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DOE OSTI2016

Multi-device studies of pedestal physics and confinement in the I-mode regime

This paper describes joint ITPA studies of the I-mode regime, which features an edge thermal barrier together with L-mode-like particle and impurity transport and no Edge Localized Modes (ELMs). The regime has been demonstrated on the Alcator C-Mod, ASDEX Upgrade and DIII-D tokamaks, over a wide range of device parameters and pedestal conditions. Dimensionless parameters at the pedestal show overlap across devices and extend to low collisionality. When they are matched, pedestal temperature profiles are also similar. Pedestals are stable to peeling ballooning modes, consistent with lack of ELMs. Access to Imode is independent of heating method (neutral beam injection, Ion Cyclotron and/or Electron Cyclotron Resonance Heating). Normalized energy confinement H 98,y2 ≥ 1 has been achieved for a range of 3 ≤ q 95 ≤ 4.9 and scales favourably with power. Changes in turbulence in the pedestal region accompany the transition from L-mode to I-mode. The L-I threshold increases with plasma density and current, and with device size, but has a weak dependence on toroidal magnetic field B T . The upper limit of power for I-modes, which is set by I-H transitions, increases with B T and the power range is largest on Alcator C-Mod at B > 5 T. Finally, issues for extrapolation to ITER and other future fusion devices are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

FY-2013 FES (Fusion Energy Sciences) Joint Research Target Report

The H-mode confinement regime is characterized by a region of good thermal and particle confinement at the edge of the confined plasma, and has generally been envisioned as the operating regime for ITER and other next step devices. This good confinement is often interrupted, however, by edge-localized instabilities, known as ELMs. On the one hand, these ELMs provide particle and impurity flushing from the plasma core, a beneficial effect facilitating density control and stationary operation. On the other hand, the ELMs result in a substantial fraction of the edge stored energy flowing in bursts to the divertor and first wall; this impulsive thermal loading would result in unacceptable erosion of these material surfaces if it is not arrested. Hence, developing and understanding operating regimes that have the energy confinement of standard H-mode and the stationarity that is provided by ELMs, while at the same time eliminating the impulsive thermal loading of large ELMs, is the focus of the 2013 FES Joint Research Target (JRT): Annual Target: Conduct experiments and analysis on major fusion facilities, to evaluate stationary enhanced confinement regimes without large Edge Localized Modes (ELMs), and to improve understanding of the underlying physical mechanisms that allow acceptable edge particle transport while maintaining a strong thermal transport barrier. Mechanisms to be investigated can include intrinsic continuous edge plasma modes and externally applied 3D fields. Candidate regimes and techniques have been pioneered by each of the three major US facilities (C-Mod, D3D and NSTX). Coordinated experiments, measurements, and analysis will be carried out to assess and understand the operational space for the regimes. Exploiting the complementary parameters and tools of the devices, joint teams will aim to more closely approach key dimensionless parameters of ITER, and to identify correlations between edge fluctuations and transport. The role of rotation will be investigated. The research will strengthen the basis for extrapolation of stationary regimes which combine high energy confinement with good particle and impurity control, to ITER and other future fusion facilities for which avoidance of large ELMs is a critical issue. Data from the Alcator C-Mod tokamak (MIT), DIII-D tokamak (General Atomics), and NSTX spherical tokamak (PPPL) contribute to this report. Experiments specifically motivated by this research target were conducted on DIII-D, with a national team of researchers from GA, LLNL, PPPL, MIT and ORNL contributing. Both the Alcator C-Mod and NSTX-U teams contributed analysis of previously collected data, as those two facilities did not operate in FY2013. Within each of the three research groups, members from both the host institutions and collaborating institutions made critical contributions. Highlights from these research activities are provided, with additional details.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Inference of Experimental Radial Impurity Transport on Alcator C-Mod: Bayesian Parameter Estimation and Model Selection.

