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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Understanding the Role of Extrinsic Impurities in Bulk Nb SRF Cavities

High gradient and high quality factor superconducting radiofrequency (SRF) cavities are essential for efficient particle acceleration in next-generation accelerators. This work demonstrates that the superconducting performance of bulk niobium can be enhanced through a controlled introduction of interstitial oxygen and nitrogen. Thermal and chemical surface treatments modify the concentration and distribution of these impurities, enabling systematic tuning of SRF cavity performance. By combining cavity RF measurements with quantitative materials characterizations, we isolate the impact of impurity concentration on BCS surface resistance and identify the mechanisms by which interstitial impurities alter the superconducting properties of niobium. We find that nitrogen is an order of magnitude more effective than oxygen in reducing BCS resistance at 16 MV/m and that the reduction arises from a combination of mean free path optimization and superconducting gap enhancement. Using these insights, we develop a predictive model that estimates cavity performance directly from room temperature sample material studies, reducing the reliance on full-scale cryogenic tests for surface treatment development. We then apply this model to explore co-doping strategies, demonstrating that combining interstitial oxygen and nitrogen achieves a synergistic reduction in BCS resistance. These results establish co-doping as a viable path for the development of surface-engineered niobium for future high quality factor SRF applications.

Hu, Hannah [Chicago U.]↗
DOE OSTI2025

Unraveling Impurity-Dependent Morphological and Chemical Evolution of Ni–20Cr Alloy in Eutectic LiCl–KCl Molten Salt

Understanding the interfacial evolution of alloys in molten salt with different amounts of water (H 2 O) and oxygen (O 2 ) impurities is significant for applications in many fields, including concentrated solar power, molten salt reactors, and applications in pyrochemical reprocessing and electrorefining. Additionally, the impurity-driven corrosion mechanisms that lead to various morphological and chemical evolution characteristics at the interfaces of structural alloys and molten salts are not fully understood. In the present work, the three-dimensional (3D) morphological evolution of Ni-20Cr microwires in LiCl-KCl was studied at 500 °C under different moisture and oxygen conditions using in situ synchrotron transmission X-ray microscopy (TXM) and scanning transmission electron microscopy (STEM) techniques. No significant morphological changes were observed in Ni-20Cr microwires under vacuum conditions. However, the wires exhibited distinct morphological evolutions when exposed to molten salt containing H 2 O alone, as well as when both H 2 O and O 2 were present. Furthermore, Cr 2 O 3 precipitates were observed in the molten salt during corrosion with only H 2 O present, while Cr 6+ species were identified in the salt when O 2 was added. Further, these findings are crucial for understanding the corrosion mechanisms of molten salt with different amounts of H 2 O and O 2 contamination, providing insights for developing corrosion mitigation methods and improving the stability of containment alloys in molten salt applications.

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

Hole Trapping at Acceptor Impurities and Alloying Elements in AlN

Hole localization is a root cause of difficulties in p-type doping of aluminum nitride. Herein, the stability of localized holes in AlN and their susceptibility to self-trapping within bulk material or in the presence of isovalent elements and acceptor impurities are calculated. It is found that self-trapped holes are metastable in bulk AlN, and also exhibit a very low barrier to detrapping. However, holes become trapped in the presence of acceptor impurities as well as isovalent elements such as B, In, and Sc, and may contribute to the broad luminescence observed in AlN alloys. It is also found that hole trapping contributes to the large ionization energies for acceptors in AlN. Most acceptors can also trap a second hole, becoming positively charged and further exacerbating difficulties in doping aluminum nitride p type. Furthermore, the stability of trapped holes is found to scale with atomic size mismatch to Al.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Active Divertor Heat Flux Control using Impurity Powder Dropper

