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DOE OSTI2017

Fractal analysis of collision cascades in pulsed-ion-beam-irradiated solids [Collision cascade densities in ion pulsed ion irradiated solids { a fractal approach]

The buildup of radiation damage in ion-irradiated crystals often depends on the spatial distribution of atomic displacements within collision cascades. Although collision cascades have previously been described as fractals, the correlation of their fractal parameters with experimental observations of radiation damage buildup remains elusive. Here, we use a pulsed-ion-beam method to study defect interaction dynamics in 3C-SiC irradiated at 100 °C with ions of different masses. These data, together with results of previous studies of SiC and Si, are analyzed with a model of radiation damage formation which accounts for the fractal nature of collision cascades. Our emphasis is on the extraction of the effective defect diffusion length from pulsed beam measurements. Results show that, for both Si and SiC, collision cascades are mass fractals with fractal dimensions in the range of ~1–2, depending on ion mass, energy, and the depth from the sample surface. Within our fractal model, the effective defect diffusion length is ~10 nm for SiC and ~20 nm for Si, and it decreases with increasing cascade density. These results demonstrate a general method by which the fractal nature of collision cascades can be used to explain experimental observations and predict material’s response to radiation.

36 MATERIALS SCIENCE↗

DOE OSTI2012

High-resolution and site-specific scanning spreading resistance microscopy and its applications to silicon devices

Due to the continuous reduction of the critical dimensions of semiconductor devices, it becomes very important to know the two dimensional (2D) doping profile for improving device performance. Scanning spreading resistance microscopy (SSRM) performed in high vacuum is a powerful technique for quantitative 2D-doping profiling, with high spatial resolution and wide dynamic range of carrier concentration, as well as capability of site-specific analysis for accurate position. In this paper, we review SSRM applications to source/drain engineering in Si devices and their correlation with device characteristics by demonstrating several case studies. Direct observation of (110)/(100) CMOSFETs clarified significant differences between both pFETs and nFETs on (110) and (100) silicon substrates, revealing 2D channeling effect of boron ion implantation in pFETs; as well as silicidation impact on junction leakage-current characteristics in nFETs. Furthermore, our sample-preparation breakthrough enables site-specific SSRM characterization within 60 nm ultra thin samples and therefore failure analysis of real SRAM devices, demonstrating the high potential of SSRM technology for further device scaling and for failure analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Electrical spin injection in 2D semiconductors and topological insulators

We have developed a theory of spin orientation by electric current in 2D semiconductors. It is shown that the spin depends on the relation between the energy and spin relaxation times and can vary by a factor of two for the limiting cases of fast and slow energy relaxation. For symmetrically-doped (110)-grown semiconductor quantum wells the effect of current-induced spin orientation is shown to exist due to random spatial variation of the Rashba spin-orbit splitting. We demonstrate that the spin depends strongly on the correlation length of this random spin-orbit field. We calculate the spin orientation degree in two-dimensional topological insulators. In high electric fields when the “streaming” regime is realized, the spin orientation degree weakly depends on the electric field and can reach values about 5%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Invariants in the Yukawa system's thermodynamic phase diagram

This paper shows that several known properties of the Yukawa system can be derived from the isomorph theory, which applies to any system that has strong correlations between its virial and potential-energy equilibrium fluctuations. Such “Roskilde-simple” systems have a simplified thermodynamic phase diagram deriving from the fact that they have curves (isomorphs) along which structure and dynamics in reduced units are invariant to a good approximation. We show that the Yukawa system has strong virial potential-energy correlations and identify its isomorphs by two different methods. One method, the so-called direct isomorph check, identifies isomorphs numerically from jumps of relatively small density changes (here 10%). The second method identifies isomorphs analytically from the pair potential. The curves obtained by the two methods are close to each other; these curves are confirmed to be isomorphs by demonstrating the invariance of the radial distribution function, the static structure factor, the mean-square displacement as a function of time, and the incoherent intermediate scattering function. Since the melting line is predicted to be an isomorph, the theory provides a derivation of a known approximate analytical expression for this line in the temperature-density phase diagram. The paper's results give the first demonstration that the isomorph theory can be applied to systems like dense colloidal suspensions and strongly coupled dusty plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Spatiotemporal measurements of striations in a glow discharge’s positive column using laser-collisional induced fluorescence

