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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Estimation of the time for steam generator trip due to cyber intrusions

The time required to trip a pressurized water reactor (PWR) by inserting malicious signals into its steam generator (SG) control system has been studied using the Generic PWR (GPWR) Simulator. A semi-analytical model is developed to approximately reproduce the simulator response and understand the dynamics of the control unit. A series of two proportional-integral controllers determines control action according to preset constants, the readings from the feedwater level sensor, and those from feedwater and steam flowrate transmitters. It is observed that the most important factor that determines whether a trip will occur is how much additional water is added to or withheld from the SG over time compared to normal operating conditions. In order to determine the effects of control action on the SG, changes in mass inventory are considered. This approach models the SG water level as a function of mass inventory and has a backward temporal memory. A Python interface is developed for the GPWR framework to automatically simulate different spoofing scenarios and post-process the related data. We observe that the trip times predominantly depend on flow mismatch and/or level errors. Controller parameters, including the integral time and gain constants, either speed up or slow down the rate of progression to a trip setpoint but do not cause a trip by themselves. The reactor can trip on a high-level signal when the reading crosses above 78%, increased from its reference level of 57%, or a low-level reading when it is below 25%. The present results show roughly how long the operators would have to respond to an attack, given a specific set of spoofing signals within the issue space analyzed. Furthermore, we have generated a simple surface by fitting a combination of exponential functions to the data obtained from the GPWR Simulator. In general, trips on a low level have been observed to occur faster than those on a high level.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Modifying the resolving cysteine affects the structure and hydrogen peroxide reactivity of peroxiredoxin 2

Peroxiredoxin 2 (Prdx2) is a thiol peroxidase with an active site Cys (C52) that reacts rapidly with H 2 O 2 and other peroxides. The sulfenic acid product condenses with the resolving Cys (C172) to form a disulfide which is recycled by thioredoxin or GSH via mixed disulfide intermediates or undergoes hyperoxidation to the sulfinic acid. C172 lies near the C terminus, outside the active site. It is not established whether structural changes in this region, such as mixed disulfide formation, affect H 2 O 2 reactivity. To investigate, we designed mutants to cause minimal (C172S) or substantial (C172D and C172W) structural disruption. Stopped flow kinetics and mass spectrometry showed that mutation to Ser had minimal effect on rates of oxidation and hyperoxidation, whereas Asp and Trp decreased both by 100-fold. To relate to structural changes, we solved the crystal structures of reduced WT and C172S Prdx2. The WT structure is highly similar to that of the published hyperoxidized form. C172S is closely related but more flexible and as demonstrated by size exclusion chromatography and analytical ultracentrifugation, a weaker decamer. Size exclusion chromatography and analytical ultracentrifugation showed that the C172D and C172W mutants are also weaker decamers than WT, and small-angle X-ray scattering analysis indicated greater flexibility with partially unstructured regions consistent with C-terminal unfolding. We propose that these structural changes around C172 negatively impact the active site geometry to decrease reactivity with H 2 O 2 . This is relevant for Prdx turnover as intermediate mixed disulfides with C172 would also be disruptive and could potentially react with peroxides before resolution is complete.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Relativistic spin precession in homogeneous background fields

The Bargmann-Michel-Telegdi equation, which describes the precession of the spin of a charged Dirac particle moving in a homogeneous electromagnetic field, is generalized to include also other homogeneous background fields. The treatment incorporates observable coefficients that govern operators of mass dimensions three through six in the underlying Dirac effective field theory. A relativistic formulation valid in arbitrary inertial frames is obtained. The results are applicable to searches for new physics beyond the Standard Model, including searches for Lorentz and CPT violation.

Ding, Yunhua [Ohio Wesleyan Univ., Delaware, OH (U↗
DOE OSTI2020

Investigation of Mass Transfer and Sorption in CO 2 /Brine/Rock Systems via In Situ FT-IR

