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DOE OSTI2025

Isolation of Inner-Sphere Aquo Complexes of Samarium(II)

The cis-anti-cis and cis-syn-cis isomers of [Sm(dicyclohexano-18-crown-6)(H 2 O) 2 ]I 2 exhibiting trans water molecules bound to the Sm 2+ ion have been isolated and characterized. Sm 2+ possesses an electrochemical potential sufficient for water reduction, and thus these complexes add to the recent body of evidence that the oxidation of Sm 2+ by water can operate by a mechanism that is not straightforward. These complexes are obtained by the direct addition of stoichiometric amounts of water to solutions of the respective Sm(dicyclohexano-18-crown-6)I 2 isomers under an inert atmosphere. The parent complex, Sm(dicyclohexano-18-crown-6)I 2 , lacking coordinating water molecules can be obtained through rigorous exclusion of water. It was determined that the bulky cyclohexano-substituents deter intramolecular interactions between [Sm(dicyclohexano-18-crown-6)(H 2 O) 2 ]I 2 complexes and slow the oxidization of the metal centers. The extent of the stability of these complexes to the presence of water has been further probed through cyclic voltammetry, where it was found that the redox potential of both isomers of [Sm(dicyclohexano-18-crown-6)(H 2 O) 2 ]I 2 maintains quasi-reversible behavior with a 50,000-fold excess of water to Sm 2+ in solution with the cis-syn-cis complex being quasi-reversible at even higher concentrations of water. Solution-phase spectroscopy of these complexes in acetonitrile shows a corresponding hypsochromic shift of the Sm 2+ 4f → 5d transition typically observed in the visible region from Sm 2+ complexes. Here, the crystalline compounds obtained in this study support solid-state spectroscopic trends observed from other Sm 2+ crown-ether complexes containing iodide counterions, wherein the proximity of the iodide ions to the metal center determines whether the complex can exhibit 4f → 4f photoluminescence.

Crystals↗

DOE OSTI2023

Structural and Biophysical Properties of a [4Fe-4S] Ferredoxin-Like Protein from Synechocystis sp. PCC 6803 with a Unique Two Domain Structure

Electron carrier proteins (ECPs), binding iron-sulfur clusters, are vital components within the intricate network of metabolic and photosynthetic reactions. They play a crucial role in the distribution of reducing equivalents. In Synechocystis sp. PCC 6803, the ECP network includes at least nine ferredoxins. Previous research, including global expression analyses and protein binding studies, has offered initial insights into the functional roles of individual ferredoxins within this network. This study primarily focuses on Ferredoxin 9 (slr2059). Through sequence analysis and computational modeling, Ferredoxin 9 emerges as a unique ECP with a distinctive two-domain architecture. It consists of a C-terminal iron-sulfur binding domain and an N-terminal domain with homology to Nil-domain proteins, connected by a structurally rigid 4-amino acid linker. Notably, in contrast to canonical [2Fe-2S] ferredoxins exemplified by PetF (ssl0020), which feature highly acidic surfaces facilitating electron transfer with photosystem I reaction centers, models of Ferredoxin 9 reveal a more neutral to basic protein surface. Using a combination of electron paramagnetic resonance spectroscopy and square-wave voltammetry on heterologously produced Ferredoxin 9, this study demonstrates that the protein coordinates 2x[4Fe-4S]2+/1+ redox-active and magnetically interacting clusters, with measured redox potentials of -420 +/- 9 mV and -516 +/- 10 mV vs SHE. A more in-depth analysis of Fdx9's unique structure and protein sequence suggests that this type of Nil-2[4Fe-4S] multi-domain ferredoxin is well conserved in cyanobacteria, bearing structural similarities to proteins involved in homocysteine synthesis in methanogens.

cyanobacteria↗

DOE OSTI2024

Study of the f 0 ( 980 ) and f 0 ( 500 ) Scalar Mesons through the Decay D s + → π + π − e + ν e