Here we have observed the behavior of striations caused by ionization waves propagating in low-pressure helium DC discharges using the non-invasive laser-collision induced fluorescence (LCIF) diagnostic. To achieve this, we developed an analytic fit of collisional radiative model (CRM) predictions to interpret the LCIF data and recover quantitative two-dimensional spatial maps of the electron density, n e , and the ratios of LCIF emission states that can be correlated with T e with the use of accurate distribution functions at localized positions within striated helium discharges at 500 mTorr, 750 mTorr, and 1 Torr. To our knowledge, these are the first spatiotemporal, laser-based, experimental measurements of n e in DC striations. The n e and 447:588 ratio distributions align closely with striation theory. Constriction of the positive column appears to occur with decreased gas pressure, as shown by the radial n e distribution. We identify a transition from a slow ionization wave to a fast ionization wave between 750 mTorr and 1 Torr. These experiments validate our analytic fit of n e , allowing the implementation of an LCIF diagnostic in helium without the need to develop a CRM.

42 ENGINEERING↗

DOE OSTI2011

RADIO GALAXY 3C 230 OBSERVED WITH GEMINI LASER ADAPTIVE-OPTICS INTEGRAL-FIELD SPECTROSCOPY

The Altair laser-guide-star adaptive optics facility combined with the near-infrared integral-field spectrometer on Gemini North have been employed to study the morphology and kinematics of 3C 230 at z = 1.5, the first such observations of a high-redshift radio galaxy. These suggest a bi-polar outflow spanning 0.''9 ({approx}16 kpc projected distance for a standard {Lambda} CDM cosmology) reaching a mean relative velocity of 235 km s{sup -1} in redshifted H{alpha} +[N II] and [S II] emission. Structure is resolved to 0.''1 (0.8 kpc), which is well correlated with optical images from the Hubble Space Telescope and Very Large Array radio maps obtained at similar spatial resolution. Line diagnostics suggest that over the 10{sup 7} yr to 10{sup 8} yr duration of its active galactic nucleus activity, gas has been ejected into bright turbulent lobes at rates comparable to star formation, although constituting perhaps only 1% of the baryonic mass in the galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

REDSHIFT 6.4 HOST GALAXIES OF 10{sup 8} SOLAR MASS BLACK HOLES: LOW STAR FORMATION RATE AND DYNAMICAL MASS

We present Atacama Large Millimeter Array observations of rest-frame far-infrared continuum and [C II] line emission in two z = 6.4 quasars with black hole masses of Almost-Equal-To 10{sup 8} M{sub Sun }. CFHQS J0210-0456 is detected in the continuum with a 1.2 mm flux of 120 {+-} 35 {mu}Jy, whereas CFHQS J2329-0301 is undetected at a similar noise level. J2329-0301 has a star formation rate limit of <40 M{sub Sun} yr{sup -1}, considerably below the typical value at all redshifts for this bolometric luminosity. Through comparison with hydro simulations, we speculate that this quasar is observed at a relatively rare phase where quasar feedback has effectively shut down star formation in the host galaxy. [C II] emission is also detected only in J0210-0456. The ratio of [C II] to far-infrared luminosity is similar to that of low-redshift galaxies of comparable luminosity, suggesting that the previous finding of an offset in the relationships between this ratio and far-infrared luminosity at low and high redshifts may be partially due to a selection effect due to the limited sensitivity of previous continuum data. The [C II] line of J0210-0456 is relatively narrow (FWHM = 189 {+-} 18 km s{sup -1}), indicating a dynamical mass substantially lower than expected from the local black hole-velocity dispersion correlation. The [C II] line is marginally resolved at 0.''7 resolution with the blue and red wings spatially offset by 0.''5 (3 kpc) and a smooth velocity gradient of 100 km s{sup -1} across a scale of 6 kpc, possibly due to the rotation of a galaxy-wide disk. These observations are consistent with the idea that stellar mass growth lags black hole accretion for quasars at this epoch with respect to more recent times.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Solving the excitation and chemical abundances in shocks: The case of HH 1