We present a fully Bayesian approach for the inference of radial profiles of impurity transport coefficients and compare its results to neoclassical, gyrofluid and gyrokinetic modeling. Using nested sampling, the Bayesian Impurity Transport InferencE (BITE) framework can handle complex parameter spaces with multiple possible solutions, offering great advantages in interpretative power and reliability with respect to previously demonstrated methods. BITE employs a forward model based on the pySTRAHL package, built on the success of the well-known STRAHL code [Dux, IPP Report, 2004], to simulate impurity transport in magnetically-confined plasmas. In this paper, we focus on calcium (Ca, Z=20) Laser Blow-Off injections into Alcator C-Mod plasmas. Multiple Ca atomic lines are diagnosed via high-resolution X-ray Imaging Crystal Spectroscopy and Vacuum Ultra-Violet measurements. We analyze a sawtoothing I-mode discharge for which neoclassical and turbulent (quasilinear and nonlinear) predictions are also obtained. We find good agreement in diffusion across the entire radial extent, while turbulent convection and density profile peaking are estimated to be larger in experiment than suggested by theory. Efforts and challenges associated with the inference of experimental pedestal impurity transport are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Inference of experimental radial impurity transport on Alcator C-Mod: Bayesian parameter estimation and model selection

We present a fully Bayesian approach for the inference of radial profiles of impurity transport coefficients and compare its results to neoclassical, gyrofluid and gyrokinetic modeling. Using nested sampling, the Bayesian Impurity Transport InferencE (BITE) framework can handle complex parameter spaces with multiple possible solutions, offering great advantages in interpretative power and reliability with respect to previously demonstrated methods. BITE employs a forward model based on the pySTRAHL package, built on the success of the well-known STRAHL code [Dux, IPP Report, 2004], to simulate impurity transport in magnetically-confined plasmas. In this paper, we focus on calcium (Ca, Z=20) Laser Blow-Off injections into Alcator C-Mod plasmas. Multiple Ca atomic lines are diagnosed via high-resolution X-ray Imaging Crystal Spectroscopy and Vacuum Ultra-Violet measurements. We analyze a sawtoothing I-mode discharge for which neoclassical and turbulent (quasilinear and nonlinear) predictions are also obtained. Here, we find good agreement in diffusion across the entire radial extent, while turbulent convection and density profile peaking are estimated to be larger in experiment than suggested by theory. Efforts and challenges associated with the inference of experimental pedestal impurity transport are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Singlet, triplet, and pair density wave superconductivity in the doped triangular-lattice moiré system

Recent experimental progress has established the twisted bilayer transition metal dichalcogenide (TMD) as a highly tunable platform for studying many-body physics. Particularly, the homobilayer TMDs under displacement field are believed to be described by a generalized triangular-lattice Hubbard model with a spin-dependent hopping phase θ. To explore the effects of θ on the system, we perform density matrix renormalization group calculations for the relevant triangular lattice t-J model. By changing θ at small hole doping, we obtain a region of quasi-long-range superconducting order coexisting with charge and spin density wave within 0 < θ < π/3. The superconductivity is composed of a dominant spin singlet d-wave and a subdominant triplet p-wave pairing. Intriguingly, the S z = ±1 triplet pairing components feature pair-density waves. In addition, we find a region of triplet superconductivity coexisting with charge-density wave and ferromagnetism within π/3 < θ < 2π/3, which is related to the former phase at smaller θ by a combined operation of spin-flip and gauge transformation. Furthermore, our findings provide insights and directions for experimental search for exotic superconductivity in twisted TMD systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Data From: Influence of Hydrological Perturbations and Riverbed Sediment Characteristics on Hyporheic Zone Respiration of CO2 and N-2, Journal of Geophysical Research-Biogeosciences

This data package contains pumping data (.txt), parameter matrices, and R code (.R, .RData) to perform bootstrapping for parameter selection for the bioclogging model development. The pumping data were collected from the Russian River Riverbank Filtration site located in Sonoma County, California from 2010-2017 from three riverbank collection wells located alongside the study site. The pumping data is directly correlated with water table oscillations, so the code performs these correlations and simulates stochastic versions of water table oscillations. See Metadata Description.pdf for full details on dataset production. This dataset must be used with the R programming language. This dataset and R code is associated with the publication "Influence of Hydrological Perturbations and Riverbed Sediment Characteristics on Hyporheic Zone Respiration of CO2 and N-2"This research was supported by the Jane Lewis Fellowship from the University of California, Berkeley, the Sonoma County Water Agency (SCWA), the Roy G. Post Foundation Scholarship, the U.S. Department of Energy, Office of Science Graduate Student Research (SCGSR) Program, U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research under award DE-AC02-05CH11231, and the UFZ-Helmholtz Centre for Environmental Research, Leipzig, Germany.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Adsorption-Induced Surface Magnetism

