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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
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 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 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)↗
DOE OSTI2021

Determination of Seven Organic Impurities in FD&C Yellow No. 6 by Ultra-High-Performance Liquid Chromatography

The U.S. Food and Drug Administration (FDA) batch certifies FD&C Yellow No. 6 (Y6) to ensure that the color additive meets requirements published in the Code of Federal Regulations (CFR), including specifications for seven organic manufacturing impurities consisting of two intermediates, a reaction by-product, an impurity originating from an intermediate, and three subsidiary colors. An ultra-high-performance liquid chromatography (UHPLC) method was developed and validated for determining seven organic impurities in Y6. For comparison, the currently used high-performance liquid chromatography (HPLC) method was also validated. The new UHPLC method uses a 1.7 µm particle size biphenyl column with aqueous ammonium formate and methanol as eluants. Analytes are identified by comparing their retention times and UV-visible spectra to those of reference standards. Calibration is performed in the presence of the dye matrix and analyte levels are determined from their peak areas. UHPLC and HPLC validation studies obtained linear calibration curves and excellent values for limits of detection, limits of quantitation, recovery, repeatability, and intermediate precision for all analytes. Survey analyses of 30 samples using the UHPLC and HPLC methods yielded results that were consistent within experimental error; however, the UHPLC method provided more accurate results for two analytes that coelute using the HPLC method. The UHPLC method satisfies the accuracy and precision requisites for routine certification of Y6. The UHPLC method is faster and generates less waste than the HPLC method while delivering better sensitivity, separation, and accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Impurity-Induced Anomalous Thermal Hall Effect in Chiral Superconductors

Chiral superconductors exhibit novel transport properties that rely on the topology of the order parameter, topology of the Fermi surface, the spectrum of bulk and edge Fermionic excitations, and the structure of the impurity potential. In the case of electronic heat transport, impurities induce an anomalous (zero-field) thermal Hall conductivity that is easily orders of magnitude larger than the quantized edge contribution. The effect originates from branch-conversion scattering of Bogoliubov quasiparticles by the chiral order parameter, induced by potential scattering. The former transfers angular momentum between the condensate and the excitations that transport heat. The anomalous thermal Hall conductivity is shown to depend to the structure of the electron-impurity potential, as well as the winding number ν of the chiral order parameter $Δ(p)=|Δ(p)|e^{iν\phi_p}$. The results provide quantitative formulas for interpreting heat transport experiments seeking to identify broken T and P symmetries, as well as the topology of the order parameter for chiral superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

First-principles ionized-impurity scattering and charge transport in doped materials

Scattering of carriers with ionized impurities governs charge transport in doped semiconductors. However, electron interactions with ionized impurities cannot be fully described with quantitative first-principles calculations, so their understanding relies primarily on simplified models. Here we show an ab initio approach to compute the interactions between electrons and ionized impurities or other charged defects. It includes the short- and long-range electron-defect (e-d) interactions on equal footing and allows for efficient interpolation of the e-d matrix elements. Here we combine the e-d and electron-phonon interactions in the Boltzmann transport equation to compute the carrier mobilities in doped silicon over a wide range of temperature and doping concentrations, seamlessly spanning the defect- and phonon-limited transport regimes. The individual contributions of the defect- and phonon-scattering mechanisms to the carrier relaxation times and mean-free paths are analyzed. Our method provides a powerful tool to study electronic interactions in doped materials. It broadens the scope of first-principles transport calculations, enabling studies of a wide range of doped semiconductors and oxides with application to electronics, energy, and quantum technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dynamic, symmetry-preserving, and hardware-adaptable circuits for quantum computing many-body states and correlators of the Anderson impurity model

