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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A phenology- and trend-based approach for accurate mapping of sea-level driven coastal forest retreat

The rapid replacement of upland forest by encroaching marshland is a striking manifestation of global sea-level rise (SLR). Timely and high-resolution information on the location and extent of transition forest (the ecotone between upland forest and marsh where tree mortality due to seawater intrusion begins) is fundamental to understanding the processes and patterns of SLR-driven landscape reorganization. Despite its significance, accurate characterization of salt-impacted transition forest remains challenging due to the complexity of coastal environments, scarcity of ground-truth data, and the lack of effective mapping algorithms. Here we use the full archive of Landsat images between 1984 and 2021 to investigate the spectral, temporal, and phenological characteristics of transition forest, and develop a robust framework for monitoring coastal vegetation shifts in the mid-Atlantic U.S., a global SLR hotspot. Here, we found that transition forest exhibits strong negative NDVI trends and a deviation of land surface phenology from marsh and upland forest that distinguishes itself from surrounding vegetation. By integrating temporal trends and land surface phenology, our results demonstrate superior discrimination between marsh and coastal forests to existing map products (e.g. NOAA Coastal Change Analysis Program, National Land Cover Database) that allows a reliable identification of the coastal treeline. We applied the approach to map regional land cover in 1985, 2000 and 2020 (overall classification accuracy >92%) and found that the area of coastal forest decreased by 22.0% from 1985 to 2020, the majority of which transitioned to marshland (92.3%, 5.3 × 10 3 ha). Based upon fine-scale patterns of coastal transgression, we created a practical workflow for spatially explicit quantification of forest retreat rates. Concurrent with rising sea level, coastal forests migrated upslope from 0.63 (± 0.27) m above sea level in 1985 to 0.78 (± 0.32) m above sea level in 2020, and horizontal forest retreat rates accelerated from 3.1 (range of 0–36) m yr -1 during 1985–2000 to 4.7 (0–55) m yr -1 during 2001–2020. As SLR continues to accelerate, our study may serve as a scalable solution for consistent tracking of coastal landscape evolution that is urgently needed for sustainable forest and wetland management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Landscape analysis of environmental data sources for linkage with SEER cancer patients database

Abstract One of the challenges associated with understanding environmental impacts on cancer risk and outcomes is estimating potential exposures of individuals diagnosed with cancer to adverse environmental conditions over the life course. Historically, this has been partly due to the lack of reliable measures of cancer patients’ potential environmental exposures before a cancer diagnosis. The emerging sources of cancer-related spatiotemporal environmental data and residential history information, coupled with novel technologies for data extraction and linkage, present an opportunity to integrate these data into the existing cancer surveillance data infrastructure, thereby facilitating more comprehensive assessment of cancer risk and outcomes. In this paper, we performed a landscape analysis of the available environmental data sources that could be linked to historical residential address information of cancer patients’ records collected by the National Cancer Institute’s Surveillance, Epidemiology, and End Results Program. The objective is to enable researchers to use these data to assess potential exposures at the time of cancer initiation through the time of diagnosis and even after diagnosis. The paper addresses the challenges associated with data collection and completeness at various spatial and temporal scales, as well as opportunities and directions for future research.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Multimodal hard X-ray nanoprobe techniques for operando investigations of photovoltaic devices

Compared with conventional laboratory-scale X-ray techniques, synchrotron based X-rays with higher brilliance and higher coherence allow for the investigation of various material properties with high spatial resolution. The microscopic behaviours of materials can be examined using the Hard X-ray Nanoprobe beamline (I14) at Diamond Light Source, which provides a 50 nm focused beam and has been successfully employed to identify nanoscale optoelectronic features in energy-harvesting materials such as halide perovskites that exhibit local heterogeneity. We have developed X-ray beam-induced current (XBIC) measurement capability at I14 to address the growing demand for operando analysis in energy-harvesting research. Here, we demonstrate that X-ray fluorescence (XRF)/XBIC multimodal measurements are feasible at I14 and apply these newly implemented techniques to study perovskite solar cells with various additive concentrations to understand the effect of the additive on nanoscale optoelectronic performance. This expanded operando characterization capability offers the possibility of monitoring nanometre-scale compositional variations and corresponding optoelectronic features of actual solar cell configurations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Observational Data for Next-Generation Climate Model Evaluation: Requirements, Considerations, and Best Practices