Using e + e − collision data corresponding to an integrated luminosity of 7.33 fb − 1 recorded by the BESIII detector at center-of-mass energies between 4.128 and 4.226 GeV, we present an analysis of the decay D s + → π + π − e + ν e , where the D s + is produced via the process e + e − → D s * ± D s ∓ . We observe the f 0 ( 980 ) in the π + π − system and the branching fraction of the decay D s + → f 0 ( 980 ) e + ν e with f 0 ( 980 ) → π + π − measured to be ( 1.72 ± 0.1 3 stat ± 0.1 0 syst ) × 10 − 3 , where the uncertainties are statistical and systematic, respectively. The dynamics of the D s + → f 0 ( 980 ) e + ν e decay are studied with the simple pole parametrization of the hadronic form factor and the Flatté formula describing the f 0 ( 980 ) in the differential decay rate, and the product of the form factor f + f 0 ( 0 ) and the c → s Cabibbo-Kobayashi-Maskawa matrix element | V c s | is determined for the first time to be f + f 0 ( 0 ) | V c s | = 0.504 ± 0.01 7 stat ± 0.03 5 syst . Furthermore, the decay D s + → f 0 ( 500 ) e + ν e is searched for the first time but no signal is found. The upper limit on the branching fraction of D s + → f 0 ( 500 ) e + ν e , f 0 ( 500 ) → π + π − decay is set to be 3.3 × 10 − 4 at 90% confidence level. Published by the American Physical Society 2024

Ablikim, M.↗

DOE OSTI2021

Effect of High-Temperature Stress on Plant Physiological Traits and Mycorrhizal Symbiosis in Maize Plants

Increasing high temperature (HT) has a deleterious effect on plant growth. Earlier works reported the protective role of arbuscular mycorrhizal fungi (AMF) under stress conditions, particularly influencing the physiological parameters. However, the protective role of AMF under high-temperature stress examining physiological parameters with characteristic phospholipid fatty acids (PLFA) of soil microbial communities including AMF has not been studied. This work aims to study how high-temperature stress affects photosynthetic and below-ground traits in maize plants with and without AMF. Photosynthetic parameters like quantum yield of photosystem (PS) II, PSI, electron transport, and fractions of open reaction centers decreased in HT exposed plants, but recovered in AMF + HT plants. AMF + HT plants had significantly higher AM-signature 16:1ω5cis neutral lipid fatty acid (NLFA), spore density in soil, and root colonization with lower lipid peroxidation than non-mycorrhizal HT plants. As a result, enriched plants had more active living biomass, which improved photosynthetic efficiency when exposed to heat. This study provides an understanding of how AM-mediated plants can tolerate high temperatures while maintaining the stability of their photosynthetic apparatus. This is the first study to combine above- and below-ground traits, which could lead to a new understanding of plant and rhizosphere stress.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Chasing Gamma-Ray Signals from Binary Neutron Star Coalescences with the Cherenkov Telescope Array: Prospects and Observing Strategies

The detection of gravitational waves (GWs) from a binary neutron star (BNS) merger by Advanced LIGO and Advanced Virgo (GW170817), together with its electromagnetic counterpart, the short gamma-ray burst GRB 170817A, heralded the birth of multimessenger astronomy. The detection of TeV emission from GRBs motivates follow-up observations with the Cherenkov Telescope Array Observatory (CTAO), which is ideal for detecting such signals due to its unprecedented sensitivity, rapid response, and wide-field survey capabilities. The aim of this work is to evaluate GeV–TeV GW follow-up strategies for CTAO using a multistep simulation pipeline and to estimate the expected rate of joint GW–GRB detections during observing run O5. Using a simulated sample of BNS systems with corresponding GW detections, gamma-ray emission is simulated through phenomenological prescriptions based on the observed population of short GRBs, including off-axis jet scenarios. CTAO observations are simulated to account for instrument response, sky tiling strategies, integration times, and varying observing conditions. Strategies with variable and constant integration times are investigated. We find that, via an optimized follow-up strategy, about 5% of simulated GW-associated short GRBs produce GeV–TeV radiation detectable by CTAO. Detectability is strongly influenced by the jet opening angle and viewing angle, suggesting that even rough estimates of the viewing angle in GW alerts could enhance targeting. This framework motivates future follow-ups of GW-detectable events, including neutron star–black hole mergers, and further supports the development of advanced strategies incorporating galaxy distributions and synergies with future detectors such as the Einstein Telescope.

