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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Growth or Decay – I: universality of the turbulent dynamo saturation

The turbulent small-scale dynamo (SSD) is likely to be responsible for the magnetisation of the interstellar medium (ISM) that we observe in the Universe today. The SSD efficiently converts kinetic energy E kin into magnetic energy E mag , and is often used to explain how an initially weak magnetic field with E mag $\ll$ E kin is amplified, and then maintained at a level E mag ≲ E kin . Usually, this process is studied by initialising a weak seed magnetic field and letting the turbulence grow it to saturation. However, in this Part I of the Growth or Decay series, using three-dimensional, visco-resistive magnetohydrodynamical turbulence simulations up to magnetic Reynolds numbers of 2000, here we show that the same final state in the integral quantities, energy spectra, and characteristic scales of the magnetic field can also be achieved if initially E mag ~ E kin or even if initially E mag $\gg$ E kin . This suggests that the final saturated state of the turbulent dynamo is set by the turbulence and the material properties of the plasma, independent of the initial structure or amplitude of the magnetic field. We discuss the implications this has for the maintenance of magnetic fields in turbulent plasmas and future studies exploring the dynamo saturation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Scaling relations in the phase-space structure of dark matter haloes

We present new scaling relations for the isotropic phase-space distribution functions (DFs) and energy distributions of simulated dark matter haloes. These relations are inspired by those for the singular isothermal sphere with density profile $\rho (r)\propto r^{-2}$, for which the DF satisfies $f(E) \propto r_{\mathrm{max}}^{-2}(E)$ and the energy distribution satisfies $\mathrm{ d}M/\mathrm{ d}E \propto r_{\mathrm{max}}(E)$, with $r_{\mathrm{max}}(E)$ being the radius where the gravitational potential equals energy $E$. For the simulated haloes, we find $f(E)\propto r_{\mathrm{max}}^{-2.08}(E)$ and $\mathrm{ d}M/\mathrm{ d}E \propto r_{\mathrm{max}}(E)$ across broad energy ranges. In addition, the proportionality coefficients depend on the gravitational constant and the parameters of the best-fitting Navarro–Frenk–White density profile. These scaling relations are satisfied by haloes over a wide mass range and provide an efficient method to approximate their DFs and energy distributions. Understanding the origin of these relations may shed more light on halo formation.

galaxies: haloes↗
DOE OSTI2022

Heavy-ion fusion cross section formula and barrier height distribution

Methods for obtaining fusion cross section formulas are discussed, especially for those that take on an empirical form. A new expression starting with σ( E) = $\frac{1}{E}$ $\int ^{E}_{E_0}$ $(\int^{E'}_{E_0} B (E^\shortparallel) dE^\shortparallel)dE'$ has been explored. Here, B(E) is a reasonable, assumed function of the barrier height distribution, $\frac{d^2 (\sigma E)}{dE^2}$. Further, the resulting analytic cross section formula reproduces very well the excitation functions for many light and heavy fusion systems across wide energy ranges, when B(E) is assumed to be a multi-Gaussian function. This study offers an improved determination of the fusion barrier height distribution over other numerical techniques.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Fast neutrino flavor conversion modes in multidimensional core-collapse supernova models: The role of the asymmetric neutrino distributions

A dense neutrino gas, such as the one anticipated in the supernova environment, can experience fast neutrino flavor conversions on scales much shorter than those expected in vacuum probably provided that the angular distributions of ν e and $\bar{v}_e$ cross each other. We perform a detailed investigation of the neutrino angular distributions obtained by solving the Boltzmann equations for fixed matter profiles of some representative snapshots during the postbounce phase of core-collapse supernovae in multidimensional calculations of a 11.2 M ⊙ and a 27 M ⊙ progenitor model. Although the 11.2 M ⊙ model features ν e - $\bar{v}_e$ angular crossings and the associated fast modes at different time snapshots, the 27 M ⊙ model does not show any crossings within the decoupling region. We show that this can be understood by studying the multipole components of the neutrino distributions. In fact, there is a higher chance for the occurrence of ν e - $\bar{v}_e$ angular crossings for the zones where the multipole components of the neutrino distributions are strong enough. We also show that there can exist more than one crossing between the angular distributions of ν e and $\bar{v}_e$. In addition, apart from the crossings within the neutrino decoupling region, there is a class of ν e - $\bar{v}_e$ angular crossings that appears very deep inside the protoneutron star.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Comment on “Nonideal Fields Solve the Injection Problem in Relativistic Reconnection”