Divertor plasma-facing components (PFCs) in a tokamak are typically designed to withstand average steady-state heat loads of about 5–10 MW/m 2 , a limit that applies to both solid and liquid lithium (LL) PFCs. Exceeding these design values can result in surface damage to tungsten PFCs or excessive lithium (Li) evaporation in liquid lithium divertor (LLD) PFCs. Since exceeding the divertor heat load limits has serious consequences, it is therefore prudent to develop a tool to reduce the divertor heat load and bring the heat load to within the design limit without affecting the plasma performance. Active low Z impurity injection such as Li has been suggested as a potential solution to mitigate excess heat flux as suggested previously, given that non-coronal radiation can be quite large ~ 20–30 MJ per mole of injected Li. Li is considered desirable for reducing the edge neutral recycling helping to improve plasma energy confinement. In this paper, we model the Impurity Power Dropper (IPD) to investigate its potential of divertor heat flux control. The IPD is typically located at the top of the tokamak device and uses a vertical drift tube of a few meters. In the 2 m drift tube case, the IPD powder is accelerated to ~ 6 m/sec before reaching the plasma with the upper divertor configuration, matching the condition for the in-board side pellet injection case. By modeling the IPD geometry we determined the IPD powder deposition profile, and thus the non-coronal radiation and ionization profiles in time as well. From the enhanced radiation power loss, it is therefore possible to reduce the divertor heat load using the divertor simulation code. In conclusion, the IPD divertor heat flux control can be tested in the facilities with IPD including ST-40, DIII-D, EAST, WEST and NSTX-U.

Active lithium injection↗
DOE OSTI2018

A Study on the Wiedemann-Franz Law in a Granular s-Wave Superconductor, Given the Tunneling Between the Grains in Cooper Pair Fluctuation Propagator and Impurity Vertex

The present study tries to investigate Wiedemann-Franz law near and far from the critical temperatures, given the tunneling between the grains in Cooper pair fluctuation propagator and impurity vertex. By means of Dyson’s equation, the Cooper pair fluctuation propagator, L(qkΩ{sub μ}) and the Cooperon (impurity vertex), λ(q, k, ε{sub 1}, ε{sub 2}), are initially calculated in the presence of tunneling between the grains. Then, the three distinct contributions of density of states, Maki-Thompson, and Aslamazov-Larkin, are calculated in the frameworks of the Green’s functions formalism and the Kubo formula technique. The evaluation is conducted under the limited tunneling conductance between the grains. Findings show that although the tunneling is efficient near the critical temperature, it is not effective when it is far from the critical temperature Compared to that in high temperatures, moreover, the deviation from the Wiedemann-Franz law is much more evident in low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Electrical and Galvanomagnetic Properties of Extruded Samples of Bi{sub 85}Sb{sub 15} Solid Solutions with Pb and Te Impurities

The effect of tellurium impurities on the electrical conductivity (σ), Seebeck coefficient (α), and Hall coefficient R of extruded Bi{sub 85}Sb{sub 15} + 0.001 аt.% Pb is studied in the temperature range 77–300 K. It is found that doping with tellurium impurities up to 0.001 at. % compensating acceptor Pb atoms leads to a strong decrease in the electron density and, consequently, to an increase in σ and significant decrease in the values of α and R. The materials obtained can be used as the n-branch of thermoelements operating at temperatures of ~77 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Balancing Sodium Impurities in Alumina for Improved Properties

As there are direct and indirect impacts of feed material purity on the aluminum production process and metal grade, there is a high demand on the so-called pure smelter grade alumina (SGA)—the main feedstock for aluminum production. In this work, impurities within the precursor gibbsite used for SGA production and SGA are studied using NanoSIMS and XPS with a focus on sodium—the most abundant impurity. Although the industry trend is towards minimizing sodium due to the well-known negative impacts on the process, high sodium is also correlated with relatively attrition-resistant calcined products. Here, we show that this relationship is indirect and arises from sodium’s role in inhibiting α-alumina formation. Alpha alumina formation in SGA has previously been demonstrated to induce a macro-porous and therefore attrition-prone microstructure. Sodium distribution within the precursor gibbsite and its migration during the calcination process are proposed to be most likely responsible for the spatial distribution of α-alumina within the calcined product grain. This in turn determines the behavior of the product during its transportation and handling (i.e., attrition). Therefore, tolerance of a certain amount of sodium within the precursor material does demonstrate a net benefit while balancing its negative impacts on the process.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of oxide impurities on the corrosion behavior of structural materials in molten LiF-NaF-KF