CO 2 geological storage in deep saline formations is considered a promising method to mitigate anthropogenic CO 2 emissions and, thereby, minimize changes to the Earth’s atmosphere. A fundamental understanding of CO 2 mass transfer and sorption phenomena in brine-saturated reservoir formations is necessary to understand the long-term fate of injected CO 2 as it is subjected to different (physical, dissolution, and mineral) trapping mechanisms. In this work, we investigate CO 2 sorption in brine-saturated and dry Mt. Simon sandstone samples via in-situ Fourier Transform infrared spectroscopy (FT-IR) at elevated pressures, ranging from 0.3 MPa to 8.3 MPa, at a temperature of 50 ⁰C. The FT-IR spectra of bulk-phase CO 2 were simultaneously recorded under the same conditions. For bulk-phase CO 2 , we observed, in agreement with past studies, a doublet peak at 2361 cm -1 and 2336 cm -1 and another peak (ν 2 bending mode) at 667 cm -1 . With increasing pressure, the position of the peak at 667 cm -1 remains invariant, however, when crossing into the supercritical region the doublet peak degenerates onto a single peak at 2336 cm -1 with a barely visible shoulder at 2361 cm -1 . The bulk CO 2 data provide a perfect fit for Beer’s law for the whole range of pressure conditions. For the dry sample, the IR spectrum is experimentally indistinguishable from the bulk CO 2 spectrum, signifying that if physical adsorption occurs to any significant extent, the adsorbed CO 2 molecules are not substantially more rotationally constrained than the dense bulk CO 2 molecules. For the brine-saturated sample, we observe a strong band centered at 2342 cm -1 and a small companion peak at 2360-2361 cm -1 that degenerates into a barely visible shoulder peak at the higher pressures. The 2342 cm -1 band has been previously observed by other investigators for CO 2 dissolved in bulk water/brine as well during its adsorption on a variety of other wet natural porous media. We observe no peaks corresponding to bicarbonate or carbonate bulk species, which correlates well with the prior literature on similar low-pH aqueous solutions. The integrated peak area for the CO 2 sorbed in the brine-saturated sample correlates linearly with its solubility in the same bulk brine, as measured separately via a PVT-cell approach. Here, this validates the accuracy of both techniques, and the potential of the FT-IR method to be used in the study of mass transfer and adsorption in such systems. To that effect, a simple mathematical model is presented to analyze the FT-IR data to determine the CO 2 effective diffusivity in the brine-saturated sandstone sample.

58 GEOSCIENCES↗
DOE OSTI2020

Colloidal Quantum Dot Photovoltaics: Current Progress and Path to Gigawatt Scale Enabled by Smart Manufacturing

Colloidal quantum dots (QDs) have lately been pursued with intense vigor for optoelectronic applications such as photovoltaics (PV), flexible electronics, displays, mid-infrared photodetectors, lasers, and single-photon emitters. These nanometer-sized semiconducting crystals can be suitably mass-produced and size-tuned via cost-effective solution-based synthetic routes to operate in the quantum size confinement regime, endowing them with a wide array of exotic optical and electronic properties. While the first potential market entry could be in displays and in niche applications such as “internet-of-things”, ultimately, the technology has the potential to influence large-scale terrestrial power generation, because it is amenable to high-throughput synthesis from Earth-abundant materials and large-area solution-based coating techniques and can be air-stable. In this Review, we chronicle the recent advances that have propelled QD PV toward commercialization and highlight potential areas for further progress. We present an account of the material compositions being explored as QDs and their various benefits, major chemical passivation and doping strategies that have been developed to allay QD surface traps, and advanced device designs deployed to maximize charge extraction. We also discuss pathways to >20% efficient QD PV and describe recent advances in high-precision and autonomous synthesis of such materials. With recent demonstrations of scalable synthesis of high-quality QDs, smart manufacturing of QDs and QD solids, and fabrication of stable solar cells under ambient conditions, we suggest that the technology is on the road to achieving maturity and technological relevance and that gigawatt per year distributed panel production sites may be within reach.

14 SOLAR ENERGY↗
DOE OSTI2026

Pulsed Electrolysis Promotes Catalyst Activity in Dilute CO 2 Streams

Industrial CO 2 streams vary widely in composition, from pure to as low as 3%, posing challenges for purification or direct conversion. Electrochemical reduction offers a route for converting dilute CO 2 streams but faces severe mass transport limitations. This study demonstrates that pulsed electrolysis effectively overcomes these limitations, enhancing CO 2 electroreduction across variable feed compositions and current densities, particularly at low CO 2 concentrations and high current densities. At 25% CO 2 and 400 mA cm −2 , pulsing improved selectivity from 25.6 to 78.6%, production rate from 13.7 to 21.0 mol m −2 h −1 , and energy productivity from 0.77 to 2.59 mol kWh −1 . A dynamic, multiphysics continuum model confirms a 64% increase in CO 2 concentration within the catalyst layer during pulsing, resolving the transient chemical microenvironment. These findings establish pulsed electrolysis as a viable strategy for converting dilute industrial CO 2 streams into valuable feedstocks, bypassing costly pre-separation.