We report the emergence of adsorption-induced magnetism from heterohelicene molecules on a nonmagnetic Cu(100) surface. Spin-polarized low-energy electron microscopy measurements reveal spin-dependent electron reflectivity for enantiopure 7,12,17-trioxa[11]helicene (TO[11]H) monolayers, indicating the formation of a spin-polarized state localized in the topmost copper layer. Control experiments on clean Cu(100) and TO[11]H on highly oriented pyrolytic graphite show no such effect, excluding artifacts and chirality-induced spin selectivity as origins. Spin-polarized density functional theory calculations with hybrid functionals attribute the magnetism to strong chemisorption, which induces hybridization between the molecular HOMO and copper s- and d-states, driving asymmetric spin-polarized charge redistribution at the interface. An extended Newns-Anderson-Grimley model incorporating on-site Coulomb repulsion in Cu d-orbitals reproduces the emergence of interfacial spin polarization above a threshold interaction strength, highlighting the key roles of hybridization parameters and Coulomb correlation. These findings reveal a mechanism for inducing magnetism at molecule-metal interfaces without inherently magnetic components, offering avenues for engineering spin-polarized states in organic-inorganic hybrid systems.

Hubbard model↗

DOE OSTI2019

Deep vadose zone respiration contributions to CO2 fluxes from a semi-arid floodplain, Vadose Zone Journal: Dataset

This data package provides lists of parameter values presented in the paper “Deep vadose zone respiration contributions to CO2 fluxes from a semi-arid floodplain” by Tokunaga et al., Vadose Zone J. 2016. Each table or figure from that paper that contains numerical information is represented as a sheet within the Excel file. Table 1 lists depth profile values for particle-size, bulk density, and parameters for correlating moisture contents with matric potentials. Table 2 lists soil respiration fluxes reported in other studies of semi-arid environments. Figure 3. Presents representative relations between moisture contents with matric potentials. Figure 4 presents depth profiles on different dates at site TT03 for hydraulic head, matric head, pore space volumetric air fraction, temperature, and the effective CO2 diffusion coefficient. Figure 5a presents the time-dependence of relative water table elevation (relative to the deepest measured depth during the study), daily CO2 flux rates at the soil surface, and soil temperature at a depth of 0.20 m. Figure 5b presents continuous measurements of CO2 flux and soil temperature. Figure 6 presents depth profiles on different dates of CO2 concentrations in the gas phase at the 5 monitoring stations. Figure 7 presents CO2 surface fluxes calculated by the gradient method, comparisons between calculated and measured rates at the soil surface, CO2 fluxes at 2m depth, and the ratio of deep (2 m) to surface CO2 fluxes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2011

Edge energy transport barrier and turbulence in the I-mode regime on Alcator C-Mod

We report extended studies of the I-mode regime [Whyte et al., Nucl. Fusion 50, 105005 (2010)] obtained in the Alcator C-Mod tokamak [Marmar et al., Fusion Sci. Technol. 51(3), 3261 (2007)]. This regime, usually accessed with unfavorable ion B x {nabla}B drift, features an edge thermal transport barrier without a strong particle transport barrier. Steady I-modes have now been obtained with favorable B x {nabla}B drift, by using specific plasma shapes, as well as with unfavorable drift over a wider range of shapes and plasma parameters. With favorable drift, power thresholds are close to the standard scaling for L-H transitions, while with unfavorable drift they are {approx} 1.5-3 times higher, increasing with I{sub p}. Global energy confinement in both drift configurations is comparable to H-mode scalings, while density profiles and impurity confinement are close to those in L-mode. Transport analysis of the edge region shows a decrease in edge {chi}{sub eff}, by typically a factor of 3, between L- and I-mode. The decrease correlates with a drop in mid-frequency fluctuations (f{approx} 50-150 kHz) observed on both density and magnetics diagnostics. Edge fluctuations at higher frequencies often increase above L-mode levels, peaking at f{approx} 250 kHz. This weakly coherent mode is clearest and has narrowest width ({Delta}f/f{approx} 0.45) at low q{sub 95} and high T{sub ped}, up to 1 keV. The E{sub r} well in I-mode is intermediate between L- and H-mode and is dominated by the diamagnetic contribution in the impurity radial force balance, without the V{sub pol} shear typical of H-modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Comparative analysis of the transcriptome across distant species

