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At least 433 records · Page 24

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DOE OSTI2024

Precise micromotion compensation of a tilted ion chain

Excess micromotion can be a substantial source of errors in trapped-ion based quantum processors and clocks due to the sensitivity of the internal states of the ion to external fields and motion. This problem can be fixed by compensating background electric fields in order to position ions at the RF node and minimize their driven micromotion. Here we describe techniques for compensating ion chains in scalable surface ion traps. These traps are capable of cancelling stray electric fields with fine spatial resolution in order to compensate multiple closely spaced ions due to their large number of relatively small control electrodes. We demonstrate a technique that compensates an ion chain to better than 5 V/m and within 0.1 degrees of chain rotation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Satellite Embedding-Based Population Imputation for Areas with Missing Building Footprint Data: A Computer Vision-Based Approach

High-resolution population modeling is important for supporting effective decision-making across diverse sectors. LandScan Mosaic generates population estimates at the level of individual buildings and aggregates them to 3 arc-second grids, and this approach performs well in regions where building footprint data are comprehensive and reliable. However, large portions of the globe still suffer from incomplete, sparse, or entirely missing building stock datasets, creating a structural limitation for strictly building-based population models. To address this research gap, this study proposes a computer vision-based framework that employs Google Earth Engine satellite embeddings and UNet, which allows us to directly impute grid-level population estimates in building-data-deficient areas. Applied to Taiwan as a case study, the framework achieved strong predictive performance with R$^{2}$ of 0.89, RMSE of 18.70, and MAE of 8.41, outperforming traditional machine learning approaches. Notably, the proposed framework effectively addressed building false-positive errors inherent in Global Human Settlement Layer (GHSL) data, correctly identifying uninhabited areas that were erroneously classified as populated. The framework also offers significant advantages for global population mapping, particularly in terms of scalability and temporal consistency, thereby extending the coverage and accuracy of high-resolution population products in data-scarce regions worldwide. Urban planners, decision makers, and related stakeholders can obtain granular population distributions to support more accurate and targeted infrastructure investment, service delivery, resource allocation, and risk assessment decisions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Super‐Resolution Lifetime Imaging of Single Molecules Near Gold Bowtie Nanoparticles

Interactions between light and matter serve as the basis of many technologies, but the quality of these devices is inherently limited by the optical properties of their constituents. Plasmonic nanoparticles are a highly versatile and tunable platform for the enhancement of such optical properties. However, the near-field nature of these effects has made thorough study and understanding of these mechanisms difficult. In this work, we introduce a fully confocal technique combining photoswitching super-resolution microscopy with fluorescence lifetime imaging microscopy to study single-molecule decay rate enhancement. We demonstrate that the technique combines a spatial resolution better than 20 nm, and a 16 ps temporal resolution. Simultaneously, an autocorrelation measurement is also performed to confirm that the data indeed originates from single molecules. This work provides insight into the various mechanisms of plasmon-enhanced emission, and allows the study of the correlation between emission intensity and lifetime enhancement. This complicated relationship is shown to be dependent upon the relative influence of various radiative and nonradiative decay pathways. Here, we provide a platform for further study of emission mislocalization, the position-dependent prominence of different decay pathways, and the direct super-resolved measurement of the local density of states.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Integration of the FastIC front-end electronics into the Picosec MicroMegas detector

The Picosec MicroMegas collaboration aims to develop gaseous fast-timing detectors; experimentally, intrinsic time resolutions from around 50 ps to better than 20 ps are obtained, depending on the exact detector configuration. Parts of developments focus on exploring various options of fast-timing multi-channel front-end electronics, to meet the data processing demands of experimental applications. One option is the FastIC, which was developed for reading out positive and negative input polarity sensors with intrinsic amplification. In this paper, the first results from reading out the gaseous Picosec MicroMegas detector with the FastIC are presented. In laboratory studies, a basic description of the data processing chain was performed using a function generator. The results from test beam measurements are used to characterise the timing performance and the charge processing of the combination of FastIC and Picosec MicroMegas, as well as to demonstrate the possibility of a multi-channel detector readout. Although the timing-at-threshold level of the FastIC introduces a time walk of around 1.5 ns, time resolutions of around 50 ps have been achieved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Understanding Formation of Irradiation-Induced Defects through 4D-STEM, Electron Tomography, and WBDF-STEM