We present deep spectroscopic (3600–24700 Å ) X-shooter observations of the bright Herbig–Haro object HH 1, one of the best laboratories to study the chemical and physical modifications caused by protostellar shocks on the natal cloud. We observe atomic fine structure lines, H i and He i recombination lines and H{sub 2} ro-vibrational lines (more than 500 detections in total). Line emission was analyzed by means of Non-local Thermal Equilibiurm codes to derive the electron temperature and density, and for the first time we are able to accurately probe different physical regimes behind a dissociative shock. We find a temperature stratification in the range 4000 K ÷ 80,000 K, and a significant correlation between temperature and ionization energy. Two density regimes are identified for the ionized gas, a more tenuous, spatially broad component (density ∼10{sup 3} cm{sup −3}), and a more compact component (density ⩾ 10{sup 5} cm{sup −3}) likely associated with the hottest gas. A further neutral component is also evidenced, having a temperature ≲10,000 K and a density >10{sup 4} cm{sup −3}. The gas fractional ionization was estimated by solving the ionization equilibrium equations of atoms detected in different ionization stages. We find that neutral and fully ionized regions co-exist inside the shock. Also, indications in favor of at least partially dissociative shock as the main mechanism for molecular excitation are derived. Chemical abundances are estimated for the majority of the detected species. On average, abundances of non-refractory/refractory elements are lower than solar of about 0.15/0.5 dex. This indicates the presence of dust inside the medium, with a depletion factor of iron of ∼40%.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Simultaneous 3D MR elastography of the in vivo mouse brain

The feasibility of sample interval modulation (SLIM) magnetic resonance elastography (MRE) for the in vivo mouse brain is assessed, and an alternative SLIM-MRE encoding method is introduced. In SLIMMRE, the phase accumulation for each motion direction is encoded simultaneously by varying either the start time of the motion encoding gradient (MEG), SLIM-phase constant (SLIM-PC), or the initial phase of the MEG, SLIM-phase varying (SLIM-PV). SLIM-PC provides gradient moment nulling, but the mutual gradient shift necessitates increased echo time (TE). SLIM-PV requires no increased TE, but exhibits nonuniform flow compensation. Comparison was to conventional MRE using six C57BL/6 mice. For SLIMPC, the Spearman’s rank correlation to conventional MRE for the shear storage and loss modulus images were 80% and 76%, respectively, and likewise for SLIM-PV, 73% and 69%, respectively. The results of the Wilcoxon rank sum test showed that there were no statistically significant differences between the spatially averaged shear moduli derived from conventional-MRE, SLIM-PC, and SLIM-PV acquisitions. Both SLIM approaches were comparable to conventional MRE scans with Spearman’s rank correlation of 69%-80% and with 3 times reduction in scan time. As a result, the SLIM-PC method had the best correlation, and SLIM-PV may be a useful tool in experimental conditions, where both measurement time and T2 relaxation is critical.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Conformal maps of viscous electron flow in the Gurzhi crossover

Herein we investigate the impact of geometric constriction on the viscous flow of electron liquid through quantum point contacts. We provide analysis on the electric potential distribution given the setup of a slit configuration and use the method of conformal mapping to obtain analytical results. The potential profile can be tested and contrasted experimentally with the scanning tunneling potentiometry technique. We discuss intricate physics that underlies the Gurzhi effect, i.e., the enhancement of conductivity in the viscous flow, and compare results for different boundary conditions. In addition, we calculate the temperature dependence of the momentum relaxation time as a result of impurity assisted quasiballistic interference effects and discuss various correlational corrections that lead to the violation of Matthiessen's rule in the hydrodynamic regime. We caution that spatially inhomogeneous profiles of current in the Gurzhi crossover between Ohmic and Stokes flows might also appear in the nonhydrodynamic limit where nonlocality plays an important role. This conclusion is corroborated by calculation of dispersive conductivity in the weakly impure limit.