Sironi (hereafter S22) reported the correlation between high-energy particles and their crossings of regions with electric field larger than magnetic field (E > B regions) in kinetic simulations of relativistic magnetic reconnection. They claim that E > B regions (for vanishing guide fields) accelerate particles to the injection energy γ inj ~ σ (magnetization). S22 shows that if test particles are reset to low energies in E > B regions, injection is suppressed. Here, we reexamine these claims using a simulation resembling the reference case in S22 with no guide field. We show that E > B regions contribute very little to injection (~ 10% γ inj ) as they only host particles for a short duration. The energization before any E > B crossings has a comparable contribution, indicating E > B regions are not unique for pre-acceleration. A new test-particle simulation that zeroes out E during E > B does not strongly influence injection. We suggest that the procedure to exclude E > B acceleration in S22 partly removes acceleration outside E > B, leading to a false conclusion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Theoretical Analysis of Critical Conditions for Crack Formation and Propagation, and Optimal Operation of SOECs

A theoretical analysis on crack formation and propagation was performed based on the coupling between the electrochemical process, classical elasticity, and fracture mechanics. The chemical potential of oxygen, thus oxygen partial pressure, at the oxygen electrode-electrolyte interface ( μ O 2 OE∣El ) was investigated as a function of transport properties, electrolyte thickness and operating conditions (e.g., steam concentration, constant current, and constant voltage). Our analysis shows that: a lower ionic area specific resistance (ASR), r i O E , and a higher electronic ASR ( r e O E ) of the oxygen electrode/electrolyte interface are in favor of suppressing crack formation. The μ O 2 O E ∣ E l , thus local pO 2 , are sensitive towards the operating parameters under galvanostatic or potentiostatic electrolysis. Constant current density electrolysis provides better robustness, especially at a high current density with a high steam content. While constant voltage electrolysis leads to greater variations of μ O 2 O E ∣ E l . Constant current electrolysis, however, is not suitable for an unstable oxygen electrode because μ O 2 O E ∣ E l can reach a very high value with a gradually increased r i O E . A crack may only occur under certain conditions when p O 2 T P B > p c r .

42 ENGINEERING↗
DOE OSTI2025

Conducting Beyond the Standard Model Searches in the MicroBooNE Detector with Machine Learning

MicroBooNE is one of the three neutrino detectors that comprise the Short Baseline Neutrino program at Fermilab. It utilizes Liquid Argon Time Projection Chamber (LArTPC) technology to probe the anomalous excess of electron-like events seen by its predecessor, MiniBooNE. Additionally, it provides a rich avenue of study for Beyond the Standard Model (BSM) theories. In the GeV energy regime relevant to MicroBooNE's beam neutrino program, many such theories lead to signatures which produce electron-positron (e+e-) final-states in the detector. While photons can pair produce into e+e- pairs with negligible opening angles, BSM theories often predict e+e- pairs with a broader range of opening angles. Thus, developing a tool that can reliably measure the opening angles of e+e- events is crucial for conducting rigorous BSM studies. However, these e+e- pairs result in topologically complex showers instead of clean tracks, making non-machine learning (ML) based methods such as line-fitting unsuitable for this task. This poster discusses the effectiveness of ML, namely a graph neural network called PointNet++, in accomplishing this goal. Our studies show promising results, with a resolution for the opening angle of 5 or less.