A major challenge in advancing nuclear materials for next-generation fission and proposed fusion reactors is to comprehensively understand the formation of irradiation-induced defects. Here it is essential to correlate the evolution of irradiation-induced defects and the degradation of mechanical properties, as they collectively dictate the material's lifespan and ensure nuclear safety. Scanning transmission electron microscopy (STEM) based techniques have emerged as indispensable tools for irradiation-induced defect characterization, offering high spatial resolution imaging and chemical analysis, such as electron energy loss spectroscopy (EELS) and energy dispersive X-ray spectroscopy (EDXS). These techniques have been effectively used to obtain an atomic-scale view of the defect structure. Recent advances in electron microscopy, particularly in 4D-STEM, offer detailed insight into microstructural evolution by capturing full 2D diffraction patterns at every pixel position. Using high-speed direct electron detectors, this technology generates a four-dimensional dataset, overcoming the limitations of traditional STEM imaging.

36 MATERIALS SCIENCE↗

DOE OSTI2020

IMAGINE: The neutron protein crystallography beamline at the high flux isotope reactor

IMAGINE is a high intensity, quasi-Laue neutron crystallography beamline developed at the 85 MW High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). This state-of-the-art facility for neutron-diffraction enables neutron protein structures to be determined at or near atomic resolutions from crystals with volumes of < 1 mm 3 and unit cell edges of < 150 Å. The beamline features include elliptical focusing mirrors that deliver neutrons into a 2.0 × 3.2 mm 2 focal spot at the sample position, and variable short and long wavelength cutoff optics that provide automated exchange between multiple wavelength configurations. The beamline is equipped with a single-axis goniometer, neutron-sensitive cylindrical image plate detector and room temperature and cryogenic sample environments. This article describes the beamline components, the diffractometer and the data collection and data analysis protocols that are used, and outlines the protein deuteration, crystallization and conventional crystallography capabilities that are available to users at ORNL's neutron facilities. We also present examples of the scientific questions being addressed at this beamline and highlight important findings in enzyme chemistry that have been made possible by IMAGINE.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

A versatile high-speed x-ray microscope for sub-10 nm imaging

We have developed a next-generation scanning x-ray microscope RASMI (RApid Scanning Microscopy Instrument) for high-throughput tomographic imaging. RASMI is installed at the hard x-ray nanoprobe beamline at NSLS-II and is capable of manipulating 1D multilayer Laue lenses (MLLs) and 2D optics (both zone plates and monolithically assembled 2D MLLs). The sample scanning stage utilizes line-focusing interferometry as an encoder while performing fly-scanning data acquisition. The system can be configured for both position- and time-triggering modes during fly-scanning. The microscope demonstrated a detector-limited data acquisition rate of 1.25 kHz during ptychography measurements. The initial x-ray results yielded a sample-limited resolution of ∼6 nm in 2D. RASMI can be adopted for in-vacuum applications and is a foundation for the next-generation scanning microscopy systems to be developed and commissioned at NSLS-II.