The corrosion of materials in molten fluoride salts is largely influenced by the presence of impurities in the salt. Very few studies have been done on the effect of oxide impurities on the corrosion of structural alloys in molten fluoride salts. In this study, corrosion behavior of selected alloys was studied in molten FLiNaK with the addition of different oxides such as Li 2 O, NiO, and Cr 2 O 3 . The results show that addition of oxides can lead to significant effects on this corrosion, depending on the type and amount of oxide added and the alloy being used.

14 SOLAR ENERGY↗
DOE OSTI2025

Historic and modern nuclear graphite impurities: Pathways to improved waste strategies

Graphite has been used in large volumes as a structural material and neutron moderator since the earliest days of nuclear fission. However, no international consensus exists on the disposal of irradiated graphite, leaving much of the historic radioactive graphite inventory in interim vault or silo storage. With several new graphite-moderated reactors planned or under construction, the issue of graphite waste management is becoming increasingly urgent. This paper reviews and quantifies impurities in both historic and modern nuclear graphite, with emphasis on nitrogen—responsible for much of the 14 C inventory—and chlorine, which plays a critical role in repository performance and design. Modern graphites, benefitting from stringent quality-control measures developed for non-nuclear industries, meet or exceed the ASTM Ultra-High Purity nuclear standards, even without halide purification. Both chlorine and nitrogen concentrations have declined over time. For chlorine, identified as a key impurity influencing U.S. waste repository design, we propose a target of 0.1 appm in as-fabricated billets as a reasonable benchmark. Nitrogen sources are traced throughout the graphite production process, with surface and bulk concentrations characterized for all materials studied. Modern graphites commonly exhibit nitrogen levels below 5 appm, with values approaching 1 appm achievable. Using such reduced-nitrogen grades is critical to keeping graphite-induced radioactivity below the greater-than-Class-C waste threshold, thereby avoiding disposal cost penalties of nearly an order of magnitude.

Chlorine↗
DOE OSTI2022

Iron corrosion in the “inert” supercritical CO 2 , ab initio dynamics insights: How impurities matter

Metal corrosion from exposure to supercritical fluids is a long-standing challenge lacking atomistic understanding for effective corrosion prevention in diverse important applications. Here, in this work, reactions relevant to corrosion in supercritical CO 2 (sCO 2 ), with H 2 O and NO 2 as impurities, are revealed using ab initio molecular dynamics and enhanced sampling methods. While little reactivity is observed in bulk sCO 2 , the iron surface is found to play a crucial almost-catalytic role in its own corrosion, activating the inert CO2 and hence facilitating $\ast$HCO 3 – and $\ast$CO 3 2– formation at the interface. Moreover, the hydrogen bond network of $\ast$H 2 O assists the H shuttling to the activated CO 2 and impurities, forming reactive species observed in experiments. Such atomistic insight elucidates the reaction mechanisms of metal corrosion in aqueous and supercritical fluids and can point to possible remedies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Impurity gas monitoring using ultrasonic sensing and neural networks: forward and inverse problems

Ultrasonic sensing is a non-invasive technique for monitoring impurity gas composition in various industrial applications where safety and regulatory compliance are crucial. In this study, ultrasonic sensing and neural networks were used to analyze impurity gases (i.e., air and argon) in helium. An experimental platform was established to acquire ultrasonic data. In the forward problem, an artificial neural network (ANN) model was used to forecast the response and time-of-flight (TOF) based on the excitation, and argon and air concentrations. The inverse problem was solved using a convolutional neural network (CNN) to predict the argon and air concentrations given the ultrasonic response and excitation. The results showed that the ANN accurately predicted the ultrasonic response and the change in TOF with concentration. As the air concentration was increased from 0 to 9.8%, the TOF sensitivity to detect argon decreased by 39.8% and 16.1% from ANN and sound speed theory, respectively. The CNN demonstrated high accuracy in predicting concentrations for inputs in the testing dataset. The application of the trained CNN indicated that it over-predicts air concentration while under-predicting the argon concentration. To improve accuracy, the predicted air and argon concentrations should be corrected by -0.992% and 1.027% bias, respectively.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Kinetic neoclassical calculations of impurity radiation profiles