Orfali, Dania Muhieddine [New York University (NYU↗
DOE OSTI2025

Characterizing Greater Houston's Aerosol by Air Mass During TRACER

During the TRacking Aerosol and Convection interaction ExpeRiment (TRACER), a suite of aerosol and cloud measurements were made using the Texas A&M Rapid Onsite Atmospheric Measurement Van (ROAM-V) mobile instrument platform. Joint ROAM-V/radiosonde deployments focused on sampling polluted marine and continental air masses to understand summertime convection along and across the sea-breeze front as it propagated through Houston. The polluted marine air mass at Seawolf Park, Galveston, TX was defined by two characteristic aerosol populations. Although the background total particle concentrations averaged 2,500 cm −3 , the air mass was also influenced by frequent but irregular periods of ship emission with significantly higher aerosol concentrations at times exceeding 34,000 cm −3 . Ship emission influenced periods, typically lasting <10 min, contained smaller, less hygroscopic particles resulting in a 69% relative decline in cloud condensation nuclei (CCN) activated fraction at 1% supersaturation compared to background periods. Measurements in continental air masses northwest of Houston revealed an average aerosol concentration of 5,208 cm −3 with a κ value near 0.1 reasonably describing the CCN population, independent of particle size. In continental air masses, substantial differences in particle size and CCN activation over small distances (<42 miles between sites) suggest considerable site-to-site variability in addition to the expected day-to-day differences. This small-scale variability makes it difficult to generalize continental air mass aerosol properties. Both coastal and inland locations had effective ice nucleating particles, but inland deployments observed the warmest nucleation temperature at −15.6°C compared to −17.8°C close to the coast. These measurements can reduce uncertainties in regional convection allowing models to improve understanding of aerosol-cloud interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Air separation via two-step solar thermochemical cycles based on SrFeO 3-δ and (Ba,La) 0.15 Sr 0.85 FeO 3-δ perovskite reduction/oxidation reactions to produce N 2 : rate limiting mechanism(s) determination

Two-step solar thermochemical cycles based on reversible reactions of SrFeO 3–δ and (Ba,La) 0.15 Sr 0.85 FeO 3–δ perovskites were considered for air separation. The cycle steps encompass (1) the thermal reduction of SrFeO 3–δ or (Ba,La) 0.15 Sr 0.85 FeO 3–δ perovskites driven by concentrated solar irradiation and (2) oxidation in air to remove O 2 and produce N 2 . Rate limiting mechanisms were examined for both reactions using a combination of isothermal and non-isothermal thermogravimetry for temperature-swings between 673 and 1373 K, heating rates of 10, 20, and 50 K min –1 , and O 2 pressure-swings between 20% O 2 /Ar and 100% Ar at atmospheric pressure. Evolved O 2 and associated lag due to transport behavior were measured with gas chromatography and used with measured sample temperatures to predict equilibrium compositions from a compound energy formalism thermodynamic model. Measured and predicted chemical equilibrium changes in deviation from stoichiometry were compared. Rapid chemical kinetics were observed as the samples equilibrated rapidly for all conditions, indicative that heat and mass transfer were the rate limiting mechanisms. Furthermore, the effects of bulk diffusion (or gas diffusion through the bed or pellet) were examined using pelletized and loose powdered samples and determined to have no discernable impact.

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

Maximizing sunlight absorption in narrow bandgap semiconducting copper(I) iodides for enhanced photocatalytic dye degradation

Photocatalytic dye degradation leverages sunlight to break down dyes and pigments into safer, simpler molecules. Using a material that can absorb a broad range of the solar spectrum optimizes the speed and efficiency of this process. In this study, we explore a series of new, narrow bandgap copper iodide semiconductors (1.5–1.7 eV) with various dimensionalities (0D to 3D) to evaluate their photocatalytic efficiency in dye degradation. The most effective material achieved 95% degradation within just 27 minutes. Mass spectrometry provided a detailed insight and in-depth understanding into the degradation mechanism. All materials demonstrated excellent stability under ambient conditions, highlighting their promise as eco-friendly candidates for dye degradation in water purification.