Bhelande, Vedang Adutya [Los Alamos]↗
DOE OSTI2023

Variability in soil redox response to seasonal flooding in a vernal pond

Vernal ponds are ephemeral landscape features that experience intermittent flooding and drying, leading to variable saturation in underlying soils. Redox potential (E h ) is an important indicator of biogeochemical processes that changes in response to these hydrological shifts; however, high-resolution measurements of E h in variably inundated environments remain sparse. In this study, the responses of soil E h to ponding, drying, and rewetting of a vernal pond were investigated over a 5-month period from late spring through early autumn. Soil E h was measured at 10-min frequencies and at multiple soil depths (2–48 cm below the soil surface) in shallow and deep sections within the seasonally ponded lowland and in unsaturated soils of the surrounding upland. Over the study period, average E h in surface soils (0–8 cm) was oxidizing in the upland (753 ± 79 mV) but relatively reducing in the shallow lowland (369 ± 49 mV) and deep lowland (198 ± 37 mV). Reducing conditions (E h <300 mV) in surface soils prevailed for up to 6 days in the shallow lowland and up to 24 days in the deep lowland after surface water dried out. Intermittent reflooding resulted in multiple shifts between reducing and oxidizing conditions in the shallow lowland while the deep lowland remained reducing following reflooding. Soil E h in the uplands was consistently oxidizing over the study period with transient increases in response to rain events. Reducing conditions in the lowland resulted in greater Fe-oxide dissolution and release of dissolved Fe and P into porewater than in the surrounding uplands. We determined that change in water depth alone was not a good indicator of soil E h , and additional factors such as soil saturation and clay composition should be considered when predicting how E h responds to surface flooding and drying. These findings highlight the spatial and temporal variability of E h within ponds and have implications for how soil processes and ecosystem function are impacted by shifts in hydrology at terrestrial-aquatic interfaces.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Charged Lepton Flavor Violating Experiments with Muons

We report on the status of charged lepton flavor violating (CLFV) experiments with muons. We focus on the three "golden channels": $\mu^{+} \rightarrow e^{+} \gamma$, $\mu^{+} \rightarrow e^{+} e^{-} e^{+}$ and $\mu^{-} N \rightarrow e^{-} N$. The collection of upcoming experiments aim for sensitivity improvements up to $10^{4}$ with respect to previous searches. The MEG II experiment, searching for $\mu^{+} \rightarrow e^{+} \gamma$, is currently in its 4th year of physics data-taking with a published result from its first year of data. The Mu3e experiment is an upcoming experiment searching for $\mu^{+} \rightarrow e^{+} e^{-} e^{+}$ with plans of physics data-taking as soon as 2025. The Mu2e and COMET experiments are upcoming searches for $\mu^{-} N \rightarrow e^{-} N$ with the goal of physics data-taking starting in 2027 and 2026 respectively. This proceeding summarizes the signal signature, expected background, resolutions, and timelines for the mentioned searches.

Palo, Dylan [Fermilab]↗
DOE OSTI2020

Update to the Performance Assessment for the Savannah River Site Saltstone Disposal Facility - 20124

