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At least 847 records · Page 47

AI-enabled high-resolution scanning coherent diffraction imaging

Ptychographic imaging is a powerful means of imaging beyond the resolution limits of typical x-ray optics. Capturing recovered images from raw ptychographic data, however, requires the solution of an inverse problem, namely, phase retrieval. Phase retrieval algorithms are computationally expensive, which precludes real-time imaging. In this work, we propose PtychoNN, an approach to solve the ptychography data inversion problem based on a deep convolutional neural network. We demonstrate how the proposed method can be used to predict real-space structure and phase at each scan point solely from the corresponding far-field diffraction data. Our results demonstrate the practical application of machine learning to recover high fidelity amplitude and phase contrast images of a real sample hundreds of times faster than current ptychography reconstruction packages. Furthermore, by overcoming the constraints of iterative model-based methods, we can significantly relax sampling constraints on data acquisition while still producing an excellent image of the sample. Besides drastically accelerating acquisition and analysis, this capability has profound implications for the imaging of dose sensitive, dynamic, and extremely voluminous samples.

47 OTHER INSTRUMENTATION↗

Legacy effects of drought on tree growth responses to hurricanes

Natural perturbations, including hurricanes and severe droughts, are becoming more frequent and intense in the tropics, yet our understanding of forest responses to these events is still limited. While the relationships between extreme climatic events and tree mortality are frequently studied, responses of trees that survived such perturbations have been rarely reported. Perturbations and their effects can be quite variable, and trees can respond both positively and negatively to them, depending on their sensitivity and opportunistic behavior. Understanding the potential variation in responses both within and among species is important for building predictions of forest responses. We studied tree growth responses (i.e., changes relative to standard conditions) to hurricanes and drought events in Puerto Rico across six common and broadly distributed species. We examined whether there is a congruence in responses to these contrasting extreme climatic events. We show that trees are particularly susceptible to droughts but display a wide range of responses to hurricanes. Despite the high stochasticity in the impacts of hurricanes, trees that showed reduced growth during previous droughts tend to show reduced growth during the hurricanes as well. Our results demonstrate that trees subjected to different and successive major climatic stresses have consistent declines in their performance. Projected increases in the severity of droughts and tropical storms could have an accumulated, and possibly compound, impact on tree growth. Long-term demographic studies are necessary to understand legacy effects of species responses to extreme climatic perturbations.

54 ENVIRONMENTAL SCIENCES↗

Guiding Principles for Geochemical/Thermodynamic Model Development and Validation in Nuclear Waste Disposal: A Close Examination of Recent Thermodynamic Models for H + —Nd 3+ —NO 3 - (—Oxalate) Systems

Development of a defensible source-term model (STM), usually a thermodynamical model for radionuclide solubility calculations, is critical to a performance assessment (PA) of a geologic repository for nuclear waste disposal. Such a model is generally subjected to rigorous regulatory scrutiny. In this article, we highlight key guiding principles for STM model development and validation in nuclear waste management. We illustrate these principles by closely examining three recently developed thermodynamic models with the Pitzer formulism for aqueous H + —Nd 3+ —NO 3 - (—oxalate) systems in a reverse alphabetical order of the authors: the XW model developed by Xiong and Wang, the OWC model developed by Oakes et al., and the GLC model developed by Guignot et al., among which the XW model deals with trace activity coefficients for Nd(III), while the OWC and GLC models are for concentrated Nd(NO 3 ) 3 electrolyte solutions. The principles highlighted include the following: (1) Principle 1. Validation against independent experimental data: A model should be validated against experimental data or field observations that have not been used in the original model parameterization. We tested the XW model against multiple independent experimental data sets including electromotive force (EMF), solubility, water vapor, and water activity measurements. The results show that the XW model is accurate and valid for its intended use for predicting trace activity coefficients and therefore Nd solubility in repository environments. (2) Principle 2. Testing for relevant and sensitive variables: Solution pH is such a variable for an STM and easily acquirable. All three models are checked for their ability to predict pH conditions in Nd(NO 3 ) 3 electrolyte solutions. The OWC model fails to provide a reasonable estimate for solution pH conditions, thus casting serious doubt on its validity for a source-term calculation. In contrast, both the XW and GLC models predict close-to-neutral pH values, in agreement with experimental measurements. (3) Principle 3. Honoring physical constraints: Upon close examination, it is found that the Nd(III)-NO 3 association schema in the OWC model suffers from two shortcomings. Firstly, its second stepwise stability constant for Nd(NO 3 ) 2+ (log K 2 ) is much higher than the first stepwise stability constant for NdNO 3 2+ (log K 1 ), thus violating the general rule of (log K 2 –log K 1 ) < 0, or $\frac{K1}{K2}$>1. Secondly, the OWC model predicts abnormally high activity coefficients for Nd(NO 3 ) 2 + (up to ~900) as the concentration increases. (4) Principle 4. Minimizing degrees of freedom for model fitting: The OWC model with nine fitted parameters is compared with the GLC model with five fitted parameters, as both models apply to the concentrated region for Nd(NO 3 ) 3 electrolyte solutions. The latter appears superior to the former because the latter can fit osmotic coefficient data equally well with fewer model parameters. The work presented here thus illustrates the salient points of geochemical model development, selection, and validation in nuclear waste management.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