Carignan, Gia M. [Rutgers Univ., Piscataway, NJ (U↗
DOE OSTI2022

The MeerKAT Galaxy Cluster Legacy Survey I. Survey Overview and Highlights

MeerKAT’s large number (64) of 13.5 m diameter antennas, spanning 8 km with a densely packed 1 km core, create a powerful instrument for wide-area surveys, with high sensitivity over a wide range of angular scales. The MeerKAT Galaxy Cluster Legacy Survey (MGCLS) is a programme of long-track MeerKAT L-band (900–1670 MHz) observations of 115 galaxy clusters, observed for ~6–10 h each in full polarisation. The first legacy product data release (DR1), made available with this paper, includes the MeerKAT visibilities, basic image cubes at ~8" resolution, and enhanced spectral and polarisation image cubes at ~8" and 15" resolutions. Typical sensitivities for the full-resolution MGCLS image products range from ~3–5 μJy beam –1 . The basic cubes are full-field and span 2° × 2°. The enhanced products consist of the inner 1.2° × 1.2° field of view, corrected for the primary beam. The survey is fully sensitive to structures up to ~10' scales, and the wide bandwidth allows spectral and Faraday rotation mapping. Relatively narrow frequency channels (209 kHz) are also used to provide H I mapping in windows of 0 < z < 0.09 and 0.19 < z < 0.48. Here, in this paper, we provide an overview of the survey and the DR1 products, including caveats for usage. We present some initial results from the survey, both for their intrinsic scientific value and to highlight the capabilities for further exploration with these data. These include a primary-beam-corrected compact source catalogue of ~626 000 sources for the full survey and an optical and infrared cross-matched catalogue for compact sources in the primary-beam-corrected areas of Abell 209 and Abell S295. We examine dust unbiased star-formation rates as a function of cluster-centric radius in Abell 209, extending out to 3.5 R 200 . We find no dependence of the star-formation rate on distance from the cluster centre, and we observe a small excess of the radio-to-100 μm flux ratio towards the centre of Abell 209 that may reflect a ram pressure enhancement in the denser environment. We detect diffuse cluster radio emission in 62 of the surveyed systems and present a catalogue of the 99 diffuse cluster emission structures, of which 56 are new. These include mini-halos, halos, relics, and other diffuse structures for which no suitable characterisation currently exists. We highlight some of the radio galaxies that challenge current paradigms, such as trident-shaped structures, jets that remain well collimated far beyond their bending radius, and filamentary features linked to radio galaxies that likely illuminate magnetic flux tubes in the intracluster medium. We also present early results from the H I analysis of four clusters, which show a wide variety of H I mass distributions that reflect both sensitivity and intrinsic cluster effects, and the serendipitous discovery of a group in the foreground of Abell 3365.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Predictive modeling of NSTX discharges with the updated multi-mode anomalous transport module

Abstract The objective of this study is twofold: firstly, to demonstrate the consistency between the anomalous transport results produced by updated Multi-Mode Model (MMM) version 9.0.4 and those obtained through gyrokinetic simulations; and secondly, to showcase MMM’s ability to predict electron and ion temperature profiles in low aspect ratio, high beta NSTX discharges. MMM encompasses a range of transport mechanisms driven by electron and ion temperature gradients, trapped electrons, kinetic ballooning, peeling, microtearing, and drift resistive inertial ballooning modes. These modes within MMM are being verified through corresponding gyrokinetic results. The modes that potentially contribute to ion thermal transport are stable in MMM, aligning with both experimental data and findings from linear CGYRO simulations. The isotope effects on these modes are also studied and higher mass is found to be stabilizing, consistent with the experimental trend. The electron thermal power across the flux surface is computed within MMM and compared to experimental measurements and nonlinear CGYRO simulation results. Specifically, the electron temperature gradient modes (ETGM) within MMM account for 2.0 MW of thermal power, consistent with experimental findings. It is noteworthy that the ETGM model requires approximately 5.0 ms of computation time on a standard desktop, while nonlinear CGYRO simulations necessitate 8.0 h on 8 K cores. MMM proves to be highly computationally efficient, a crucial attribute for various applications, including real-time control, tokamak scenario optimization, and uncertainty quantification of experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Annual sea level variations in the Red Sea observed using GNSS

SUMMARY Annual sea level variations in the Red Sea have amplitudes of 15–20 cm as observed using various techniques such as tide gauges, satellite altimetry and recently Gravity Recovery and Climate Experiment (GRACE) satellite data. In this study, we demonstrate that Global Navigation Satellite System (GNSS) observations can also be used to measure the effect of these sea level variations. The extra water mass presses on the seafloor, which causes horizontal and vertical deformations. Using time-series from 10 coastal GNSS stations, we observe annual horizontal and vertical loading displacements with amplitudes of 2–5 mm. When correcting for atmospheric, hydrological and surface water loading and a residual geocentre motion, significant annual signals of approximately 0.5 and 2 mm are still observed for the horizontal and vertical components, respectively. In the northern Red Sea, the observed annual signals and predicted annual sea level loading show good agreement. This confirms that the signal is mostly a result of the variations in water mass and thermal expansion. Furthermore, we conclude that the uncertainties in the hydrological model over Ethiopia and Eritrea influence the loading over the southern Red Sea, which was underestimated in previous studies using GRACE data.