In 2019, Savannah River Remediation developed a revision to the performance assessment (PA) on behalf of the U.S. Department of Energy (DOE) Savannah River Operations Office (SR) for the near-surface disposal of low-level waste at the Savannah River Site (SRS) Saltstone Disposal Facility (SDF). Soluble waste from SRS Tank Farms undergoes salt processing to remove cesium and other high activity constituents. The low-activity decontaminated salt solution (DSS) is then immobilized by mixing it into a cementitious waste form known as saltstone. After mixing, the saltstone is poured into leak-tight concrete vaults, known as saltstone disposal units (SDUs), where the waste form cures. By the time of facility closure, the SDF is expected to consist of 15 SDUs with a combined capacity of 1.06 E+09 L (280 Mgal) of cured saltstone. The facility operates under a Disposal Authorization Statement (DAS) from DOE and a permit from the South Carolina Department of Health and Environmental Control (SCDHEC). Since the start of operations in 1990, the SDF has received almost 6.7 E+07 L (18 Mgal) of DSS, resulting in the safe disposal of 2.7 E+16 Bq (7.3 E+05 Ci) of activity. Due to the radioactive decay of short-lived contaminants, the total remaining activity in the disposed waste is estimated to be approximately 1.4 E+16 Bq (3.9 E+05 Ci), as of September 2018. The Disposal Authorization Statement requires a demonstration that the system of engineered and natural features of the disposal facility will limit releases from the facility and be protective of human health and the environment for at least the next 1,000 years. The long-term performance of the facility was evaluated under the requirements of the DoE's Radioactive Waste Management Manual (US DOE Manual 435.1-1). Simulations were performed to demonstrate that the disposal facility would meet performance objectives specified in the manual. The evaluation was based on numerical models that simulate the releases of contaminants from the saltstone waste form. Contaminants were transported through groundwater and air pathways to points of assessment to evaluate compliance. In addition, the potential consequences of an inadvertent human intrusion (IHI) were also evaluated. In accordance with the guidance and recommendations in US DoE's technical standard for DAS, deterministic and probabilistic analyses were performed to demonstrate the SDF system, which includes the engineered cover system, the SDUs, the waste form, and the natural features of the site, provides a reasonable expectation that saltstone disposal will meet performance objectives. Post-closure doses to future members of the public (MOP) were evaluated; dose estimates from the air pathway were well below the 1.0 E-04 Sv/yr (10 mrem/yr) performance objective within 1,000 years, and the calculated doses to the MOP from all exposure pathways, including the groundwater and air pathways, were well below the 2.5 E-04 Sv/yr (25 mrem/yr) performance objective within 1,000 years. Doses following an assumed intrusion event within the facility boundaries were well below the IHI performance objectives, where the acute IHI dose was below the acute IHI dose performance objective of 5.0 E-03 Sv (500 mrem) and the chronic IHI dose was below the chronic IHI dose performance objective of 1.0 E-03 Sv/yr (100 mrem/yr) within 1,000 years. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Measurement of the Neutron Electromagnetic Form Factor Ratio at High Momentum Transfer

The inner structure of the nucleon (proton and neutron) remains a topic of great interest in nuclear and particle physics, after many decades of study. For example, understanding the quark-gluon dynamics inside the nucleon would shed light on how 99% of the nucleon mass is created. The neutron electromagnetic form factors, Gn E and Gn M , give important insights into the neutron structure. The Super BigBite Spectrometer (SBS) program at Jefferson Lab (JLab) seeks to extend the form factor measurements for both the proton and the neutron. The neutron electric form actor, Gn E , has been historically difficult to measure due to the short lifetime of the free neutron and the small value of Gn E . The GEn-II experiment is part of the SBS program and seeks to measure Gn E , significantly increasing the high momentum transfer coverage. A newly designed polarized 3He target increased the figure of merit by three times compared to previous measurements. The analysis of this data is especially challenging due to the unprecedented high-rate environment caused by the open nature of the spectrometer with a direct line of sight to the target. This required developing new Gas Electron Multiplier (GEM) particle trackers which can cover large areas demanded by this setup and handle particle rates up to 500 kHz/cm2. Rates this high over a large area is unprecedented in particle tracking systems and came with a number of challenges. Data taken in the SBS program was critical to understanding hardware and software solutions that improved the track reconstruction efficiency to be >97% with a position resolution of 70 ?m. In previous experiments the proton electromagnetic form factors, Gp E and Gp M were measured up to Q2 = 8.5 GeV2 and Q2 = 30 GeV2, respectively, while Gn E has only been measured up to Q2 = 3.4 GeV2. The GEn-II experiment has measured the neutron form factor ratio, Gn E/Gn M, at Q2 values of 2.90, 6.50, and 9.47 GeV2 by scattering a polarized electron beam with a polarized 3He target, used here as an effective polarized neutron target, and measuring the double spin asymmetry of the cross section. Previous Gn E measurements do not extend above Q2 = 3.4 GeV2, and therefore this analysis has extended the world data by almost three times. The background correction is especially difficult at the higher Q2 settings leading to large systematic errors. As very exploratory results from this early analysis of the data, we find for Q2 = 2.90 GeV2, Gn E = 0.0157 ±stat 0.0016 ±sys 0.0011, for Q2 = 6.50 GeV2, Gn E = 0.0067 ±stat 0.0019 ±sys 0.0005, and for Q2 = 9.46 GeV2, Gn E = 0.0046 ±stat 0.0023 ±sys 0.0005. These results are compared to predictions from the Dyson-Schwinger Equations (DSE) model and a Relativistic Constituent Quark Model (RCQM).