Climate model simulations are an important source of information about our planet’s climate system and also enable informed decision-making under different future scenarios. As a new archive of results from the next generation of climate models is anticipated to become available with the Coupled Model Intercomparison Project phase 7 (CMIP7), the need to develop efficient and robust methods to evaluate models is paramount. Observations are an integral part of model evaluation, providing a means to quantify and understand the degree to which climate models can faithfully reproduce Earth system processes. Such analysis is critical for constraining climate projections, identifying areas of focus for model development, and assisting analysts in deciphering the utility of models for specific applications. Observations of Earth system come from a diversity of sources, span different space–time domains, and are produced by different communities, and each dataset features different data structures and formats, metadata standards, and its own unique uncertainties. Uncertainties in an observational dataset may stem from gaps in temporal and spatial coverage, instrumentation errors, or assumptions in retrieval and processing methods. How then does one ensure that observational data are ready for use and utilized in the most appropriate way for robust, rapid, and routine climate model evaluation? The CMIP7 Model Benchmarking Task Team with input from the broader climate modeling, model evaluation, and observational data communities present a vision and considerations for best practices toward the optimal and appropriate use of observational data to support next-generation climate model evaluation.

Climate models↗
DOE OSTI2022

In-Situ Spatial Mapping of Hydrogen in Yttrium Hydrides at LANSCE

This report summarizes the neutron imaging techniques and experimental activities performed at the Los Alamos Neutron Science Center (LANSCE) with the main goal of measuring temperature driven hydrogen diffusion within bulk-yttrium hydride (YH x ) materials. The experimental results and technique developments reported herein support the US Department of Energy Office of Nuclear Energy’s (DOE-NE) Microreactor Program under Technology Maturation. In particular, the critical need to experimentally validate and verify hydrogen-diffusion models of metal hydrides used in hightemperature microreactor designs is addressed by means of high-spatial-resolution neutron imaging coupled with custom-built and application-specific furnaces. These capabilities were designed to apply large temperature gradients across centimeter-sized YH x pellets to simulate conditions faced in the microreactor environment. Neutron imaging, combined with in-situ sample heating, enables near real-time tracking of hydrogen diffusion in YH x on the sub-millimeter scale. In this report, an overview of neutron imaging methodology and technologies are given in the context of recent spatial measures of hydrogen concentrations in similar metals hydrides. Additionally, the commissioning and operation of a custom-built compact dual-zone furnace is given along with details on the first two in-situ heating measurements of YH x performed over the 2020 and 2021 LANSCE operation cycles. In parallel with in-situ heating measurements, neutron computed tomography scans were performed to visualize hydrogen aggregates in post-heated YH x samples. Analysis and results from these neutron imaging measurements are given along with outlooks and plans for improving future hydrogen diffusion measurements at LANSCE.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

PV Degradation Modeling: Applying Geospatial Workflows with "PVDeg"

Accurate degradation modeling is essential for predicting photovoltaic (PV) module performance, estimating longevity and informing design decisions. With degradation rates varying significantly by location, geospatial analysis is critical for PV and broader applications, such as agrivoltaics, weathering and environmental data analysis. This work presents PVDeg, an open-source tool designed for geospatial degradation analysis. PVDeg integrates meteorological data from global sources, including the National Solar Radiation Database (NSRDB) and Photovoltaic Geographical Information System (PVGIS), with degradation models. The toolkit enables users to customize geospatial workflows by integrating weather data, material parameters, and user-defined Python functions. It facilitates accelerated downloads of NSRDB and PVGIS datasets and optimizes geospatial point selection to preserve data density in regions of interest. Additionally, PVDeg provides a local database for storage and spatial queries, supporting large-scale analyses without the need for high-performance computing (HPC) resources. PVDeg provides a foundational workflow that extends its utility beyond PV applications, enabling researchers to analyze geospatial processes across discipline.