Alothman, A. O.↗
DOE OSTI2020

Joint analysis of 6dFGS and SDSS peculiar velocities for the growth rate of cosmic structure and tests of gravity

ABSTRACT Measurement of peculiar velocities by combining redshifts and distance indicators is a powerful way to measure the growth rate of a cosmic structure and test theories of gravity at low redshift. Here we constrain the growth rate of the structure by comparing observed Fundamental Plane peculiar velocities for 15 894 galaxies from the 6dF Galaxy Survey (6dFGS) and Sloan Digital Sky Survey (SDSS) with predicted velocities and densities from the 2M++ redshift survey. We measure the velocity scale parameter $\beta \equiv {\Omega _{\rm m}^\gamma }/b = 0.372^{+0.034}_{-0.050}$ and $0.314^{+0.031}_{-0.047}$ for 6dFGS and SDSS, respectively, where Ωm is the mass density parameter, γ is the growth index, and b is the bias parameter normalized to the characteristic luminosity of galaxies, L*. Combining 6dFGS and SDSS, we obtain β = 0.341 ± 0.024, implying that the amplitude of the product of the growth rate and the mass fluctuation amplitude is fσ8 = 0.338 ± 0.027 at an effective redshift z = 0.035. Adopting Ωm = 0.315 ± 0.007, as favoured by Planck and using γ = 6/11 for General Relativity and γ = 11/16 for DGP gravity, we get $S_8(z=0) = \sigma _8 \sqrt{\Omega _{\rm m}/0.3} =0.637 \pm 0.054$ and 0.741 ± 0.062 for GR and DGP, respectively. This measurement agrees with other low-redshift probes of large-scale structure but deviates by more than 3σ from the latest Planck CMB measurement. Our results favour values of the growth index γ > 6/11 or a Hubble constant H0 > 70 km s−1 Mpc−1 or a fluctuation amplitude σ8 < 0.8 or some combination of these. Imminent redshift surveys such as Taipan, DESI, WALLABY, and SKA1-MID will help to resolve this tension by measuring the growth rate of cosmic structure to 1 per cent in the redshift range 0 < z < 1.

Said, Khaled↗
DOE OSTI2023

Tree-based solvers for adaptive mesh refinement code FLASH – III: a novel scheme for radiation pressure on dust and gas and radiative transfer from diffuse sources

Radiation is an important contributor to the energetics of the interstellar medium, yet its transport is difficult to solve numerically. We present a novel approach towards solving radiative transfer of diffuse sources via backwards ray tracing. Here, we focus on the radiative transfer of infrared radiation and the radiation pressure on dust. The new module, TREERAY/RADPRESSURE, is an extension to the novel radiative transfer method TREERAY implemented in the grid-based Magneto-Hydrodynamics code FLASH. In TREERAY/RADPRESSURE, every cell and every star particle is a source of infrared radiation. We also describe how gas, dust, and radiation are coupled via a chemical network. This allows us to compute the local dust temperature in thermal equilibrium, leading to a significantly improvement over the classical grey approximation. In several tests, we demonstrate that the scheme produces the correct radiative intensities as well as the correct momentum input by radiation pressure. Subsequently, we apply our new scheme to model massive star formation from a collapsing, turbulent core of 150 M ⊙ . We include the effects of both, ionizing and infrared radiation on the dynamics of the core. We find that the newborn massive star prevents fragmentation in its proximity due to radiative heating. Over time, dust and radiation temperature equalize, while the gas temperature can be either warmer due to shock heating or colder due to insufficient dust–gas coupling. Compared to gravity, the effects of radiation pressure are insignificant for the stellar mass on the simulated time-scale in this work.