We present a hardware-reconfigurable ansatz on N q -qubits for the variational preparation of many-body states of the Anderson impurity model (AIM) with N imp + N bath = N q /2 sites, which conserves total charge and spin z component within each variational search subspace. The many-body ground state of the AIM is determined as the minimum over all minima of O(N$^2_ q$) distinct charge-spin sectors. Hamiltonian expectation values are shown to require ω(N q ) < N meas. $\leqslant$ O(N imp N bath ) symmetry-preserving, parallelizable measurement circuits, each amenable to postselection. To obtain the one-particle impurity Green’s function we show how initial Krylov vectors can be computed via midcircuit measurement and how Lanczos iterations can be computed using the symmetry-preserving ansatz. For a single-impurity Anderson model with a number of bath sites increasing from one to seven, we show using numerical emulation that the ease of variational ground-state preparation is suggestive of linear scaling in circuit depth and subquartic scaling in optimizer complexity. We therefore expect that, combined with time-dependent methods for Green’s function computation, our ansatz provides a useful tool to account for electronic correlations on early fault-tolerant processors. Finally, with a view towards computing real materials properties of interest like magnetic susceptibilities and electron-hole propagators, we provide a straightforward method to compute many-body, time-dependent correlation functions using a combination of time evolution, midcircuit measurement-conditioned operations, and the Hadamard test.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Two-channel multi-impurity Kondo model: RKKY-induced criticality

We show that the Ruderman-Kittel-Kasua-Yoisida interaction between overscreened spins in two-channel Kondo impurity systems is a relevant perturbation when the number of impurities N is greater than 3 driving the system to a new quantum critical point with anomalous dimensions $\frac{1}{(𝑁+1)}$ for the spin operator and the Sommerfeld coefficient of the specific heat scales as 𝛾 ∼ 𝑇 −$\frac{3}{𝑁+1}$ . The critical point universal properties are relevant to many strong correlation problems, such as impurity placed in a Majorana metal and the multichannel Kondo lattice model of heavy fermion materials. In conclusion, we discuss relevance of our results for cluster DMFT studies of quantum criticality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Electronic and optical properties of transition metal impurities in GaN and AlN

The optical properties of Cr(III) impurities are well studied and exploited in 𝛼−Al 2 ⁢O 3 , which enables ruby lasers. Photoluminescence spectra resembling the famous 1.78 eV emission of Cr in 𝛼−Al 2 ⁢O 3 have been observed in other wide-band-gap host materials, in particular AlN. However, it is unclear whether Cr would produce the same emission in the nitrides as in 𝛼−Al 2 ⁢O 3 , especially given the different local environment (tetrahedral vs octahedral coordination). We investigate the electronic and optical properties of transition metal substitutional impurities (Cr, Co, Ni, and Cu) in wurtzite GaN and AlN from first principles, utilizing hybrid density functional theory. We calculate the optical transition energies using a constrained occupation approach that accounts for the multideterminant nature of the excited states. Our results indicate that substitutional Cr(III) is not responsible for the emission near 1.78 eV observed in the nitrides. Among the examined impurities, only substitutional Co(II) produces emission near 1.78 eV. Based on the favorable properties of Co(II) (low formation energy, small Huang-Rhys factor, and an 𝑆 = 3/2 ground state) we propose it as a promising single-photon emitter or spin qubit. We additionally assign the PL peak observed near 1.05 eV in GaN and AlN to the 2 𝐸→ 4 𝐴 2 transition of the Ni(III) substitution.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of Impurities on the Compatibility of Steels in Supercritical CO 2 at 450°–650°C

Direct-fired supercritical CO 2 (sCO 2 ) power cycles are a pathway to low-CO 2 fossil energy but contain O 2 and H 2 O in the sCO 2 from combustion. The effect of impurities on structural steels was investigated at 450°-650 °C in 30 MPa sCO 2 . The test matrix included 9 and 12%Cr ferritic-martensitic (FM) steels and conventional and advanced austenitic steels exposed for 1000-2000 h with and without additions of 1%O 2 and 0.1%H 2 O to simulate the cycle after water removal. For FM steels, the mass gains and scale thicknesses were similar with and without impurities with the formation of thick, duplex Fe-rich scales in all cases including the observation that Fe 2 O 3 only formed with 1%O 2 . For the austenitic steels, higher mass gains were observed at all temperatures with increased formation of Fe-rich oxides when impurities were added. Carbon ingress was assessed by bulk combustion analysis, glow discharge optical emission spectroscopy (GDOES) and measuring postexposure room temperature tensile properties. In conclusion, bulk C content was strongly increased at 650 °C but not at 450° or 550 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Impurity lattice Monte Carlo for hypernuclei