36 MATERIALS SCIENCE↗

DOE OSTI2022

β decay of Ba 141

The β-decay strength function of nuclides produced in fission is important as it dictates the distribution of decay energy between electrons, neutrinos, and γ rays and so is critical for calculating decay heat in reactors and for estimating the reactor antineutrino spectrum. Several experimental techniques are available to determine this strength function, including electron spectroscopy, γ-ray calorimetry (TAGS spectroscopy), and detailed, high-resolution spectroscopy with modern large high-purity germanium arrays. This work investigates the decay of the well-known and strongly produced fission fragment 141 Ba. A beam of 141 Cs was implanted at the target position of the Gammasphere and the subsequent decay of the daughter 141 Ba was studied. Extensive decay spectroscopy was possible up to the decay Q value of 3.197(7) MeV, including a significant extension of the level scheme and detailed angular correlation measurements for all levels with greater than 0.25% β feeding. The distribution of the β-decay strength was then inferred and compared to previous calorimetric studies. In conclusion, the agreement was excellent and provides a benchmark for comparing strength function methods and data for a more detailed understanding of the structure of 141 La.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Ptychographic X-ray speckle tracking with multi-layer Laue lens systems

The ever-increasing brightness of synchrotron radiation sources demands improved X-ray optics to utilize their capability for imaging and probing biological cells, nano-devices and functional matter on the nanometre scale with chemical sensitivity. Hard X-rays are ideal for high-resolution imaging and spectroscopic applications owing to their short wavelength, high penetrating power and chemical sensitivity. The penetrating power that makes X-rays useful for imaging also makes focusing them technologically challenging. Recent developments in layer deposition techniques have enabled the fabrication of a series of highly focusing X-ray lenses, known as wedged multi-layer Laue lenses. Improvements to the lens design and fabrication technique demand an accurate, robust, in situ and at-wavelength characterization method. To this end, a modified form of the speckle tracking wavefront metrology method has been developed. The ptychographic X-ray speckle tracking method is capable of operating with highly divergent wavefields. A useful by-product of this method is that it also provides high-resolution and aberration-free projection images of extended specimens. Three separate experiments using this method are reported, where the ray path angles have been resolved to within 4 nrad with an imaging resolution of 45 nm (full period). This method does not require a high degree of coherence, making it suitable for laboratory-based X-ray sources. Likewise, it is robust to errors in the registered sample positions, making it suitable for X-ray free-electron laser facilities, where beam-pointing fluctuations can be problematic for wavefront metrology.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Breast Cancer Imaging and Characterization

Researchers at Los Alamos National Laboratory are developing a suite of ultrasound-waveform tomography and super-resolution ultrasound imaging technology that, while investigational at this time, may be able to provide significantly improved image resolution and characterization of early-stage cancers in a non-invasive and cost-effective manner. Breast cancer is the most frequently diagnosed cancer in U.S. women. Although current medical imaging technologies have improved, false positive rates for mammograms still range 50-60% after 10 yearly mammograms. This innovative ultrasound-imaging technology is patented and copyright protected. It has great potential to differentiate between cancerous and healthy tissue without the negative side effects of mammography. We are seeking a commercialization partner to license these technologies or participate in a Cooperative Research and Development Agreement (CRADA) to further develop a practical suite of products for commercial purposes, and where applicable seek any necessary FDA authorization of the technology.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Assessing individual movement, habitat use, and behavior of non-breeding marine birds in relation to prey availability in the US Atlantic

Resource availability is a key factor driving marine bird movements and distributions, but direct information on prey availability is difficult to obtain at relevant scales. We present novel methods for describing multi-scale trophic associations, combining movement analyses of marine birds with estimates of forage fish surface aggregations from digital aerial survey data and species occupancy from bottom trawl survey data. We analyzed satellite telemetry data from northern gannets Morus bassanus , red-throated loons Gavia stellata , and long-tailed ducks Clangula hyemalis in the US Atlantic during the non-breeding period. Using discrete-time hidden Markov models to distinguish area-restricted (i.e. putative foraging) from transit movements, we examined how environmental factors influence movement, and how forage fish species distributions and surface aggregations influence habitat use by gannets and loons that have greater dietary reliance. Our results suggest that chlorophyll a concentration significantly affected movement behavior across species, highlighting the importance of higher-productivity areas around estuaries during colder months when regional productivity is low. Though variable across species and seasons, spatial cross-correlation analysis revealed that herring species (Family Clupeidae), including Atlantic menhaden Brevoortia tyrannus , may be important resources; it also showed positive spatial correlations with forage fish aggregations. This suggests that prey patch dynamics and factors driving aggregation formation may be as important as species composition. However, spatial patterns were generally low (<0.3), suggesting a mismatch in spatiotemporal resolution, exemplifying the challenges in quantifying trophic relationships in marine systems. Disentangling predator-prey relationships is critical to understanding the mechanisms driving marine bird behavior in rapidly changing marine systems.