The transcriptome is the readout of the genome. Identifying common features in it across distant species can reveal fundamental principles. To this end, the ENCODE and modENCODE consortia have generated large amounts of matched RNA-sequencing data for human, worm and fly. Uniform processing and comprehensive annotation of these data allow comparison across metazoan phyla, extending beyond earlier within-phylum transcriptome comparisons and revealing ancient, conserved features[1,2,3,4,5,6]. Specifically, we discovered co-expression modules shared across animals, many of which are enriched in developmental genes. Moreover, we used expression patterns to align the stages in worm and fly development, finding a novel pairing between worm embryo and fly pupae, in addition to the expected embryo-to-embryo and larvae-to-larvae pairings. Furthermore, we found that the extent of non-canonical, non-coding transcription is similar in each organism, per base-pair. Finally, we found in all three organisms the gene-expression levels, both coding and non-coding, can be quantitatively predicted from chromatin features at the promoter using a “universal model,” based on a single set of organism-independent parameters. Our comparison used the ENCODE-modENCODE RNA resource (Fig. ED1). This resource comprises: (1) deeply sequenced RNA-Seq data from many distinct samples from all three organisms; (2) comprehensive annotation of transcribed elements and (3) uniformly processed, standardized analysis files, focusing on non-coding transcription and expression patterns. Where practical, these datasets match comparable samples across organisms and to other types of functional genomics data. In total, the resource contains 575 different experiments containing >67B sequence reads. It encompasses many different RNA types, including poly(A)+, poly(A)- and ribosomal-RNA-depleted RNA and short and long RNA.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1990

Pyroelectric detectors

The multi-agency, long-term Global Change programs, and specifically NASA's Earth Observing system, will require some new and advanced photon detector technology which must be specifically tailored for long-term stability, broad spectral range, cooling constraints, and other parameters. Whereas MCT and GaAs alloy based photovoltaic detectors and detector arrays reach most impressive results to wavelengths as long as 12 microns when cooled to below 70 K, other materials, such as ferroelectrics and pyroelectrics, appear to offer special opportunities beyond 12 microns and above 70 K. These materials have found very broad use in a wide variety of room temperature applications. Little is known about these classes of materials at sub-room temperatures and no photon detector results have been reported. From the limited information available, researchers conclude that the room temperature values of D asterisk greater than or equal to 10(exp 9) cm Hz(exp 1/2)/W may be improved by one to two orders of magnitude upon cooling to temperatures around 70 K. Improvements of up to one order of magnitude appear feasible for temperatures achievable by passive cooling. The flat detector response over a wavelength range reaching from the visible to beyond 50 microns, which is an intrinsic advantage of bolometric devices, makes for easy calibration. The fact that these materials have been developed for reduced temperature applications makes ferro- and pyroelectric materials most attractive candidates for serious exploration.

Haller, Eugene E.↗

DOE OSTI2019

Radiative heat exhaust in Alcator C-Mod I-mode plasmas

In order to more completely demonstrate the I-mode regime as a compelling fusion reactor operating scenario, the first dedicated attempts at I-mode radiative heat exhaust and detachment were carried out on Alcator C-Mod. Results conclusively show that within the parameter space explored, an I/L back-transition is triggered prior to meaningful reductions in parallel heat flux, q ║ , target temperature, T e,tar and target pressure, p e,tar at the outer divertor. The exact mechanism for the I/L trigger remains uncertain, but a multi-diagnostic investigation suggests the pedestal regulation physics is impacted promptly by small amounts of N 2 seeded into the private flux region. Furthermore, the time delay between when N 2 contacts the plasma and the I/L transition is triggered varied from 30–120 ms, approximately 0.7-3×τ E , and the delay varied inversely with I-mode pedestal-top pressure, p e,95 . Power and nitrogen influx scans indicate that the I/L transitions are not linked to excessive bulk-plasma impurity radiation. Additionally, it is also shown that in the subsequent L-mode following nitrogen seeding, q ║ and T e,tar can be reduced by factors of ~10. The I/L transition and L-mode exhaust results using N 2 are compared to similar attempts using Ne where such q ║ and T e,tar reductions in L-mode are limited to factors of 2-3. Implications for the I-mode regime are discussed, including needs for follow-up experiments on other facilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