High-Contrast 3.8 Micron Imaging of the Brown Dwarf/Planet-Mass Companion to GJ 758

We present L' band (3.8 Micron) MMT/Clio high-contrast imaging data for the nearby star GJ 758, which was recently reported by Thalmann et al. (2009) to have one -- possibly two-- faint comoving companions (GJ 7588 and "C", respectively). GJ 758B is detected in two distinct datasets. Additionally, we report a \textit(possible) detection of the object identified by Thalmann et al as "GJ 758C" in our more sensitive dataset, though it is likely a residual speckle. However, if it is the same object as that reported by Thalmann et al. it cannot be a companion in a bound orbit. GJ 758B has a H-L'color redder than nearly all known L--T8 dwarfs. Based on comparisons with the COND evolutionary models, GJ 758B has Te approx. 560 K (+150 K, -90 K) and a mass ranging from approx. 10-20 Mj if it is approx. 1 Gyr old to approx. 25-40 Mj if it is 8.7 Gyr old. GJ 758B is likely in a highly eccentric orbit, e approx. 0.73 (+0.12,-0.21), with a semimajor axis of approx. 44 AU (+32 AU, -14 AU). Though GJ 758B is sometimes discussed within the context of exoplanet direct imaging, its mass is likely greater than the deuterium-burning limit and its formation may resemble that of binary stars rather than that of jovian-mass planets.

Currie, Thayne↗

High-Contrast 3.8 Micron Imaging of the Brown Dwarf/Planet-Mass Companion to GJ 758

We present L' band (3.8 Micron) MMT/Clio high-contrast imaging data for the nearby star GJ 758, which was recently reported by Thalmann et al. (2009) to have one - possibly two - faint comoving companions (GJ 7588 and "C", respectively). GJ 758B is detected in two distinct datasets. Additionally, we report a \textit{possible} detection of the object identified by Thalmann et al as "GJ 758C" in our more sensitive dataset, though it is likely a residual speckle. However, if it is the same object as that reported by Thalmann et al. it cannot be a companion in a bound orbit. GJ 7588 has a H-L' color redder than nearly all known L-T8 dwarfs. 8ased on comparisons with the COND evolutionary models, GJ 7588 has Te approx. 560 K (+150 K, -90 K) and a mass ranging from approx.10-20 Mj if it is approx.1 Gyr old to approx. 25-40 Mj if it is 8.7 Gyr old. GJ 7588 is likely in a highly eccentric orbit, e approx. 0.73 (+0.12,-0.21), with a semimajor axis of approx. 44 AU (+32 AU, -14 AU). Though GJ 7588 is sometimes discussed within the context of exoplanet direct imaging, its mass is likely greater than the deuterium-burning limit and its formation may resemble that of binary stars rather than that of jovian-mass planets.

Currie, Thayne M.↗

Theory-Guided Inelastic Neutron Scattering of Crystalline Alkaline Aluminate Salts Bearing Principal Motifs of Solution-State Species

Aluminate salts precipitated from caustic alkaline solutions exhibit a correlation between the anionic speciation and the identity of the alkali cation in the precipitate, with the aluminate ions occurring either in monomeric (Al(OH) 4 – ) or dimeric (Al 2 O(OH) 6 2– ) forms. The origin of this correlation is poorly understood as are the roles that oligomeric aluminate species play in determining the solution structure, prenucleation clusters, and precipitation pathways. Characterization of aluminate solution speciation with vibrational spectroscopy results in spectra that are difficult to interpret because the ions access a diverse and dynamic configurational space. To investigate the Al(OH) 4 – and Al 2 O(OH) 6 2– anions within a well-defined crystal lattice, inelastic neutron scattering (INS) and Raman spectroscopic data were collected and simulated by density functional theory for K 2 [Al 2 O(OH) 6 ], Rb 2 [Al 2 O(OH) 6 ], and Cs[Al(OH) 4 ]·2H 2 O. These structures capture archetypal solution aluminate species: the first two salts contain dimeric Al 2 O(OH) 6 2– anions, while the third contains the monomeric Al(OH) 4 – anion. Here, comparisons were made to the INS and Raman spectra of sodium aluminate solutions frozen in a glassy state. In contrast to solution systems, the crystal lattice of the salts results in well-defined vibrations and associated resolved bands in the INS spectra. The use of a theory-guided analysis of the INS of this solid alkaline aluminate series revealed that differences were related to the nature of the hydrogen-bonding network and showed that INS is a sensitive probe of the degree of completeness and strength of the bond network in hydrogen-bonded materials. Results suggest that the ionic size may explain cation-specific differences in crystallization pathways in alkaline aluminate salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact of Cloud-Base Turbulence on CCN Activation: Single-Size CCN