Environmental Sciences & Ecology↗

DOE OSTI2022

Exploring ENSO-Induced Anomalies over North America in Historical and Future Climate Simulations That Use HadGEM2-ESM Output to Drive WRF

Projected changes to the El Niño Southern Oscillation (ENSO) climate mode have been explored using global Earth system models (ESMs). Regional expressions of such changes have yet to be fully advanced and may require the use of regional downscaling. Here, we employ regional climate modeling (RCM) using the Weather Research and Forecasting (WRF) model at convection-permitting resolution and nested in output from the HadGEM2 ESM. We quantify ENSO teleconnections to temperature and precipitation anomalies in historical and future climate scenarios over eastern North America. Two paired simulations are run, a strong El Niño (positive ENSO phase) and a weak La Niña (negative ENSO phase), for the historical and future years. The HadGEM2 direct output and HadGEM2-WRF simulation output are compared to the anomalies derived from the NOAA ENSO Climate Normals dataset. The near-surface temperature and precipitation differences by ENSO phase, as represented by the HadGEM2-WRF historical simulations, show a poor degree of association with the NOAA ENSO Climate Normals, in part because of the large biases in the HadGEM2 model. Downscaling with the WRF model does improve the agreement with the observations, and large discrepancies remain. The model chain HadGEM2-WRF reverses the sign of the ENSO phase response over eastern North America under simulations of the future climate with high greenhouse gas forcing, but due to the poor agreement with the NOAA ENSO Climate Normals it is difficult to assign confidence to this prediction.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Source apportionment of soot particles and aqueous-phase processing of black carbon coatings in an urban environment

Abstract. The impacts of soot particles on climate and human health depend on the concentration of black carbon (BC) as well as the thickness and composition of the coating material, i.e., organic and inorganic compounds internally mixed with BC. In this study, the size-resolved chemical composition of BC-containing aerosol was measured using a high-resolution soot particle aerosol mass spectrometer (SP-AMS) during wintertime in Fresno, California, a location influenced by abundant combustion emissions and frequent fog events. Concurrently, particle optical properties were measured to investigate the BC absorption enhancement. Positive matrix factorization (PMF) analysis was performed on the SP-AMS mass spectral measurements to explore the sources of soot particles and the atmospheric processes affecting the properties of BC coatings. The analysis revealed that residential woodburning and traffic are the dominant sources of soot particles. Alongside primary soot particles originating from biomass burning (BBOABC) and vehicles (HOABC) two distinct types of processed BC-containing aerosol were identified: fog-related oxidized organic aerosol (FOOABC) and winter-background OOABC (WOOABC). Both types of OOABC showed evidence of having undergone aqueous processing, albeit with differences. The concentration of FOOABC was substantially elevated during fog events, indicating the formation of aqueous secondary organic aerosol (aqSOA) within fog droplets. On the other hand, WOOABC was present at a relatively consistent concentration throughout the winter and was likely related to the formation of secondary organic aerosol (SOA) in both the gas phase and aerosol liquid water. By comparing the chemical properties and temporal variations in FOOABC and WOOABC, we gain insights into the key aging processes of BC aerosol. It was found that aqueous-phase reactions facilitated by fog droplets had a significant impact on the thickness and chemical composition of BC coatings, thereby affecting the light absorption and hygroscopic properties of soot particles. These findings underscore the important role of chemical reactions occurring within clouds and fogs and influencing the climate forcing of BC aerosol in the atmosphere.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Probabilistic estimation of depth-resolved profiles of soil thermal diffusivity from temperature time series