Abstract We consider the problem of including $$\varLambda $$ Λ hyperons into the ab initio framework of nuclear lattice effective field theory. In order to avoid large sign oscillations in Monte Carlo simulations, we make use of the fact that the number of hyperons is typically small compared to the number of nucleons in the hypernuclei of interest. This allows us to use the impurity lattice Monte Carlo method, where the minority species of fermions in the full nuclear Hamiltonian is integrated out and treated as a worldline in Euclidean projection time. The majority fermions (nucleons) are treated as explicit degrees of freedom, with their mutual interactions described by auxiliary fields. This is the first application of the impurity lattice Monte Carlo method to systems where the majority particles are interacting. Here, we show how the impurity Monte Carlo method can be applied to compute the binding energies of the light hypernuclei. In this exploratory work we use spin-independent nucleon–nucleon and hyperon–nucleon interactions to test the computational power of the method. We find that the computational effort scales approximately linearly in the number of nucleons. The results are very promising for future studies of larger hypernuclear systems using chiral effective field theory and realistic hyperon–nucleon interactions, as well as applications to other quantum many-body systems.

Frame, Dillon↗
DOE OSTI2021

Cold Testing for Characterization of Oxide Feed Impurities in Support of the ARIES Program

The Advanced Recovery and Integrated Extraction System (ARIES) Program converts surplus plutonium metal components into an oxide powder form and packages the material for final disposition. In support of the ARIES program, over a metric ton (MT) of plutonium has been removed from surplus nuclear weapons since 1998 and packaged for long-term storage in 3013 cans. The oxide production rate is anticipated to increase substantially over the next decade in support of dilute and dispose goals. Analytical chemistry data from destructive analysis of the resulting 70+ blend lots to date has been reported for contaminants in the product oxide. Changes in the Pu product specification for Pu oxide product, induced by a different pit mix, the LANL swap program and processing Alternate (non-Pit Pu) Feed Stock (AFS) metals, will affect the level and the mix of these contaminants in the upcoming years. With these changes in feed material, it will be important to provide fast and efficient measurement of elemental impurities in the oxide to be certain that the process is under control and to monitor the anticipated changes from the historical blend lot data. Non-destructive methods need to be evaluated for the characterization of the plutonium oxide product and the quantification of the impurities at the current and anticipated levels. A feasibility study has begun to investigate the applicability of new spectroscopic methods for oxide impurity characterization. To this end, here we describe the preparation of surrogate materials to support these investigations, and the results of a feasibility study investigating the use of LIBS (Laser Induced Breakdown Spectroscopy) to characterize the surrogate materials as calibration standards.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

(U) The Effects of Impurities on Detonator Bridge Performance

The primary route for impurities to impact bridge performance is through an increase in resistivity leading to premature bridge burst resulting in both decreased burst time and burst current. Changes in burst time could increase timing error while a decrease in burst current could reduce the firing margin. The most consistent results may be achieved by the minimization of impurities. However, since complete elimination is not practical, a practical production specification approach is presented. Further, since specification limits should be based on performance, a practical approach to estimate and simulate the effects of impurities is also provided using the existing Davis Bridge Burst Model.

42 ENGINEERING↗
NASA NTRS1973

The influence of defects and impurities on the nucleation and growth of oriented films by evaporation

The influence of substrate imperfections on the nucleation and growth of fcc metals on alkali halides is discussed. Films deposited on well characterized substrated under well defined vacuum evaporation conditions are investigated. The experimental results of this work are correlated with similar work by other investigators. Models which have been proposed by various authors to explain experimental results are critically examined and areas of difficulty are pointed out. The influence of defects on nucleation rate and the orientation of the film is emphasized. Specific examples of impurity effects, irradiation effects and the influence of amorphous layers are discussed in detail. Evidence is shown that the formation of multiply twinned particles is a result of coalescence and growth. The only consistent model for the orienting influence of impurities is shown to be a chemical reaction effect. It is demonstrated that an alkali metal impurity is very likely responsible for the orienting influence of both water vapor exposure and irradiation. A negative result is found for the reported possibility of an orienting influence being transmitted through an amorphous layer.

Green, A. K.↗
NASA NTRS1973

Trace organic impurities in gaseous helium

A program to determine trace organic impurities present in helium has been initiated. The impurities were concentrated in a cryogenic trap to permit detection and identification by a gas chromatographic-mass spectrometric technique. Gaseous helium (GHe) exhibited 63 GC flame ionization response peaks. Relative GC peak heights and identifications of 25 major impurities by their mass spectra are given. As an aid to further investigation, identities are proposed for 16 other components, and their mass spectra are given.

Schehl, T. A.↗