14 SOLAR ENERGY↗
DOE OSTI2020

Sensitivity of meteorological-forcing resolution on hydrologic variables

Projecting the spatiotemporal changes in water resources under a no-analog future climate requires physically based integrated hydrologic models which simulate the transfer of water and energy across the earth's surface. These models show promise in the context of unprecedented climate extremes given their reliance on the underlying physics of the system as opposed to empirical relationships. However, these techniques are plagued by several sources of uncertainty, including the inaccuracy of input datasets such as meteorological forcing. These datasets, usually derived from climate models or satellite-based products, are typically only resolved on the order of tens to hundreds of kilometers, while hydrologic variables of interest (e.g., discharge and groundwater levels) require a resolution at much smaller scales. In this work, a high-resolution hydrologic model is forced with various resolutions of meteorological forcing (0.5 to 40.5 km) generated by a dynamical downscaling analysis from the regional climate model Weather Research and Forecasting (WRF). The Cosumnes watershed, which spans the Sierra Nevada and Central Valley interface of California (USA), exhibits semi-natural flow conditions due to its rare undammed river basin and is used here as a test bed to illustrate potential impacts of various resolutions of meteorological forcing on snow accumulation and snowmelt, surface runoff, infiltration, evapotranspiration, and groundwater levels. Results show that the errors in spatial distribution patterns impact land surface processes and can be delayed in time. Localized biases in groundwater levels can be as large as 5–10 m and 3 m in surface water. Most hydrologic variables reveal that biases are seasonally and spatially dependent, which can have serious implications for model calibration and ultimately water management decisions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Supporting Information - How Can Crop Production Adapt to growing groundwater restrictions in the West?

Abstract This data plan outlines the structure and content of datasets generated and utilized in the research presented in the manuscript abstract. Groundwater overdraft has led to serious water supply issues in the US West. Most western states manage groundwater use through a permitting system, but California has only recently begun to restrict groundwater use statewide with the 2014 passage of groundwater restrictions which target the elimination of groundwater overdraft practices by 2042. With groundwater extraction curtailed, crop production in the US West (a $95 billion industry annually) will be affected, and appropriate response strategies will be needed to ensure minimal disruption to food production and the regional economy. In this paper, we explore the adoption of alternative adaptive responses: (a) deficit irrigation; (b) switching to less water-intensive crops; (c) changing the extent of irrigated land (including fallowing); and (d) geographically shifting crop production. Employing an integrated modeling approach, we explicitly capture the interactions and feedbacks between local hydrology, changes in crop yields, crop and land use decision-making, changes in crop prices, and regional shifts in crop production. We find that the optimal adaptive response is spatially heterogeneous and comprises a portfolio of strategies. Southwestern states and California will be the most impacted by groundwater restrictions. The optimal responses in these states are to both adopt deficit irrigation strategies and reduce a portion of their irrigated croplands, resulting in a shift in crop production to northwestern states with a larger supply of water. The datasets detailed in this repository represent the output from these integrated models, specifically designed to support the analysis and visualization presented in the manuscript and supplemental information. These datasets, used in conjunction with the scripts available at our associated GitHub repository (https://github.com/pches/Femeena_etal_How_can_crop_production_adapt), enable the reproduction of figures and facilitate a comprehensive understanding of the optimal adaptive strategies in agriculture for mitigating water stress under varying groundwater extraction scenarios, as outlined in the abstract.

DNDCe↗
DOE OSTI2025

Supporting Information - How Can Crop Production Adapt to growing groundwater restrictions in the West?

Abstract This data plan outlines the structure and content of datasets generated and utilized in the research presented in the manuscript abstract. Groundwater overdraft has led to serious water supply issues in the US West. Most western states manage groundwater use through a permitting system, but California has only recently begun to restrict groundwater use statewide with the 2014 passage of groundwater restrictions which target the elimination of groundwater overdraft practices by 2042. With groundwater extraction curtailed, crop production in the US West (a $95 billion industry annually) will be affected, and appropriate response strategies will be needed to ensure minimal disruption to food production and the regional economy. In this paper, we explore the adoption of alternative adaptive responses: (a) deficit irrigation; (b) switching to less water-intensive crops; (c) changing the extent of irrigated land (including fallowing); and (d) geographically shifting crop production. Employing an integrated modeling approach, we explicitly capture the interactions and feedbacks between local hydrology, changes in crop yields, crop and land use decision-making, changes in crop prices, and regional shifts in crop production. We find that the optimal adaptive response is spatially heterogeneous and comprises a portfolio of strategies. Southwestern states and California will be the most impacted by groundwater restrictions. The optimal responses in these states are to both adopt deficit irrigation strategies and reduce a portion of their irrigated croplands, resulting in a shift in crop production to northwestern states with a larger supply of water. The datasets detailed in this repository represent the output from these integrated models, specifically designed to support the analysis and visualization presented in the manuscript and supplemental information. These datasets, used in conjunction with the scripts available at our associated GitHub repository (https://github.com/pches/Femeena_etal_How_can_crop_production_adapt), enable the reproduction of figures and facilitate a comprehensive understanding of the optimal adaptive strategies in agriculture for mitigating water stress under varying groundwater extraction scenarios, as outlined in the abstract.