2-dimensional systems↗

DOE OSTI2021

Simultaneous velocity and density measurements of fully developed Rayleigh-Taylor mixing

Here, the dynamics of molecular mixing and the energy transfer process in the Rayleigh-Taylor instability (RTI) are studied through the collection of simultaneous density-velocity measurements. These experiments provide simultaneous density-velocity field measurements, in contrast to previous point measurements. Statistically stationary experiments are performed in a “convective-type” gas tunnel facility, with density contrast achieved through the injection of helium into the bottom stream. Three experiments at Atwood number ≈ 0.1 are captured at three outer scale Reynolds numbers Re = 520, 2260, and 4050. Particle image velocimetry and laser induced fluorescence are employed simultaneously. Statistics of the density and velocity show self-similar collapse of RTI profiles at large Reynolds number Re >2000. Flat velocity profiles indicate homogeneous turbulence characteristics in the core of the mixing region. Significant anisotropy develops in the flow, with horizontal velocity fluctuations being only 60% of the vertical velocity fluctuations. The turbulent mass flux is found to be asymmetric about the centerline, with increased peak towards the spike. Measurements of the molecular mixing show that mixing is maximized at the core of the flow and increases with increased Reynolds number. The transport equation of density-specific-volume correlation b shows that it is mostly produced in the core of the mixing region, and that the spatial evolution of its profile is the result of transport by bulk motion of the bubble and spike. Energy transfer from gravitational potential energy to turbulent kinetic energy and viscous dissipation is observed to occur in the experiment with a ratio of dissipated energy to potential energy released of 38%. The analysis of the turbulent kinetic energy transport equation budget reveals that production is the primary mechanism towards the growth of turbulent kinetic energy in the core of the flow, and is asymmetrically slightly skewed towards the spike. However, it is through the transport that the strong advection at the edges of the mixing region is maintained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Plating and Stripping of Lithium Metal Stabilized by a Block Copolymer Electrolyte: Local Current Density Measurement and Modeling

Here, plating and stripping of lithium protrusions in lithium metal symmetric cells containing a solid block copolymer electrolyte was studied as a function of time in 3D using time-resolved X-ray tomography. These measurements enabled determination of the spatial variation in current densities at the plating and stripping electrodes. The initial interelectrode distance was 27 μm. Correlation functions were calculated to reveal the relationships between current densities at the two electrodes and local electrolyte thickness. Current densities at opposing electrode locations during protrusion growth is uncorrelated until the local interelectrode distance decreases to less than 6 μm, just before the cell shorts. Mass balance was used to determine the area from which lithium ions that form a protrusion were stripped. Computational modeling of the plating and stripping process reveals the interplay between electrochemical and mechanical driving forces and their effect on nonuniform current distribution. Model predictions were compared with experiments without resorting to any adjustable parameters. The computed correlation functions were in qualitative agreement with experiments. Finally, the model was used to calculate contour plots of electrochemical potential within the electrolyte, shedding light on how geometry, salt concentration, interelectrode distance, and mechanical stress influence local rates of electrochemical reaction.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Quantitative phenotyping of crop roots with spectral electrical impedance tomography: a rhizotron study with optimized measurement design