Modifications of the drift-kinetic transport code XGC0 to include the transport, ionization, and recombination of individual charge states, as well as the associated radiation, are described. The code is first applied to a simulation of an NSTX H-mode discharge with carbon impurity to demonstrate the approach to coronal equilibrium. The effects of neoclassical phenomena on the radiated power profile are examined sequentially through the activation of individual physics modules in the code. Orbit squeezing and the neoclassical inward pinch result in increased radiation for temperatures above a few hundred eV and changes to the ratios of charge state emissions at a given electron temperature. As a result, analogous simulations with a neon impurity yield qualitatively similar results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Comparison of response of superconductivity to impurity concentration in UBe 13 and LuBe 13

Uhlirova et al. reported superconductivity in LuBe 13 and assigned it tentatively to be BCS-type, with specific heat measurements down to 0.45 K showing the partial onset of a bulk transition. In order to check LuBe13 for unconventional behavior, as well as to further characterize the unconventional superconductivity in UBe 13 , we have prepared and characterized down to 0.40 K three arc-melted samples each of MBe 13 , M = Lu, U, using three different purities (99.999%, 99.96%, and 99.8%) of Be but with the same high purity M (Lu or U) for all three. The measurements down to 0.40 K allow the detection of the maximum in the specific heat in all three LuBe 13 samples. The resulting superconducting properties strongly depend on impurity level in UBe 13 (40% decrease in ΔC/T c , 15% decrease in T c mid ) while the three LuBe 13 samples exhibit significantly smaller changes (10% and 5% respectively) with purity. The comparison of properties at the first two levels of purity (99.999% vs 99.96%) is even more disparate: 12% decrease in T c mid in UBe 13 vs no change in LuBe 13 . Furthermore, these results are consistent with previous results that argue for unconventional superconductivity in UBe 13 and are consistent with Uhlirova et al.‘s assignment of LuBe 13 as a conventional, BCS superconductor. More generally, this example of comparing superconducting properties vs-controlled gradations in impurity levels with two compositionally and structurally “matched” superconducting compounds (one conventional and one of to-be-determined coupling behavior) offers a new method for determining unconventional behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Structure-toxicity relationship of cefoperazone and its impurities to developing zebrafish by transcriptome and Raman analysis

Cefoperazone (CFP) is a potent antibacterial agent that is widely used for the treatment of bacterial infections. Previously, we found that both the C-7 and C-3 substituents of CFP are toxic functional groups, and two groups could affect gene expression in zebrafish embryos, thereby resulting in variable abnormal phenotypes. (6R, 7S)-cefoperazone (7S-CFP) is the 7-epimer of CFP and 1-methyl-1H-tetrazole-5-thiol (MTT) is the C-3 substituent of CFP. Both molecules are impurities isolated from CFP that can induce adverse effects. Transcriptome analysis was performed in the present study to identify differentially expressed genes (DEGs), coupled with Raman mapping of individual organ regions to detect changes in the biochemical composition of zebrafish embryos, which reflect the differences in distribution of the compounds. CFP, 7S–CFP, and MTT exposure altered the expression of 254, 368, and 1153 genes, respectively. Gene ontology analysis revealed that various processes related to development, growth, and morphology of tissues were significantly enriched with DEGs. We integrated seven co-DEGs with protein-protein interaction networks and identified various developmental processes that were regulated by the three compounds, including vasodilation, eye, brain, melanogenesis, and heart looping. Our findings suggested that Calca and Ptger4a may be potentially utilized as novel biomarkers for CFP, which causes bleeding. Raman analysis indicated that CFP, 7S-CFP, and MTT exhibited abnormal maps in tissues, which coincided with changes in their expression and morphological features. This study may provide bioinformatics and spectral information that may be used in further investigations on the relationship between structure and toxicity of drugs and impurities. - Highlights: • We studied the relationship between the structure and toxicity of cefoperazone. • Transcriptome strategy was performed to identify differentially expressed genes. • We integrated seven co-DEGs with protein-protein interaction networks. • Our results founded the novel biomarkers for cefoperazone, which causes bleeding. • Raman analysis indicated that three compounds exhibited abnormal maps in tissues.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Catalytic Removal of Oxygen Impurities from Pressurized Oxy-Combustion Flue Gas for the Production of High-Purity Carbon Dioxide