DNDCe↗
DOE OSTI2025

Supporting Information - How Can Crop Production Adapt to growing groundwater restrictions in the West?

Abstract This data plan outlines the structure and content of datasets generated and utilized in the research presented in the manuscript abstract. Groundwater overdraft has led to serious water supply issues in the US West. Most western states manage groundwater use through a permitting system, but California has only recently begun to restrict groundwater use statewide with the 2014 passage of groundwater restrictions which target the elimination of groundwater overdraft practices by 2042. With groundwater extraction curtailed, crop production in the US West (a $95 billion industry annually) will be affected, and appropriate response strategies will be needed to ensure minimal disruption to food production and the regional economy. In this paper, we explore the adoption of alternative adaptive responses: (a) deficit irrigation; (b) switching to less water-intensive crops; (c) changing the extent of irrigated land (including fallowing); and (d) geographically shifting crop production. Employing an integrated modeling approach, we explicitly capture the interactions and feedbacks between local hydrology, changes in crop yields, crop and land use decision-making, changes in crop prices, and regional shifts in crop production. We find that the optimal adaptive response is spatially heterogeneous and comprises a portfolio of strategies. Southwestern states and California will be the most impacted by groundwater restrictions. The optimal responses in these states are to both adopt deficit irrigation strategies and reduce a portion of their irrigated croplands, resulting in a shift in crop production to northwestern states with a larger supply of water. The datasets detailed in this repository represent the output from these integrated models, specifically designed to support the analysis and visualization presented in the manuscript and supplemental information. These datasets, used in conjunction with the scripts available at our associated GitHub repository (https://github.com/pches/Femeena_etal_How_can_crop_production_adapt), enable the reproduction of figures and facilitate a comprehensive understanding of the optimal adaptive strategies in agriculture for mitigating water stress under varying groundwater extraction scenarios, as outlined in the abstract.

DNDCe↗
DOE OSTI2022

X-ray Computed Tomography of Irradiated and Unirradiated AGR-3/4 Compacts

X-ray Computed Tomography (XCT) has been utilized to image and characterize compacts from the combined third and fourth irradiation of the Advanced Gas Reactor (AGR) Program, AGR-3/4, fuel. The experiment contained tristructural isotropic (TRISO)-coated fuel particles as well as designed-to-fail (DTF) fuel particles. Two irradiated compacts, representing the lower and higher range of AGR-3/4 burnup (4.85% and 14.92% fissions per initial heavy metal atom FIMA) were examined. These represent the first known highly irradiated TRISO fuel compacts to be examined via X-ray CT. Additionally, two unirradiated compacts from the same production batch as the examined irradiation compacts were also imaged for a baseline comparison. As XCT of irradiated TRISO compacts is not a commonly implemented characterization technique, a significant portion of the report focuses on developed methodology and imaging conditions. A specialized sample shielding device was developed and fabricated specifically to limit received dose to staff during sample preparation for XCT and to minimize excess gamma radiation dose to sensitive electronic components with the utilized X-ray system. Significant penetration through the uranium oxycarbide fuel kernels by significantly hardening the X-ray beam with specialized proprietary filters acquired from Carl Zeiss NTS Ltd. The filter utilized resulted in an average X ray photon energy of ~110 keV which approaches uranium’s K-edge (~115 keV), maximizing penetration for a microfocus X-ray source. The gamma-radiation emitted from the irradiated AGR-3/4 TRISO compacts, has the same properties and mechanisms for interaction with matter as X-rays, thus the detection of gamma-radiation by the utilized X-ray detectors was initially a concern. However, although ?-rays did produce an observable signal on the X-ray detector, its contribution to the overall imaging results appeared negligible upon 3D reconstruction. The neglibile impact on the resulting 3D reconstructed volumes were likely the result of: (1) a significantly lower detection efficiency for ?-rays relative to X-rays; (2) An X-ray flux at the detector several orders of magnitude higher than that of the impinging ?-rays from the irradiated compacts. These results suggest that irradiated compacts with significantly higher radiation fields can be examined in the future if an acceptable route for sample handling and preparation can be determined. Additionally, the 3D imaging results of XCT can provide a valuable means of assessing compacts. While in many ways complimentary to traditional post irradiation examination techniques such as optical ceramography, XCT can provide additional insight into compact features traditionally difficult to discern directly from cross-sectional imaging alone. Preliminary analyses on kernel size, morphology (aspect ratio and sphericity), and kernel orientation were presented. Sphericity, a simple morphological shape descriptor, was utilized to screen for kernel extrusions within the high burnup compact. The number of kernel extrusions identified via XCT represented an approximate two-fold increase from the quantity of extruded particles observed (via optical ceramography) in adjacent compacts from the same irradiation capsule. While numerical analysis of the compact datasets was highly preliminary, initial results show promise for providing complimentary metrics to current AGR-3/4 PIE and potentially additional insight into the processes driving TRISO fuel degradation during reactor operation. Additional analyses to be performed at a later date include a more detailed examination of kernel size, kernel sphericity (and observed kernel extrusions), and sphericity. Given all particles can be observed in a single data volume possible correlation of spatial position with observed kernel features will also be made at a later date.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Spatiotemporal analysis of lung immune dynamics in lethal Coccidioides posadasii infection