Abe, S. [University of Tokyo] (ORCID:0000000172503↗

DOE OSTI2024

Advancing our understanding of instabilities in high-energy-density systems through the study of benchmark datasets with advanced modeling tools

Numerous types of pulsed power driven inertial confinement fusion (ICF) and high energy density (HED) systems rely on implosion stability to achieve desired temperatures, pressures, and densities. Sandia National Laboratories Pulsed Power Sciences Center’s main ICF platform, Magnetized Liner Inertial Fusion (MagLIF), suffers from implosion instabilities which limit attainable fuel conditions and can compromise fuel confinement. This Truman Fellowship research primarily focused on computationally exploring (a) methods for improving our understanding of hydrodynamic and magnetohydrodynamic instabilities that form during cylindrical liner implosions, (b) methods for mitigating implosion instabilities, particularly those that degrade performance of MagLIF targets, and (c) novel MagLIF target designs intended to improve target performance primarily via enhanced implosion stability. Several multi-dimensional computational tools were used, including the magnetohydrodynamics code ALEGRA, the radiation-magnetohydrodynamics code HYDRA, and the magnetohydrodynamics code KRAKEN. This research succeeded in executing and analyzing simulations of automagnetizing liner implosions, shockless MagLIF implosions, dynamic screw pinch driven cylindrical liner implosions, and cylindrically convergent HED instability studies. The methods and tools explored and developed in this Truman Fellowship research have been published in several peer-reviewed journal articles and will serve as useful contributions to the fields of pulsed power science and engineering, particularly pertaining to pulsed power ICF and HED science.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Single-Molecule Kinetics of Styrene Hydrogenation on Silica-Supported Vanadium: The Role of Disorder for Single-Atom Catalysts

We report a theoretical approach for the study of supported atom catalysis is developed based on recent advances in the study of single-molecule kinetics. This view is particularly useful in exhibiting the role of disorder in single-atom and single-site catalysts on amorphous supports. The distribution of passage times (or waiting times) through a complex catalytic network originating from a set of coupled active sites is described by a probability distribution function (PDF), f(t), that reflects the local environment of the reaction center. An efficient algorithm is developed based on the linear algebra of the Markov transition matrix that produces f(t) or its moments. The kinetics of the hydrogenation reaction of styrene on an organovanadium(III) catalyst supported on amorphous silica is studied. A kinetic model consisting of three intertwined catalytic cycles emanating from three chemically distinct active sites is proposed to describe the chemistry. Density functional theory (DFT) calculations are employed to determine the free energy barriers of the reactions, which are used to construct the rate coefficient matrix. The disorder induced by the amorphous support material is divided into a low-dimensional short-range component reflecting the covalent structures near the reaction center and a weaker long-range component modeling the bulk randomness. The results are computed and analyzed for a wide range of concentration values and disorder scenarios. The unusual structure in the f(t) PDF is found to occur for certain cases that reveal the contribution of multiple catalytic pathways acting in concert.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

A Coupled Analysis of Atmospheric Mass Loss and Tidal Evolution in XUV Irradiated Exoplanets: The TRAPPIST-1 Case Study

Exoplanets residing close to their stars can experience evolution of both their physical structures and their orbits due to the influence of their host stars. In this work, we present a coupled analysis of dynamical tidal dissipation and atmospheric mass loss for exoplanets in X-ray and ultraviolet (XUV) irradiated environments. As our primary application, we use this model to study the TRAPPIST-1 system and place constraints on the interior structure and orbital evolution of the planets. We start by reporting on an ultraviolet continuum flux measurement (centered around ∼1900 Å) for the star TRAPPIST-1, based on 300 ks of Neil Gehrels Swift Observatory data, and which enables an estimate of the XUV-driven thermal escape arising from XUV photodissociation for each planet. We find that the X-ray flaring luminosity, measured from our X-ray detections, of TRAPPIST-1 is 5.6 × 10{sup −4} L {sub *}, while the full flux including non-flaring periods is 6.1 × 10{sup −5} L {sub *}, when L {sub *} is TRAPPIST-1's bolometric luminosity. We then construct a model that includes both atmospheric mass loss and tidal evolution and requires the planets to attain their present-day orbital elements during this coupled evolution. We use this model to constrain the ratio Q{sup ′}=3Q/2k{sub 2} for each planet. Finally, we use additional numerical models implemented with the Virtual Planet Simulator VPLanet to study ocean retention for these planets using our derived system parameters.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Guiding center equations for the magnetic dipole