Background: Root systems are key contributors to plant health, resilience, and, ultimately, yield of agricultural crops. To optimize plant performance, phenotyping trials are conducted to breed plants with diverse root traits. However, traditional analysis methods are often labour-intensive and invasive to the root system, therefore limiting high-throughput phenotyping. Spectral electrical impedance tomography (sEIT) could help as a non-invasive and cost-efficient alternative to optical root analysis, potentially providing 2D or 3D spatio-temporal information on root development and activity. Although impedance measurements have been shown to be sensitive to root biomass, nutrient status, and diurnal activity, only few attempts have been made to employ tomographic algorithms to recover spatially resolved information on root systems. In this study, we aim to establish relationships between tomographic electrical polarization signatures and root traits of different fine root systems (maize, pinto bean, black bean, and soy bean) under hydroponic conditions. Results: Our results show that, with the use of an optimized data acquisition scheme, sEIT is capable of providing spatially resolved information on root biomass and root surface area for all investigated root systems. We found strong correlations between the total polarization strength and the root biomass (R 2 = 0.82) and root surface area (R 2 = 0.8). Our findings suggest that the captured polarization signature is dominated by cell-scale polarization processes. Additionally, we demonstrate that the resolution characteristics of the measurement scheme can have a significant impact on the tomographic reconstruction of root traits. Conclusion: Our findings showcase that sEIT is a promising tool for the tomographic reconstruction of root traits in high-throughput root phenotyping trials and should be evaluated as a substitute for traditional, often time-consuming, root characterization methods.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Machine-Learning-Based Mapping and Modeling of Solar Energy with Ultra-High Spatiotemporal Granularity

Despite the rapid growth of solar energy, we still lack a dynamic, high-fidelity database that tracks the spatiotemporal variations of solar PVs and their associated infrastructures across different places at a spatially resolved scale. The absence of such data presents a barrier to various applications such as solar PV growth projection, solar energy integration, solar incentive design, and climate risk assessment. In this project, we aim to bridge this gap by developing AI-based algorithms to extract granular information about solar PV installations and their associated infrastructures (i.e., distribution grids) from widely available unstructured data like remote sensing images and street views. As a result, we have built the Solar Energy Atlas, a fine-grained, large-scale geospatial overlay of distributed solar PVs and distribution grids. On top of it, we have advanced the understanding of solar adoption and distribution grid vulnerability to climate-induced extremes. Our major contributions can be summarized as follow: (1) By developing new AI algorithms, we have built the most comprehensive solar PV spatiotemporal database covering the entire US. This is the first time we obtained the exact GPS locations, size, subtype, and installation year information for rooftop solar PVs across the US. This database can be used for solar PV growth projection, solar energy integration, solar energy policy analysis and design, and spatially-resolved climate risk assessment. (2) Leveraging this database, we have uncovered the socioeconomic driving factors that are correlated with earlier onset of solar adoption and higher saturated adoption levels. We have identified the heterogeneity in the effects of different types of financial incentives on solar adoption and provided implications for tailoring incentive design based on local income levels to promote equitable solar adoption. (3) We have developed a distribution grid GIS mapping algorithm which can obtain granular geospatial and topology information about distribution grids using multi-modal open data, reducing the dependency on hard-to-obtain smart meter data of conventional approaches. It shows effectiveness in both the U.S. and Sub-Saharan Africa. Using this algorithm, we have uncovered the non-uniform vulnerability of distribution grids to wildfires in California in the aspects of undergrounding protection and Distributed Energy Resources (DER) preparedness. This has provided important implications for improving the affordability and equity of grid adaptation approaches. (3) We have made our produced database publicly available and provided user-friendly interface to enable various stakeholders and the general public to interact with the data. We have also integrated the produced data into the Data Commons platform to enable the public to access the data and correlate it with other location-specific characteristics simply using natural language as queries. The impact of our project is three-fold: (1) New algorithms for mapping solar PVs and distribution grids across space and time, which are open source to facilitate researchers and industry; (2) New databases of solar PVs and distribution grids that have been made publicly available for engineering, social, and policy applications; (3) New understandings and actionable insights on the potential approaches to promoting solar adoption and reducing energy infrastructure vulnerabilities. In this report, we start by discussing the project background and motivation (section 5), followed by the overview of project objectives (section 6). Results and discussion for each task are presented in section 7. Significant accomplishments are summarized in section 8. This report will be concluded by discussing the paths forwards (section 9), products (section 10), and team roles (section 11).