Coccidioidomycosis, or Valley fever, is a lung disease caused by inhalation of Coccidioides fungi, prevalent in the Southwestern United States, Mexico, and parts of Central and South America. Annually, the United States reports 10,000–20,000 cases, although those numbers are expected to increase as climate change expands the fungal geographic range. While 60% of infections are asymptomatic, 40% symptomatic infections are often misdiagnosed due to similarities with bronchitis or pneumonia. A small subset of infection progress to severe illness, necessitating a better understanding of immune responses during lethal infection. Using single-cell RNA sequencing and spatial transcriptomics, we characterized lung responses during Coccidioides infection. We identified monocyte-derived Spp1-expressing macrophages as potential mediators of tissue remodeling and fibrosis, marked by high expression of profibrotic and proinflammatory transcripts. These macrophages showed elevated TGF-β and IL-6 signaling, pathways involved in fibrosis pathogenesis. Additionally, we observed significant neutrophil infiltration and defective lymphocyte responses, indicating severe adaptive immunity dysregulation in lethal, acute infection. These findings enhance our understanding of Coccidioides infection and suggest new therapeutic targets.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Temperature Mapping analysis of Nitrogen-doped Niobium Radio Frequency Cavity

Nitrogen-doping of niobium superconducting radio-frequency (SRF) cavity has been shown to significantly improve the quality factors as compared to the standard treated niobium cavities. However, the nitrogen-doped cavities generally quench at lower accelerating gradients. To understand the possible sources of rf losses in nitrogen-doped cavities that could reduce the quench field, we used 576 thermometer sensors to map the temperature distribution of the outer cavity surface while increasing the accelerating field. Our measurements have revealed a strong effect of the cavity cooldown rate on the intensity of hot spots and their spatial distribution, indicating a significant contribution from trapped vortices on the RF losses.

Makita, Junki↗
DOE OSTI2022

Pro5 is not essential for the formation of ‘Ni-hook’ in nickel superoxide dismutase

The N-terminus of nickel-dependent superoxide dismutase (NiSOD) forms a structural motif known as the "Ni-hook," where the peptide wraps around the metal to bring cysteine-2 and cysteine-6 into spatial proximity, allowing these residues to coordinate in a cis-geometry. A highly conserved proline-5 residue in the Ni-hook adopts a cis-conformation that is widely considered important for its formation. Herein, we investigate this role by point mutation of Pro5 to alanine. The results obtained show that the variant exhibits wild-type-like redox catalysis and features a Ni(III) center very similar to that found in enzyme. Structural analysis using x-ray absorption spectroscopy of the nickel sites in as-isolated P5A-NiSOD reveals changes in the variant and are consistent with a six-coordinate Ni site with (N/O) 4 S 2 coordination. These changes are attributed to changes in the Ni(II) site structure. Nickel-binding studies using isothermal titration calorimetry reveal two binding events with K d = 25(20) nM, and 250(60) nM. These events are attributed to i) Ni(II) binding to a preformed Ni-hook containing cis-Pro5 and ii) the combination of trans- to cis- isomerization upon Ni(II) binding, respectively. Finally, the higher-affinity binding event is absent in P5A-NiSOD, an observation attributed to the low abundance of the cis-Ala5 isomer in the apo-protein.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Ultrasonic additive manufacturing of zirconium: Pilot results