Abstract. Improving the quantification of soil thermal and physical properties is key to achieving a better understanding and prediction of soil hydro-biogeochemical processes and their responses to changes in atmospheric forcing. Obtaining such information at numerous locations and/or over time with conventional soil sampling is challenging. The increasing availability of low-cost, vertically resolved temperature sensor arrays offers promise for improving the estimation of soil thermal properties from temperature time series, and the possible indirect estimation of physical properties. Still, the reliability and limitations of such an approach need to be assessed. In the present study, we develop a parameter estimation approach based on a combination of thermal modeling, sliding time windows, Bayesian inference, and Markov chain Monte Carlo simulation to estimate thermal diffusivity and its uncertainty over time, at numerous locations and at an unprecedented vertical spatial resolution (i.e., down to 5 to 10 cm vertical resolution) from soil temperature time series. We provide the necessary framework to assess under which environmental conditions (soil temperature gradient, fluctuations, and trend), temperature sensor characteristics (bias and level of noise), and deployment geometries (sensor number and position) soil thermal diffusivity can be reliably inferred. We validate the method with synthetic experiments and field studies. The synthetic experiments show that in the presence of median diurnal fluctuations ≥ 1.5 ∘C at 5 cm below the ground surface, temperature gradients > 2 ∘C m−1, and a sliding time window of at least 4 d the proposed method provides reliable depth-resolved thermal diffusivity estimates with percentage errors ≤ 10 % and posterior relative standard deviations ≤ 5 % up to 1 m depth. Reliable thermal diffusivity under such environmental conditions also requires temperature sensors to be spaced precisely (with accuracy to a few millimeters), with a level of noise ≤ 0.02 ∘C, and with a bias defined by a standard deviation ≤ 0.01 ∘C. Finally, the application of the developed approach to field data indicates significant repeatability in results and similarity with independent measurements, as well as promise in using a sliding time window to estimate temporal changes in soil thermal diffusivity, as needed to potentially capture changes in bulk density or water content.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

The use of gas chromatography – high resolution mass spectrometry for suspect screening and non-targeted analysis of per- and polyfluoroalkyl substances

This study is a workflow development for the analysis, identification, and categorization of per- and polyfluoroalkyl substances (PFAS) using gas chromatography-high resolution mass spectrometry (GC-HRMS) with non-targeted analysis (NTA) and suspect screening techniques. The behavior of various PFAS in a GC-HRMS was studied with regards to retention indices, ionization susceptibility, fragmentation patterns, etc. A custom PFAS database was constructed from 141 diverse PFAS. The database contains mass spectra from electron ionization (EI) mode, as well as MS and MS/MS spectra from positive and negative chemical ionization (PCI and NCI, respectively) modes. Common fragments of PFAS were identified across a diverse set of 141 PFAS analyzed. A workflow for suspect screening of PFAS and partially fluorinated products of incomplete combustion/destruction (PICs/PIDs) was developed which utilized both the custom PFAS database and external databases. PFAS and other fluorinated compounds were identified in both a challenge sample (designed to test the identification workflow) and incineration samples suspected to contain PFAS and fluorinated PICs/PIDs. The challenge sample resulted in a 100% true positive rate (TPR) for PFAS which were present in the custom PFAS database. In conclusion, several fluorinated species were tentatively identified in the incineration samples using the developed workflow.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

High-resolution mapping reveals hotspots and sex-biased recombination in Populus trichocarpa

