion rates from samples of various areas during a single plasma experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Interpretative transport modeling of the WEST boundary plasma: main plasma and light impurities

Understanding impurity transport in tokamak plasmas is crucial to control radiative losses and material migration in future magnetic fusion reactors. In this work we deploy the SolEdge2D-EIRENE code to model the boundary plasma in a WEST discharge, satisfactorily reproducing measurements of both upstream and divertor plasma conditions. Additionally, the spatial distribution of oxygen, studied here as a representative light impurity, is compared to vacuum ultraviolet spectroscopy measurements acquired with an oscillating line of sight. The simulation captures a key feature of the experiment, namely a factor of sime2 higher oxygen brightness in the inner divertor region compared to the outer one. This spatial asymmetry in oxygen concentration is interpreted by analyzing the balance of friction forces and thermal gradient forces that the light impurity exchanges with the main plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Impurity radiation seeding of neoclassical tearing mode growth

Abstract The physics of neoclassical tearing modes (NTMs) is of great concern to tokamak plasma stability and performance, especially in the burning plasma regime. Whereas in many situations the seed events can be clearly identified, such as sawteeth and edge localized modes, the potential seeding mechanism of NTMs due to the resistive tearing instability driven by the impurity radiation cooling still needs more study. Recent NIMROD simulations have demonstrated that local impurity radiation cooling can drive the seed island growth and trigger the subsequent onset of NTM instability. The seed island is mainly driven by the local helical perturbation of the diamagnetic current induced by the perturbed pressure gradient as a result of the impurity radiative cooling on the rational surface. A heuristic closure for the neoclassical viscosity is adopted, and the seed island is further driven by the perturbed bootstrap current induced from the neoclassical electron viscous stress in the extended Ohm’s law. The growth rate of the NTM in simulations is found proportional to the electron neoclassical viscosity, and a theoretical neoclassical driving term is adopted to account for the nonlinear neoclassical island growth in the simulations.

Zeng, Shiyong (ORCID:000000017098818X)↗