Ultrasonic additive manufacturing (UAM) was successfully applied to the Zirconium material system to create a three-dimensional component prototype. The UAM process resulted in grain size refinement and significant localized deformation. Electron backscatter diffraction analysis revealed activated slip systems only applicable at high deformation temperatures, while texture analysis showed a decrease in measurable texture of the UAM build in comparison to the initial Zr-foil. Average tensile strengths in the X (sonotrode travel), Y (vibration), and Z (build) directions averaged 435 MPa, 458 MPa, and 359 MPa, respectively, demonstrating the viability of UAM for Zr-based materials. Furthermore, the delamination of some Z specimens along foil boundaries during loading suggests an interplay between interfacial Ti impurities introduced during welding and the spatial dependence of weld quality for this material system.

36 MATERIALS SCIENCE↗
DOE OSTI2020

K 3 Ir 2 O 6 and K 16.3 Ir 8 O 30 , Low-Dimensional Iridates with Infinite IrO 6 Chains

A previously unreported 1D iridate, K 3 Ir 2 O 6 , has been grown by a flux method in O 2 -rich environment and its crystal structure determined via single crystal structural analysis. It exhibits straight chains of face-sharing [IrO 6 ] octahedra, which are arranged along the crystallographic c axis, separated by nonmagnetic K ions. No magnetic transitions are observed during measured range, and the material is electrically insulating. Potentially interesting electronic behavior for K 3 Ir 2 O 6 is supported by electronic structure calculations. A structurally related material, K 16.3 Ir 8 O 30 , which displays similar fundamental geometric units but in a different spatial arrangement – zigzag chains based on edge and face sharing [IrO 6 ] octahedra, is also reported. Both materials are of interest for probing the properties of a 1D system with strong spin-orbit coupling

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Tensor factorization for elucidating mechanisms of piezoresponse relaxation via dynamic Piezoresponse Force Spectroscopy

Spatially resolved time and voltage-dependent polarization dynamics in PbTiO 3 thin films is explored using dynamic piezoresponse force microscopy (D-PFM) in conjunction with interferometric displacement sensing. This approach gives rise to 4D data sets containing information on bias-dependent relaxation dynamics at each spatial location without long-range electrostatic artifacts. To interpret these data sets in the absence of defined physical models, we employ a non-negative tensor factorization method which clearly presents the data as a product of simple behaviors allowing for direct physics interpretation. Correspondingly, we perform phase-field modeling finding the existence of ‘hard’ and ‘soft’ domain wall edges. This approach can be extended to other multidimensional spectroscopies for which even exploratory data analysis leads to unsatisfactory results due to many components in the decomposition.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quasiparticle excitations in a one-dimensional interacting topological insulator: Application for dopant-based quantum simulation

Here, we study the effects of electron-electron interactions on the charge excitation spectrum of the spinful Su-Schrieffer-Heeger (SSH) model, a prototype of a one-dimensional bulk obstructed topological insulator. In view of recent progress in the fabrication of dopant-based quantum simulators we focus on experimentally detectable signatures of interacting topology in finite lattices. To this end we use Lanczos-based exact diagonalization to calculate the single-particle spectral function in real space which generalizes the local density of states to interacting systems. Its spatial and spectral resolution allows for the direct investigation and identification of edge states. By studying the noninteracting limit, we demonstrate that the topological in-gap states on the boundary are robust against both finite-size effects as well as random bond and onsite disorder which suggests the feasibility of simulating the SSH model in engineered dopant arrays in silicon. While edge excitations become zero-energy spinlike for any finite interaction strength, our analysis of the spectral function shows that the single-particle charge excitations are gapped out on the boundary. Despite the loss of topological protection, we find that these edge excitations are quasiparticlelike as long as they remain within the bulk gap. Above a critical interaction strength of U c ≈5t these quasiparticles on the boundary lose their coherence which is explained by the merging of edge and bulk states. This is in contrast to the many-body edge excitations which survive the limit of strong coupling, as established in the literature. Our findings show that for moderate repulsive interactions the nontrivial phase of the interacting SSH model can be detected through remnant signatures of topological single-particle states using single-particle local measurement techniques such as scanning tunneling spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