Jeffas, Sean↗
DOE OSTI2023

Studies of the decay $$ {\textrm{D}}_{\textrm{s}}^{+}\to {\textrm{K}}^{+}{\textrm{K}}^{-}{\mu}^{+}{\nu}_{\mu } $$

Abstract The$$ {D}_s^{+}\to {K}^{+}{K}^{-}{\mu}^{+}{\nu}_{\mu } $$ D s + → K + K − μ + ν μ decay is studied based on 7.33 fb −1 ofe + e − collision data collected with the BESIII detector at center-of-mass energies in the range from 4.128 to 4.226 GeV. The absolute branching fraction is measured as$$ \mathcal{B}\left({D}_s^{+}\to \phi {\mu}^{+}{\nu}_{\mu}\right)=\left(2.25\pm 0.09\pm 0.07\right)\times {10}^{-2} $$ B D s + → ϕ μ + ν μ = 2.25 ± 0.09 ± 0.07 × 10 − 2 , the most precise measurement to date. Combining with the world average of$$ \mathcal{B}\left({D}_s^{+}\to \phi {e}^{+}{\nu}_e\right) $$ B D s + → ϕ e + ν e , the ratio of the branching fractions obtained is$$ \frac{\mathcal{B}\left({D}_s^{+}\to \phi {\mu}^{+}{\nu}_{\mu}\right)}{\mathcal{B}\left({D}_s^{+}\to \phi {e}^{+}{\nu}_e\right)}=0.94\pm 0.08 $$ B D s + → ϕ μ + ν μ B D s + → ϕ e + ν e = 0.94 ± 0.08 , in agreement with lepton universality. By performing a partial wave analysis, the hadronic form factor ratios atq 2 = 0 are extracted, finding$$ {r}_V=\frac{V(0)}{A_1(0)}=1.58\pm 0.17\pm 0.02 $$ r V = V 0 A 1 0 = 1.58 ± 0.17 ± 0.02 and$$ {r}_2=\frac{A_2(0)}{A_1(0)}=0.71\pm 0.14\pm 0.02 $$ r 2 = A 2 0 A 1 0 = 0.71 ± 0.14 ± 0.02 , where the first uncertainties are statistical and the second are systematic. No significantS-wave contribution fromf 0 (980)→ K + K − is found. The upper limit$$ \mathcal{B}\left({D}_s^{+}\to {f}_0(980){\mu}^{+}{\nu}_{\mu}\right)\cdot \mathcal{B}\left({f}_0(980)\to {K}^{+}{K}^{-}\right)<5.45\times {10}^{-4} $$ B D s + → f 0 980 μ + ν μ ⋅ B f 0 980 → K + K − < 5.45 × 10 − 4 is set at 90% credibility level.

Physics↗
DOE OSTI2026

Modeling and analysis of synthetic liquid fuel production from CO 2 and nuclear energy using methanol-to-diesel process

Electrofuels (e-fuels) are synthetic fuels produced from carbon dioxide (CO 2 ) and electricity for blending with or replacing petroleum fuels. Nuclear energy is an attractive energy feedstock for e-fuel production because of its low environmental footprint and its ability to provide steady heat and power essential for e-fuels production. We modeled and evaluated the cost and environmental footprint of e-fuels production in the distillate range for three nuclear power scales, 100, 500, and 1000 MWe, through methanol and olefins intermediates leveraging commercial or high technology readiness level (TRL) processes. Compared to the commonly studied e-fuels from Fischer Tropsch process that has a distillate yield of <70% with the rest being low value naphtha, the proposed process via methanol intermediate increases the product selectivity with distillate yield of 96% and only 4% naphtha. The modeled process has a carbon conversion ratio of 98%, and a process energy efficiency of 56% relative to the total equivalent nuclear electricity input. The e-fuel plant economics and GHG emissions were estimated by considering CO 2 collected from ethanol plants adjacent to nuclear power plants. The estimated minimum fuel selling prices (MFSP) of e-fuel is in the range of $5.7-$9.1/gal depending on e-fuel plant scale, electricity cost, and CO 2 transportation distance. The corresponding e-fuels life cycle GHG emissions is estimated in the range of 5-6 gCO 2 e/MJ of liquid fuel using the R&D Greenhouse gases, Regulated Emissions, and Energy use in Technologies (R&D GREET) model.