Since the discovery of Van Allen radiation belts in the 1960s, observations of energetic ions trapped in the Earth's dipole magnetic field have illustrated the remarkable confinement properties of this configuration. As such, it has been used for confining a hot plasma for nuclear fusion studies, starting from the pioneering work of Bo Lehnert and Akira Hasegawa, in the Levitated Dipole Experiment (LDX) at MIT until 2011 and in the RT-1 experiment at the University of Tokyo. More recently, the dipole has been subject to a renewed interest for fusion studies by a couple of startups and for smaller applications as a cold plasma source. While the equilibrium and magneto-hydrodynamic stability of the dipole have been investigated quite in detail, neoclassical properties of the dipole are comparatively much less known: the dipole is more known in geophysics than in fusion science. For this reason, in this paper, we propose a set of Hamiltonian, guiding-center equations to describe the motion of electrons and ions in a magnetic dipole configuration. We also developed a code, and we show the main features of particle motion, benchmarking our results with the analytical solutions for the bounce and precession motion, which are well documented in the literature. We also draw some general conclusions for the neoclassical transport in usual toroidal confinement schemes, such as the tokamak and the stellarator, pointing out the unique advantages of the dipole in confining energetic particles.

Hamiltonian mechanics↗

DOE OSTI2020

Coupled Cluster Study of the Interactions of AnO 2 , AnO 2 + , and AnO 2 2+ (An = U, Np) with N 2 and CO

We report thermochemical and spectroscopic properties for actinyl complexes involving UO 2 2+/1+/0 and NpO 2 2+/1+/0 with N 2 and CO, together with the UO 2 -O 2 , UO 2 + -O 2 , and UO 2 + -NO complexes, have been studied for the first time using an accurate composite coupled cluster approach. Two general bonding motifs were investigated, end-on (η 1 ) and side-on (η 2 ) relative to the metal center of the actinyls. For end-on CO complexes, both C-coordinated (An-C) and O-coordinated (An-O) structures were examined, with the former always being lower in energy. All of the η 1 complexes were calculated to be stable, with dissociation energies ranging from 2 to 36 kcal/mol, except for that of UO 2 + -O 2 (the η 1 orientation for UO 2 + -NO was not amenable to single reference coupled cluster). In agreement with a previous study, the η 2 structure for UO 2 + -O 2 was calculated to be relatively strongly bound, by 22.3 kcal/mol in this work. The closely related NO complex, however, had a calculated dissociation energy of just 4.0 kcal/mol. The binding energy of O 2 to neutral UO 2 in a η 2 orientation was calculated to be very strong, 75.4 kcal/mol, and strongly resembled a UO 2 + (O 2 – ) complex at equilibrium. The N–N and C–O bonds were found to be somewhat activated for all the side-on (η 2 ) neutral An(IV) complexes, with stretching frequencies of N 2 or CO being red-shifted by as much as 480 cm –1 with a 0.06 Å bond length elongation. Dissociation energies for the η 1 complexes are strongly correlated with the extent of electron transfer from ligand to actinyl. The nature of bonding in the actinyl complexes is examined using natural resonance theory (NRT). The correlation between bonding motif and small molecule activation is in agreement with experiments in condensed phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

New Constraints on the Melting Temperature and Phase Stability of Shocked Iron up to 270 GPa Probed by Ultrafast X-Ray Absorption Spectroscopy

Studying the properties and phase diagram of iron at high-pressure and high-temperature conditions has relevant implications for Earth’s inner structure and dynamics and the temperature of the inner core boundary (ICB) at 330 GPa. Also, a hexagonal-closed packed to body-centered cubic (bcc) phase transition has been predicted by many theoretical works but observed only in a few experiments. The recent coupling of high-power laser with advanced x-ray sources from synchrotrons allows for novel approaches to address these issues. Here, we present a study on shock compressed iron up to 270 GPa and 5800 K probed by single-pulse (100 ps FWHM) x-ray absorption spectroscopy (XAS). Based on the analysis of the XAS spectra, we provide structural identification and bulk temperature measurements along the Hugoniot up to the melting. These results rule out the predicted transition to a high-temperature bcc phase and allow one to discriminate among existing equations of state models and melting curves. In particular, we report the first bulk temperature measurement in shock compressed iron on the melting plateau at 240(20) GPa and 5345(600) K. The melting curve resulting from our work extrapolates to a temperature of 6202(514) K at 330 GPa and represents a refined upper bound for the ICB temperature. Published by the American Physical Society 2024