Abstract Fine-scale meiotic recombination is fundamental to the outcome of natural and artificial selection. Here, dense genetic mapping and haplotype reconstruction were used to estimate recombination for a full factorial Populus trichocarpa cross of 7 males and 7 females. Genomes of the resulting 49 full-sib families (N = 829 offspring) were resequenced, and high-fidelity biallelic SNP/INDELs and pedigree information were used to ascertain allelic phase and impute progeny genotypes to recover gametic haplotypes. The 14 parental genetic maps contained 1,820 SNP/INDELs on average that covered 376.7 Mb of physical length across 19 chromosomes. Comparison of parental and progeny haplotypes allowed fine-scale demarcation of cross-over regions, where 38,846 cross-over events in 1,658 gametes were observed. Cross-over events were positively associated with gene density and negatively associated with GC content and long-terminal repeats. One of the most striking findings was higher rates of cross-overs in males in 8 out of 19 chromosomes. Regions with elevated male cross-over rates had lower gene density and GC content than windows showing no sex bias. High-resolution analysis identified 67 candidate cross-over hotspots spread throughout the genome. DNA sequence motifs enriched in these regions showed striking similarity to those of maize, Arabidopsis, and wheat. These findings, and recombination estimates, will be useful for ongoing efforts to accelerate domestication of this and other biomass feedstocks, as well as future studies investigating broader questions related to evolutionary history, perennial development, phenology, wood formation, vegetative propagation, and dioecy that cannot be studied using annual plant model systems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

In Operando Angle‐Resolved Photoemission Spectroscopy with Nanoscale Spatial Resolution: Spatial Mapping of the Electronic Structure of Twisted Bilayer Graphene

To pinpoint the electronic and structural mechanisms that affect intrinsic and extrinsic performance limits of 2D material devices, it is of critical importance to resolve the electronic properties on the mesoscopic length scale of such devices under operating conditions. Herein, angle‐resolved photoemission spectroscopy with nanoscale spatial resolution (nanoARPES) is used to map the quasiparticle electronic structure of a twisted bilayer graphene device. The dispersion and linewidth of the Dirac cones associated with top and bottom graphene layers are determined as a function of spatial position on the device under both static and operating conditions. The analysis reveals that microscopic rotational domains in the two graphene layers establish a range of twist angles from 9.8° to 12.7°. Application of current and electrostatic gating lead to strong electric fields with peak strengths of 0.75 V/μm at the rotational domain boundaries in the device. These proof‐of‐principle results demonstrate the potential of nanoARPES to link mesoscale structural variations with electronic states in operating device conditions and to disentangle such extrinsic factors from the intrinsic quasiparticle dispersion.

Majchrzak, Paulina↗

DOE OSTI2020

Temperature Trends in the Northwestern Tibetan Plateau Constrained by Ice Core Water Isotopes Over the Past 7,000 Years

Abstract The reasons for the Holocene temperature conundrum, known as the inconsistency between the reconstructed cooling and the inferred warming simulations during the Holocene, remain unclear. Temperature reconstructions from the Tibetan Plateau (TP) provide important insights for understanding the Holocene temperature conundrum due to enhanced sensitivity to climate at high altitudes. Given the significant positive correlation between air temperature and δ 18 O in precipitation over the northern TP, the stable isotopic records of ice cores recovered from this area are widely used for paleotemperature reconstruction. Here we present a new high‐resolution δ 18 O record from the Chongce ice cores to bedrock, dated back to 7 ka BP by the accelerator mass spectrometry (AMS) 14 C dating technique. Our reconstructed temperature record shows a long‐term warming trend until ~2 ka BP, followed by an abrupt change to a relatively cool period until the start of the industrial‐era warming. This record challenges the widely recognized Holocene reconstruction from the neighboring Guliya ice core. It is also different from many previous temperature reconstructions, most of which have summer biases and show a long‐term cooling trend over the past two millennia. In addition, our record shows that temperatures during the recent decades are almost the highest during the past 7 ka BP, highlighting the unusual warming forced by anthropogenic greenhouse gases.

Pang, Hongxi↗