10 SYNTHETIC FUELS↗
DOE OSTI2024

Emergence of Long-Range Angular Correlations in Low-Multiplicity Proton-Proton Collisions

This Letter presents the measurement of near-side associated per-trigger yields, denoted ridge yields, from the analysis of angular correlations of charged hadrons in proton-proton collisions at s = 13 TeV . Long-range ridge yields are extracted for pairs of charged particles with a pseudorapidity difference of 1.4 < | Δ η | < 1.8 and a transverse momentum of 1 < p T < 2 GeV / c , as a function of the charged-particle multiplicity measured at midrapidity. This Letter extends the measurements of the ridge yield to the low multiplicity region, where in hadronic collisions it is typically conjectured that a strongly interacting medium is unlikely to be formed. The precision of the new low multiplicity results allows for the first direct quantitative comparison with the results obtained in e + e − collisions at s = 91 GeV and s = 183 – 209 GeV , where initial-state effects such as preequilibrium dynamics and collision geometry are not expected to play a role. In the multiplicity range 8 ≲ ⟨ N ch ⟩ ≲ 24 where the e + e − results have good precision, the measured ridge yields in p p collisions are substantially larger than the limits set in e + e − annihilations. Consequently, the findings presented in this Letter suggest that the processes involved in e + e − annihilations do not contribute significantly to the emergence of long-range correlations in p p collisions. © 2024 CERN, for the ALICE Collaboration 2024 CERN

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Modeling ExB drift transport in conceptual slot divertor configurations

At DIII-D, a slot divertor concept, called small-angle-slot (SAS), is under development, aiming to enable detachment at relatively low plasma edge density. We report on simulations using the SOLPS-ITER two-dimensional edge code to examine the performance of conceptual “SAS 2” slot configurations. The focus of the analysis is on E × B drift effects on upstream density at detachment (UDD), with detachment marked by electron temperature T e ≤ 3 eV at the outer strike point (OSP). With toroidal field such that radial E × B drift carries particles from the OSP towards the private flux region (PFR), placing the OSP near the inner slot wall gives ≈20% lower UDD than having the OSP near the outer wall. The inner wall effectively traps the radial E × B drift flux, resulting in low T e and associated radial electric field in the PFR, and thus small losses from the slot to the inner target via poloidal E × B drift flux. With toroidal field reversed such that radial E × B drift is reversed, OSP placement near the inner wall gives ≈10% lower UDD than OSP placement near the outer wall. Although radial E × B flux is from the OSP towards the outer wall, this flux largely escapes the slot, raising the UDD. Finally, a change in the slot shaping is suggested with the goal of eliminating such E × B-driven particle losses from the slot.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Dynamics of self-hybridized exciton–polaritons in 2D halide perovskites

Abstract Excitons, bound electron–hole pairs, in two-dimensional hybrid organic inorganic perovskites (2D HOIPs) are capable of forming hybrid light-matter states known as exciton-polaritons (E–Ps) when the excitonic medium is confined in an optical cavity. In the case of 2D HOIPs, they can self-hybridize into E–Ps at specific thicknesses of the HOIP crystals that form a resonant optical cavity with the excitons. However, the fundamental properties of these self-hybridized E–Ps in 2D HOIPs, including their role in ultrafast energy and/or charge transfer at interfaces, remain unclear. Here, we demonstrate that >0.5 µm thick 2D HOIP crystals on Au substrates are capable of supporting multiple-orders of self-hybridized E–P modes. These E–Ps have high Q factors (>100) and modulate the optical dispersion for the crystal to enhance sub-gap absorption and emission. Through varying excitation energy and ultrafast measurements, we also confirm energy transfer from higher energy E–Ps to lower energy E–Ps. Finally, we also demonstrate that E–Ps are capable of charge transport and transfer at interfaces. Our findings provide new insights into charge and energy transfer in E–Ps opening new opportunities towards their manipulation for polaritonic devices.