(ISM:) HII regions↗
DOE OSTI2026

Energy shift of Fe-K fluorescence lines due to low ionization demonstrated with XRISM in Centaurus X-3

The Fe K$\alpha$ fluorescence line at 6.4 keV is a powerful probe of cold matter surrounding X-ray sources and has been widely used in various astrophysical contexts. The X-ray microcalorimeter spectrometer onboard XRISM can measure line shifts with unprecedented precision of ${\sim }$0.2 eV, equivalent to a line-of-sight velocity of ${\sim }$10 km s$^{-1}$. At this level of accuracy, however, several factors that influence the line energy must be carefully considered prior to astrophysical interpretation. One such important factor is the ionization degree, Fe$^{q+}$. The K$\alpha$ line shifts redward by ${\sim }$4 eV as q increases from 0 (neutral) to 8 (Ar-like). Additionally, the accompanying Fe K$\beta$ line at 7.06 keV shifts blueward by ${\sim }$30 eV from $q=0$ to 8. We demonstrate that this effect is actually observable in the XRISM data of the high-mass X-ray binary Centaurus X-3 (Cen X-3). We advocate that the differential energy shift between the K$\alpha$ and K$\beta$ line provides a robust estimate of q by decoupling from other effects that shift the two lines in the same direction. We derived $q \sim 5$ (Sc-like) for the fluorescing matter by comparing the observation with atomic structure calculations of our own and in the literature. By accounting for the derived charge state and the corresponding shift in the rest-frame line energy, we made corrections for this effect and reached a consistent residual shift among the K$\alpha$, K$\beta$, and the optical measurement attributable to the systemic velocity of the system. Consequently, we obtained a new constraint on the location of the cold matter. This ionization effect needs to be assessed in all use cases of the Fe K$\alpha$ line shift beyond Cen X-3, and the proposed metric is generally applicable to all of them.

Astronomy and AstroPhysics↗
DOE OSTI2025

Factorization and resummation of QED radiative corrections for neutron beta decay

Details of the two-loop analysis of long-distance QED radiative corrections to neutron beta decay are presented. Explicit expressions are given for hard, jet, and soft functions appearing in the factorization formula that describes the limit of small electron mass and large electron energy. Numerical enhancements from the infrared region are resummed using renormalization group methods. Power corrections, cancellation of singularities in the small-mass expansion, renormalization scheme dependence, and bound-state effects are also discussed. These results provide the most precise determination of long-distance radiative corrections to neutron beta decay and impact the determination of |𝑉 𝑢⁢𝑑 | from the measured neutron lifetime and thus set a target for uncertainty reductions in the experimental and short-distance inputs.

Beta decay↗
DOE OSTI2025

Lithium's low-temperature phase transitions: Insights into quantum lattice dynamics and superconductivity

The large lattice dynamics of lithium, driven by its low atomic mass, results in energetically similar structures and significant isotope effects under pressure, posing challenges to current theoretical models. Above 20 GPa and at low temperatures, lithium's electronic properties deviate from simple metallic behavior, with superconductivity emerging in a complex, pressure-dependent manner, alongside an unusual isotope effect. The structural phases of 7 Li reported under these conditions are inconsistent across studies, and the structures of 6 Li remain unexamined. These gaps limit our understanding of the effects of pressure on lithium's electronic properties and the role of quantum lattice effects on its structural behavior under pressure. Here, we integrate experimental and theoretical approaches to investigate the low-temperature structural phase boundaries in lithium isotopes. We map the structural phase diagram of 7 Li from 5 to 55 GPa and 15–75 K, identifying the sequence fcc → ℎ⁡R⁢1 → cI16. A pronounced isotope effect is observed, with 6 Li shifting the fcc → ℎ⁡R⁢1 phase boundary to lower pressures at 15 K. Density functional theory calculations further clarify how these structural changes affect superconducting properties, particularly emphasizing the role of the fcc → ℎ⁡R⁢1 transition in lithium's superconductivity. Furthermore, our findings offer insights into the unique behavior of lithium isotopes under pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Two-body weak currents in heavy nuclei

In light and medium-mass nuclei, two-body weak currents from chiral effective field theory account for a significant portion of the phenomenological quenching of Gamow-Teller transition matrix elements. Here we examine the systematic effects of two-body axial currents on Gamow-Teller strength and β-decay rates in heavy nuclei within energy-density functional theory. Using a Skyrme functional and the charge-changing finite amplitude method, we add the contributions of two-body currents to the usual one-body linear response in the Gamow-Teller channel, both exactly and though a densitymatrix expansion. The two-body currents, as expected, usually quench both summed Gamow-Teller strength and decay rates, but by an amount that decreases as the neutron excess grows. They can enhance individual low-lying transitions, however, leading to decay rates that are quite different from those that an energy-independent quenching would produce, particularly in neutron-rich nuclei. We show that both these effects are related to changes in the total nucleon density as the number of neutrons increases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