TU-G-204-01: BEST IN PHYSICS (IMAGING): Dynamic CT Myocardial Perfusion Measurement and Its Comparison to Fractional Flow Reserve

Purpose: To evaluate a first pass analysis (FPA) technique for CT perfusion measurement in a swine animal and its validation using fractional flow reserve (FFR) as a reference standard. Methods: Swine were placed under anesthesia and relevant physiologic parameters were continuously recorded. Intra-coronary adenosine was administered to induce maximum hyperemia. A pressure wire was advanced distal to the first diagonal branch of the left anterior descending (LAD) artery for FFR measurements and a balloon dilation catheter was inserted over the pressure wire into the proximal LAD to create varying levels of stenosis. Images were acquired with a 320-row wide volume CT scanner. Three main coronary perfusion beds were delineated in the myocardium using arteries extracted from CT angiography images using a minimum energy hypothesis. The integrated density in the perfusion bed was used to calculate perfusion using the FPA technique. The perfusion in the LAD bed over a range of stenosis severity was measured. The measured fractional perfusion was compared to FFR and linear regression was performed. Results: The measured fractional perfusion using the FPA technique (P-FPA) and FFR were related as P-FPA = 1.06FFR – 0.06 (r{sup 2} = 0.86). The perfusion measurements were calculated with only three to five total CT volume scans, which drastically reduces the radiation dose as compared with the existing techniques requiring 15–20 volume scans. Conclusion: The measured perfusion using the first pass analysis technique showed good correlation with FFR measurements as a reference standard. The technique for perfusion measurement can potentially make a substantial reduction in radiation dose as compared with the existing techniques.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

On the correlation between ‘non-local’ effects and intrinsic rotation reversals in Alcator C-Mod

Contemporary predictive models for heat and particle transport in tokamak plasmas are based on the assumption that local fluxes can be described in terms of local plasma parameters, where electromagnetic drift-wave-type turbulence is driven by local gradients and results in cross-field transport. The question of whether or not transport could be dominated by non-local terms in certain circumstances is essential for our understanding of transport in magnetically confined plasmas, and critical for developing predictive models for future tokamaks, such as ITER. Perturbative transport experiments using cold-pulse injections at low density seem to challenge the local closure of anomalous transport: a rapid temperature increase in the core of the plasma following a sharp edge cooling is widely observed in tokamaks and helical devices. Past work in Ohmic plasmas in Alcator C-Mod and in ECH plasmas in KSTAR found that the temperature inversions disappear at higher densities, above the intrinsic toroidal rotation reversal density. These observations suggested that the so-called 'non-local' heat transport effects were related to the intrinsic rotation reversal, and therefore to changes in momentum transport. In this work, new experiments and analysis at Alcator C-Mod show that intrinsic rotation reversals and disappearance of temperature inversions are not concomitant in Ohmic plasmas at high plasma current and in ICRH L-modes. This new data set shows that the correlation between transient temperature inversions and intrinsic rotation reversals is not universal, suggesting that 'non-local' heat transport and momentum transport effects may be affected by different physical mechanisms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

On the correlation between ‘non-local’ effects and intrinsic rotation reversals in Alcator C-Mod

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Development of III-Sb Quantum Dot Systems for High Efficiency Intermediate Band Solar Cells