14 SOLAR ENERGY↗

DOE OSTI2025

Electron Energy-Loss Spectroscopy and Differential Phase Contrast Imaging with Active Decision in Multimodal Electron Microscopy: Isotopic detection at the atomic scale

Isotopic engineering provides a powerful route to control phonon behavior in crystalline solids, enabling fundamental studies of lattice dynamics and heat transport at the atomic scale. Here, we directly visualize isotope-dependent phonon propagation in epitaxial Cr 2 O 3 using aberration-corrected scanning transmission electron microscopy (STEM) combined with monochromated, high-energy-resolution electron energy-loss spectroscopy (EELS). Guided by ab initio phonon calculations, we demonstrate that optical phonon modes above 70 meV are predominantly oxygen-derived and exhibit measurable redshifts upon substitution of natural 16 O by enriched 18 O. Spatially resolved vibrational spectrum imaging reveals isotope-enriched tracer layers within Cr 2 O 3 thin films, correlating isotope concentration with phonon intensity variations and vibrational energy shifts. At the nanometer and atomic scales, vibrational EELS mapping uncovers coherent phonon propagation across isotopic interfaces, consistent with theoretical phonon density of states and dispersion relations. These results establish vibrational EELS as a quantitative probe for isotope-dependent phonon transport in materials, opening new possibilities for studying energy dissipation and lattice dynamics.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Extended X-Ray Monitoring of Gravitational Lenses with Chandra and Joint Constraints on X-Ray Emission Regions

We present an X-ray photometric analysis of six gravitationally lensed quasars, with observation campaigns spanning from 5 to 14 years, measuring the total (0.83–21.8 keV restframe), soft- (0.83–3.6 keV), and hard- (3.6–21.8 keV) band image flux ratios for each epoch. Using the ratios of the model-predicted macro-magnifications as baselines, we build differential microlensing light curves and obtain joint likelihood functions for the average X-ray emission region sizes. Our analysis yields a probability distribution function for the average half-light radius of the X-ray emission region in the sample that peaks slightly above 1 gravitational radius and with nearly indistinguishable 68% confidence (one-sided) upper limits of 17.8 and 18.9 gravitational radii for the soft and hard X-ray emitting regions, assuming a mean stellar mass of 0.3 M {sub ⊙}. We see hints of energy dependent microlensing between the soft and hard bands in two of the objects. In a separate analysis on the root-mean-square (rms) of the microlensing variability, we find significant differences between the soft and hard bands, but the sign of the difference is not consistent across the sample. This suggests the existence of some kind of spatial structure to the X-ray emission in an otherwise extremely compact source. We also discover a correlation between the rms microlensing variability and the average microlensing amplitude.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Downscaling Solar Power Output to 4-Seconds for Use in Integration Studies (Presentation)

High penetration renewable integration studies require solar power data with high spatial and temporal accuracy to quantify the impact of high frequency solar power ramps on the operation of the system. Our previous work concentrated on downscaling solar power from one hour to one minute by simulation. This method used clearness classifications to categorize temporal and spatial variability, and iterative methods to simulate intra-hour clearness variability. We determined that solar power ramp correlations between sites decrease with distance and the duration of the ramp, starting at around 0.6 for 30-minute ramps between sites that are less than 20 km apart. The sub-hour irradiance algorithm we developed has a noise floor that causes the correlations to approach ~0.005. Below one minute, the majority of the correlations of solar power ramps between sites less than 20 km apart are zero, and thus a new method to simulate intra-minute variability is needed. These intra-minute solar power ramps can be simulated using several methods, three of which we evaluate: a cubic spline fit to the one-minute solar power data; projection of the power spectral density toward the higher frequency domain; and average high frequency power spectral density from measured data. Each of these methods either under- or over-estimates the variability of intra-minute solar power ramps. We show that an optimized weighted linear sum of methods, dependent on the classification of temporal variability of the segment of one-minute solar power data, yields time series and ramp distributions similar to measured high-resolution solar irradiance data.

14 SOLAR ENERGY↗

DOE OSTI2013

Downscaling Solar Power Output to 4-Seconds for Use in Integration Studies: Preprint

14 SOLAR ENERGY↗