Balugani, S.↗

DOE OSTI2022

Remapping between meshes with isoparametric cells: a case study

We explore an intersection-based remap method between meshes consisting of isoparametric elements. We present algorithms for the case of serendipity isoparametric elements (QUAD8 elements) and piece-wise constant (cell-centered) discrete fields. We demonstrate convergence properties of this remap method with a few numerical experiments.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Carrier recombination dynamics and temperature dependent optical properties of InAs–GaSb heterostructures

Heterostructures with two dissimilar materials could offer unprecedented properties if one can carefully synthesize these heterostructures with atomically smooth interfaces and reduced number of recombination centers. InAs/GaSb-based heterostructures have technological importance for long wavelength infrared photodetectors if one can synthesize these materials with high-optical quality and high-carrier lifetime. In this work, the InAs/GaSb heterostructures with a different number of heterointerfaces and growth conditions were grown by solid source molecular beam epitaxy using valved cracker sources for both arsenic and antimony. Precise control of growth parameters and shutter sequences enabled abrupt InAs/GaSb heterointerfaces, as supported by a high-resolution transmission electron microscopic study. The temperature and power-dependent optical properties by photoluminescence (PL) spectroscopic analysis of InAs/GaSb heterostructures with 4 and 28 heterointerfaces displayed donor to the acceptor and the exciton bound to complex defects (V Ga Ga Sb ) 0 . Since the optical transition in PL measurements serves to determine the quality of the material, and the observed excitonic transitions from these InAs/GaSb heterostructures is an indication of high-quality materials. The high-carrier lifetimes of 139 ns to 185 ns from InAs/GaSb heterostructures were measured using microwave photoconductivity decay (μ-PCD) technique at room temperature. The observed increase in carrier lifetime is due to the decreasing number of Ga-related carrier recombination centers or defect complexes. This is further supported by the PL spectroscopic study. In addition, the carrier lifetime with different injection levels is supported by Shockley–Read–Hall recombination. We report these InAs/GaSb heterostructures with high-optical quality and high-carrier lifetimes would offer a path for the development of high-performance infrared photodetectors.

36 MATERIALS SCIENCE↗

DOE OSTI2021

EPIsembleVis: A geo-visual analysis and comparison of the prediction ensembles of multiple COVID-19 models

In this work, we present EPIsembleVis, a web-based comparative visual analysis tool for evaluating the consistency of multiple COVID-19 prediction models. Our approach analyzes a collection of COVID-19 predictions from different epidemiological models as an ensemble and utilizes two metrics to quantify model performance. These metrics include (a) prediction uncertainty (represented as the dispersion of predictions in each ensemble) and (b) prediction error (calculated by comparing individual model predictions with the recorded data). Through an interactive visual interface, our approach provides a data-driven workflow for (a) selecting and constructing the COVID-19 model prediction ensemble based on the spatiotemporal overlap of available predictions of multiple epidemiological models, (b) quantifying the model performance using both the uncertainty of each model prediction ensemble, and the error of each ensemble member that represents individual model predictions, and (c) visualizing the spatiotemporal variability in the projection performance of individual models using a suite of novel ensemble visualization techniques, such as the data availability map, a spatiotemporal textured-tile calendar, multivariate rose chart, and time-series leaflet glyph. We demonstrate the capability of our ensemble visual interface through a case study that investigates the performance of weekly COVID-19 predictions, which are provided through the COVID-19 Forecast Hub UMass-Amherst Influenza Forecasting Center of Excellence [47] for the United States and United States Territories. The EPIsembleVis tool is implemented using open-source web technologies and adaptive system design, rendering it interoperable with Elasticsearch and Kibana for automatically ingesting COVID-19 predictions from online repositories, and it is generalizable for analyzing worldwide projections from more epidemiological models.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

Development, optimization, and application of an episomal plasmid system for Rhodotorula toruloides

