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At least 1,135 records · Page 63

Improved profile fitting and quantification of uncertainty in experimental measurements of impurity transport coefficients using Gaussian process regression

The need to fit smooth temperature and density profiles to discrete observations is ubiquitous in plasma physics, yet the prevailing techniques for this have many shortcomings that cast doubt on the statistical validity of the results. This issue is amplified in the context of validation of gyrokinetic transport models (Holland et al 2009 Phys. Plasmas 16 052301), where the strong sensitivity of the code outputs to input gradients means that inadequacies in the profile fitting technique can easily lead to an incorrect assessment of the degree of agreement with experimental measurements. In order to rectify the shortcomings of standard approaches to profile fitting, we have applied Gaussian process regression (GPR), a powerful non-parametric regression technique, to analyse an Alcator C-Mod L-mode discharge used for past gyrokinetic validation work (Howard et al 2012 Nucl. Fusion 52 063002). We demonstrate that the GPR techniques can reproduce the previous results while delivering more statistically rigorous fits and uncertainty estimates for both the value and the gradient of plasma profiles with an improved level of automation. Moreover, we discuss how the use of GPR can allow for dramatic increases in the rate of convergence of uncertainty propagation for any code that takes experimental profiles as inputs. The new GPR techniques for profile fitting and uncertainty propagation are quite useful and general, and we describe the steps to implementation in detail in this paper. These techniques have the potential to substantially improve the quality of uncertainty estimates on profile fits and the rate of convergence of uncertainty propagation, making them of great interest for wider use in fusion experiments and modelling efforts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Lattice dynamics of 119 Sn impurity in a bcc-Cr crystal

The chromium crystal doped with 119 Sn isotope was studied using the nuclear resonance inelastic x-ray scattering and first principles calculations. The Sn partial phonon density of states (PDOS) was obtained for three temperatures that correspond to different magnetic states of Cr. At all temperatures, the energy spectrum consists of a broad band around 18 meV and a narrow peak at 43 meV. The additional peak around 39 meV is observed only in the magnetically ordered phases, indicating the influence of magnetic order in chromium on lattice dynamics. The partial PDOS calculated with the antiferromagnetic order on Cr atoms show a very good agreement with the experimental data. It is revealed that the high-energy peak is lying above the phonon spectra of the pure bcc-Cr crystal. These are the local modes with the increased energies due to a strongly reduced distance between Sn and the nearest-neighbor Cr atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The effect of metastable atomic levels in neutral tungsten for erosion and impurity transport applications

Long-lived metastable states in neutral tungsten are shown to potentially impact measurements of tungsten erosion from plasma facing components. Time-dependent collisional radiative modeling of neutral tungsten is used to analyze the role of these states in tungsten emission and ionization. The large number of non-quasistatic atomic states in neutral tungsten can take on the order of milliseconds to reach equilibrium, depending on plasma conditions, causing erosion measurements to be affected by the metastable populations. Previous measurements using the 400.88 nm tungsten emission line could be affected by these non-quasistatic metastable effects. Therefore, a scheme for measuring the relative metastable fractions is proposed through simultaneous observation of multiple ultraviolet spectral lines of neutral W. The accuracy of gross erosion measurements could potentially be increased by inclusion of these previously unconsidered metastable effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dilute magnetic impurity-induced effective phonon magnetic moment in Fe-doped monolayer MoS 2

Realization of large effective phonon magnetic moment in monolayer MoS 2 has established an important route for exploring intriguing magnetic phenomena in a nonmagnetic material. The sizable coupling between the orbital transition and the circularly polarized phonon results in the large effective phonon magnetic moment. In this work, using magneto-Raman spectroscopy, we investigate substitutional doping of magnetic atoms as a tuning knob of the electronic and phononic properties of MoS 2 . We show that Fe-doping polarizes the spin of the conduction bands and introduces a localized Fe band underneath the conduction band. As a result, an additional orbital transition between the Mo 4d and Fe 3d states emerges, producing an orbital-phonon hybridized mode at 283 cm −1 . Our magnetic field dependent measurements demonstrate that this new mode carries 2.8 $\mu_{\mathrm{B}}$ effective phonon magnetic moment, which is comparable to that of the undoped MoS 2 . Moreover, even though a long-range magnetic order is absent in Fe-doped MoS 2 , the local magnetic moment of Fe modifies the nature of the spin fluctuation, producing monotonically increasing quasielastic scattering spectral weight as temperature decreases. Our results highlight two-dimensional dilute magnetic semiconductors synthesized by substitutional doping as a promising material platform to manipulate the phonon magnetic moment through orbital-phonon coupling.

36 MATERIALS SCIENCE↗

Hybrid-Functional Calculations of the Copper Impurity in Silicon

We calculate formation energies and transition levels for copper-related defects in silicon using the screened hybrid functional of Heyd, Scuseria, and Ernzerhof HSE06. We consider Cu siting on interstitial sites ( Cu i ), a substitutional site ( Cu Si ), a Cu Si - Cu i pair, a complex formed from substitutional Cu and interstitial hydrogen ( Cu Si - H i ), and a complex formed from a substitutional Cu and three interstitial Cu atoms ( Cu Si - 3 Cu i ). We find that Cu i is a fast diffuser, with a migration barrier of only 0.19 eV, in good agreement with experimental values. Cu i is a shallow donor and its formation energy is lower than that of Cu Si for all Fermi-level positions in the band gap. Cu Si , on the other hand, induces levels in the gap which are related to the occupation of antibonding states originating from the coupling between the Cu 3 d states ( t 2 ( d ) ), resonant in the valence band, and the vacancy-induced gap states ( t 2 ( p ) ). The stable charge states of Cu Si in the gap are + 1 , 0, - 1 , and - 2 . The transition levels of Cu Si - Cu i and Cu Si - H i are closely related to the levels of isolated Cu Si : a donor level ( + / 0 ) near the valence band, an acceptor level near midgap, and a double-acceptor level in the upper part of the gap. Overall, the calculated transition levels are in good agreement with experimental results, and the formation energies explain the observed solubility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