This project aimed to develop solar cells that can help reduce cost per watt. This work focused on developing solar cells that utilize quantum dot (QD) nanomaterials to provide multijunction solar cell efficiency at the cost of single junction solar cell. We focused on a novel concept known as intermediate band solar cells (IBSC) where an additional energy band is inserted in a single solar cell to accommodate sub-bandgap photons absorption which otherwise are lost through transmission. The additional energy band can be achieved by growing QDs within a solar cell p-n junction. Though numerous studies have been conducted to develop such QD systems, very small improvements in solar energy conversion efficiency have been reported. This is mainly due to non-optimal material parameters such as band gap, band offset etc. In this work, we identified and developed a novel QD material system that meets the requirements of IBSC more closely than the current state-of-the-art technology. To achieve these goals, we focused on three important areas of solar cell design: band structure calculations of new materials, efficient device design for high efficiency, and development of new semiconductor materials. In this project, we focused on III-Sb materials as they possess a wide range of energy bandgaps from 0.2 eV to 2eV. Despite the difficulty involved in realizing these materials, we were successfully developed these materials through a systematic approach. Materials studied in this work are AlAsSb (Aluminum Arsenide Antimonide), InAlAs (Indium Aluminum Arsenide) and InAs (Indium Arsenide). InAs was used to develop QD layers within AlAsSb and InAlAs p-n junctions. As the QDs have very small volume, up to 30 QD layers been inserted into the p-n junction to enhance light absorption. These QD multi-stack devices helped in understanding the challenges associated with the development of quantum dot solar cells. The results from this work show that the quantum dot solar cells indeed improve the efficiency via sub-bandgap photon absorption but much lower than the expected theoretical efficiencies. Yet, these devices serve as a proof of concept and the results provide vital information for future IBSC work. With further understanding of the operation of intermediate band solar cells and the identification of less expensive materials can substantially improve the solar cell efficiency and drastically cut the cell cost thereby reducing the dollar/watt cost.

14 SOLAR ENERGY↗

DOE OSTI2022

A distributed temperature profiling system for vertically and laterally dense acquisition of soil and snow temperature

Abstract. Measuring soil and snow temperature with high vertical and lateral resolution is critical for advancing the predictive understanding of thermal and hydro-biogeochemical processes that govern the behavior of environmental systems. Vertically resolved soil temperature measurements enable the estimation of soil thermal regimes, frozen-/thawed-layer thickness, thermal parameters, and heat and/or water fluxes. Similarly, they can be used to capture the snow depth and the snowpack thermal parameters and fluxes. However, these measurements are challenging to acquire using conventional approaches due to their total cost, their limited vertical resolution, and their large installation footprint. This study presents the development and validation of a novel distributed temperature profiling (DTP) system that addresses these challenges. The system leverages digital temperature sensors to provide unprecedented, finely resolved depth profiles of temperature measurements with flexibility in system geometry and vertical resolution. The integrated miniaturized logger enables automated data acquisition, management, and wireless transfer. A novel calibration approach adapted to the DTP system confirms the factory-assured sensor accuracy of ±0.1 ∘C and enables improving it to ±0.015 ∘C. Numerical experiments indicate that, under normal environmental conditions, an additional error of 0.01 % in amplitude and 70 s time delay in amplitude for a diurnal period can be expected, owing to the DTP housing. We demonstrate the DTP systems capability at two field sites, one focused on understanding how snow dynamics influence mountainous water resources and the other focused on understanding how soil properties influence carbon cycling. Results indicate that the DTP system reliably captures the dynamics in snow depth and soil freezing and thawing depth, enabling advances in understanding the intensity and timing in surface processes and their impact on subsurface thermohydrological regimes. Overall, the DTP system fulfills the needs for data accuracy, minimal power consumption, and low total cost, enabling advances in the multiscale understanding of various cryospheric and hydro-biogeochemical processes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Emergent Superconductivity and Competing Charge Orders in Hole-Doped Square-Lattice t – J Model

The square-lattice Hubbard and closely related t-J models are considered as basic paradigms for understanding strong correlation effects and unconventional superconductivity (SC). Recent large-scale density matrix renormalization group simulations on the extended t-J model have identified d-wave SC on the electron-doped side (with the next-nearest-neighbor hopping t 2 > 0) but a dominant charge density wave (CDW) order on the hole-doped side (t 2 < 0), which is inconsistent with the SC of hole-doped cuprate compounds. We re-examine the ground-state phase diagram of the extended t-J model by employing the state-of-the-art density matrix renormalization group calculations with much enhanced bond dimensions, allowing more accurate determination of the ground state. On six-leg cylinders, while different CDW phases are identified on the hole-doped side for the doping range δ = 1/16 – 1/8, a SC phase emerges at a lower doping regime, with algebraically decaying pairing correlations and d-wave symmetry. On the wider eight-leg systems, the d-wave SC also emerges on the hole-doped side at the optimal 1=8 doping, demonstrating the winning of SC over CDW by increasing the system width. Furthermore, our results not only suggest a new path to SC in general t-J model through weakening the competing charge orders, but also provide a unified understanding on the SC of both hole- and electron-doped cuprate superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