Flue gas purification is important for pressurized oxy-combustion systems to produce pure carbon dioxide (CO 2 ) streams ready for storage or utilization. A catalytic approach to removing oxygen (O 2 ) impurities from pressurized oxy-combustion flue gas via reduction with methane (CH 4 ) was investigated in this work. Two types of catalysts were studied: palladium (Pd)-based catalysts supported on titania (TiO 2 ) prepared by incipient wetness impregnation and cobalt–manganese (CoMn) composite catalysts prepared by coprecipitation. The performance of the catalysts was evaluated in a high-pressure–high-temperature, fixed-bed reactor at a pressure of 15 bar and a gas hourly space velocity of 30 000 h –1 (standard conditions), with a simulated feeding gas composed of 3 vol % O 2 , 1.5 vol % CH 4 , and CO 2 as the balance gas. Among the Pd catalysts, 5% Pd/TiO 2 achieved the maximum 86% O 2 removal at ≥350 °C. The CoMn oxide catalysts displayed comparable or better activities for O 2 reduction compared with the Pd catalysts. Among them, the Co 40 Mn 1 catalyst exhibited the best performance, able to reduce 99.9% of O 2 impurities at ~370 °C with negligible carbon monoxide (CO) formation (<10 ppmv). Both trivalent and divalent Co and Mn were detected on the catalyst surface, and the superior activity of Co 40 Mn 1 might be associated with the resultant disordered structure. Furthermore, the activity of the catalyst was not affected by the presence of a trace amount of nitric oxide (NO) gas contaminant. Results of this study provide the basis for scale-up studies in both the synthesis and performance of non-noble metal catalysts.

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

Effect of Impurities on the Redox Properties of Goethite

Iron oxide minerals regulate the flux of electrons in the environment and are important hosts for trace and minor, yet critical, elements. Here, we present the first evidence of a direct link between the local coordination environments of Ni and Zn and the redox properties of their host phase goethite (α-FeOOH), the most abundant Fe(III) (oxyhydr)oxide at Earth’s surface. Here, we used aqueous redox measurements to show that the redox potential E H 0 , and hence the mineral’s stability, follows the order: pure goethite ≥ Zn-goethite > Ni-goethite. Parallel X-ray absorption and scattering measurements demonstrate, using quantum-informed analysis, that the local coordination environment of the smaller impurity, Ni, causes more bulk strain energy than Zn, which nearly accounts for the difference in E H 0 between Ni- and Zn-goethite. Our theory-informed, experimental study reveals how two common impurities affect the stability of goethite with implications for the biogeochemical reactivity of Fe(III) (oxyhydr)oxide in mediating elemental and electron fluxes in the environment.

42 ENGINEERING↗
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 OSTI2014

Development of a particle injection system for impurity transport study in KSTAR

A solid particle injection system is developed for KSTAR. The system has a compact size, compatibility with a strong magnetic field and high vacuum environment, and the capability to inject a small amount of solid particles with a narrow injection angle. The target flight-distance of 10 cm has been achieved with a particle loss rate of less than 10%. Solid impurity particles such as tungsten and carbon will be injected by this system at the midplane in KSTAR. The impurity transport feature will be studied with a soft X-ray array, a vacuum ultra-violet diagnostic, and Stand Alone Non-Corona code.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