42 ENGINEERING↗
DOE OSTI2023

Low-temperature trapping of N 2 reduction reaction intermediates in nitrogenase MoFe protein–CdS quantum dot complexes

The biological reduction of N 2 to ammonia requires the ATP-dependent, sequential delivery of electrons from the Fe protein to the MoFe protein of nitrogenase. It has been demonstrated that CdS nanocrystals can replace the Fe protein to deliver photoexcited electrons to the MoFe protein. Herein, light-activated electron delivery within the CdS:MoFe protein complex was achieved in the frozen state, revealing that all the electron paramagnetic resonance (EPR) active E-state intermediates in the catalytic cycle can be trapped and characterized by EPR spectroscopy. Prior to illumination, the CdS:MoFe protein complex EPR spectrum was composed of a S = 3/2 rhombic signal (g = 4.33, 3.63, and 2.01) consistent with the FeMo-cofactor in the resting state, E 0 . Illumination for sequential 1-h periods at 233 K under 1 atm of N 2 led to a cumulative attenuation of E 0 by 75%. This coincided with the appearance of S = 3/2 and S = 1/2 signals assigned to two-electron (E 2 ) and four-electron (E 4 ) reduced states of the FeMo-cofactor, together with additional S = 1/2 signals consistent with the formation of E 6 and E 8 states. Simulations of EPR spectra allowed quantification of the different E-state populations, along with mapping of these populations onto the Lowe–Thorneley kinetic scheme. The outcome of this work demonstrates that the photochemical delivery of electrons to the MoFe protein can be used to populate all of the EPR active E-state intermediates of the nitrogenase MoFe protein cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Density wavenumber spectrum measurements, synthetic diagnostic development, and tests of quasilinear turbulence modeling in the core of electron-heated DIII-D H-mode plasmas

Abstract Measurements of the turbulent density wavenumber spectrum, δ n ˆ e ( k ⊥ ) , using the Doppler Back-Scattering (DBS) diagnostic are reported from DIII-D H-mode plasmas with electron cyclotron heating as the only auxiliary heating method. These electron-heated plasmas have low collisionality, ν e ∗ < 1 , T e / T i > 1 , and zero injected torque—a regime expected to be relevant for future fusion devices. We probe density fluctuations in the core ( ρ ≈ 0.7) over a broad wavenumber range, 0.5 ⩽ k ⊥ ⩽ 16 cm −1 ( 0.1 ⩽ k ⊥ ρ s ⩽ 5 ), to characterize plasma instabilities and compare with theoretical predictions. We present a novel synthetic DBS diagnostic to relate the back-scattered power spectrum, P s ( k ⊥ ) —which is directly measured by DBS—to the underlying electron density fluctuation spectrum, δ n ˆ e ( k ⊥ ) . The synthetic DBS P s ( k ⊥ ) spectrum is calculated by combining the SCOTTY beam-tracing code with a model δ n ˆ e ( k ⊥ ) predicted either analytically or numerically. In this work we use the quasi-linear code Trapped Gyro-Landau Fluid (TGLF) to approximate the δ n ˆ e ( k ⊥ ) spectrum. We find that TGLF, using the experimental profiles, is capable of closely reproducing the DBS measurements. Both the DBS measurements and the TGLF-DBS synthetic diagnostic show a wavenumber spectrum with variable decay. The measurements show weak decay ( k −0.6 ) for k < 3.5 cm −1 , with k −2.6 at intermediate- k ( 3.5 ⩽ k ⩽ 8.5 cm −1 ), and rapid decay ( k −9.4 ) for k > 8.5 cm −1 . Scans of physics parameters using TGLF suggest that the normalized ∇ T e scale-length, R / L T e , is an important factor for distinguishing microturbulence regimes in these plasmas. A combination of DBS observations and TGLF simulations indicate that fluctuations remain peaked at ITG-scales (low k ) while R / L T e -driven TEM/ETG-type modes (intermediate/high k ) are marginally sub-dominant.

synthetic diagnostics↗