Rhodotorula toruloides is an emerging oleaginous yeast with strong potential as a microbial cell factory for the production of acetyl-CoA-derived bioproducts. However, engineering of this organism has been limited by the absence of a functional episomal plasmid system, a foundational genetic tool for rapid gene expression, pathway testing, and CRISPR-based genome engineering. Here, we report the first episomal plasmid system for R. toruloides . Through systematic screening of candidate autonomously replicating sequences (ARSs) from diverse sources, we identified multiple functional ARS elements and selected C63F4, a fragment derived from Contig 63 of R. toruloides CBS14, because of its stable performance. The resulting pC63F4 plasmid was maintained episomally, supported GFP reporter expression, exhibited a copy number of 2.39 ± 0.13, and showed good stability during long term cultivation. To overcome poor transformation efficiency, we developed a Cre- loxP -mediated in vivo re-circularization strategy that enabled reliable delivery of the episomal plasmid. Using this improved system, we demonstrated functional episomal expression of metabolic engineering genes and multi-gene pathways for the production of triacetic acid lactone, fatty alcohols, and limonene. Finally, we leveraged this platform to establish a redesigned CRISPR system that enables seamless genome editing in R. toruloides for the first time, while also simplifying marker recycling. Together, this work establishes a long-needed episomal plasmid platform and associated CRISPR toolkit that will accelerate metabolic engineering, synthetic biology, and fundamental studies in R. toruloides .

CRISPR-Cas9↗

DOE OSTI2023

Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry

Due to intense interest in the potential applications of quantum computing, it is critical to understand the basis for potential exponential quantum advantage in quantum chemistry. Here we gather the evidence for this case in the most common task in quantum chemistry, namely, ground-state energy estimation, for generic chemical problems where heuristic quantum state preparation might be assumed to be efficient. The availability of exponential quantum advantage then centers on whether features of the physical problem that enable efficient heuristic quantum state preparation also enable efficient solution by classical heuristics. Through numerical studies of quantum state preparation and empirical complexity analysis (including the error scaling) of classical heuristics, in both ab initio and model Hamiltonian settings, we conclude that evidence for such an exponential advantage across chemical space has yet to be found. While quantum computers may still prove useful for ground-state quantum chemistry through polynomial speedups, it may be prudent to assume exponential speedups are not generically available for this problem.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Measurement of Local Magnetic Fields in Actinide Tetrafluorides

Fluorine-19 magnetic shielding tensors have been measured in a series of actinide tetrafluorides (AnF4) by solid state nuclear magnetic resonance (NMR) spectroscopy. Tetravalent actinide centers with 0 to 8 valence electrons can form tetrafluorides with the same unit cell, making these compounds an attractive choice for a systematic study of the variation in electronic structure across the 5f row of the Periodic Table. Pronounced deviations from predictions based on localized valence electron models have been detected by these experiments, which suggests that this approach may be used as a quantitative probe of electronic correlations.

Walter, Eric D.↗

DOE OSTI2024

Electron– K -phonon interaction in twisted bilayer graphene

We develop an analytic theory to describe the interaction between electrons and K phonons and study its influence on superconductivity in the bare bands of twisted bilayer graphene (TBG). We find that, due to symmetry and the two-center approximation, only one optical K phonon (160meV) of graphene is responsible for the intervalley electron-phonon interaction. Here, this phonon has recently been found in angular-resolved photoemission spectroscopy to be responsible for replicas of the TBG flat bands. By projecting the interaction to the TBG flat bands, we perform the full symmetry analysis of the phonon-mediated attractive interaction and pairing channels in the Chern basis, and show that several channels are guaranteed to have gapless order parameters. From the linearized gap equations, we find that the highest T c pairing induced by this phonon is a singlet gapped s-wave inter-Chern-band order parameter, followed closely by a gapless nematic d-wave intra-Chern-band order parameter. We justify these results analytically, using the topological heavy-fermion mapping of TBG which has allowed us to obtain an analytic form of a phonon-mediated attractive interaction and to analytically solve the linearized and T = 0 gap equations. For the intra-Chern-band channel, the nematic state with nodes is shown to be stabilized in the chiral flat-band limit. While the flat-band Coulomb interaction can be screened sufficiently enough—around the Van Hove singularities—to allow for electron-phonon based superconductivity, it is unlikely that this effect can be maintained in the lower density of states excitation bands around the correlated insulator states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