Abstract This paper examines the impact of cloud-base turbulence on activation of cloud condensation nuclei (CCN). Following our previous studies, we contrast activation within a nonturbulent adiabatic parcel and an adiabatic parcel filled with turbulence. The latter is simulated by applying a forced implicit large-eddy simulation within a triply periodic computational domain of 64 3 m 3 . We consider two monodisperse CCN. Small CCN have a dry radius of 0.01 μ m and a corresponding activation (critical) radius and critical supersaturation of 0.6 μ m and 1.3%, respectively. Large CCN have a dry radius of 0.2 μ m and feature activation radius of 5.4 μ m and critical supersaturation 0.15%. CCN are assumed in 200-cm −3 concentration in all cases. Mean cloud-base updraft velocities of 0.33, 1, and 3 m s −1 are considered. In the nonturbulent parcel, all CCN are activated and lead to a monodisperse droplet size distribution above the cloud base, with practically the same droplet size in all simulations. In contrast, turbulence can lead to activation of only a fraction of all CCN with a nonzero spectral width above the cloud base, of the order of 1 μ m, especially in the case of small CCN and weak mean cloud-base ascent. We compare our results to studies of the turbulent single-size CCN activation in the Pi chamber. Sensitivity simulations that apply a smaller turbulence intensity, smaller computational domain, and modified initial conditions document the impact of specific modeling assumptions. The simulations call for a more realistic high-resolution modeling of turbulent cloud-base activation.

54 ENVIRONMENTAL SCIENCES↗

Blocking Simulations in GFDL GCMs for CMIP5 and CMIP6

Abstract The frequency of atmospheric blocking has been largely underestimated by general circulation models (GCMs) participating in the Coupled Model Intercomparison Project (CMIP). Errors in the onset, persistence, barotropicity, geographical preference, seasonality, intensity, and moving speed of global blocking were diagnosed in 10 Geophysical Fluid Dynamics Laboratory (GFDL) GCMs for recent CMIP5 and CMIP6 using a detection approach that combines zonal eddies and the reversal of zonal winds. The blocking frequency, similar at 500 and 250 hPa, is underestimated by 50% in the Atlantic–Europe region during December–February but is overestimated by 60% in the Pacific–North America region during that season and by 70% in the southwest Pacific during July–August. These blocking biases at 500 hPa were investigated in the five CMIP6 models that showed improvements over the CMIP5 versions. The Atlantic–Europe underestimate corresponds to lower instantaneous blocking rates, lower persistent blocking rates, and higher persistent stationary ridge rates; the number of blocks with a duration of 4–5 days is only 40%–65% of that in observations. In contrast, the overestimate consists of excessive blocks with a duration longer than 12 days in the Pacific–North America and up to twice as many 4–6-day events in the southwest Pacific. Simulated December–February blocks up to 12 days in the Pacific–North America region tend to be stronger and to move more slowly than those in observations. Diagnostic sensitivity tests indicated that the zonal mean and zonal eddy components of the mean state play a key role, as replacing each with that of observations substantially reduced many of the outstanding biases in these GCMs.

54 ENVIRONMENTAL SCIENCES↗

Toward accurate measurement of electromagnetic field by retrieving and refining the center position of non-uniform diffraction disks in Lorentz 4D-STEM

Recent advancement in scanning transmission electron microscopy (STEM) allows the use of 4D-STEM, a technique that captures an electron diffraction pattern at each scan point in STEM, to measure electrostatic and magnetic potential and field in materials. However, accurate measurement, separation of the magnetic and electric signals, and removal of artifacts remain challenging, especially in the presence of complex non-uniform diffraction contrast within the disks. In this work, based on dynamic simulations of 4D-STEM patterns built upon superstructures consisting of millions of atoms to account for different sample thickness and edge geometries, we show how the shape and intensity distribution of the central disk are affected by multiple scattering. We propose a robust refinement procedure through iteration of the spin-sensitive peak position of the disk-center in the circular Hough transform filtered images from experimental Lorentz 4D-STEM dataset after minimizing the possible artifacts, such as those due to the change of thickness, dynamic scattering, and scanning process. We verify that caution must be taken as in practice the rigid-disk-shift model used to reconstruct induction maps can easily break down due to disk-protrusion when there exists a nonconstant phase gradient or thickness within the width of the probe. Through quantitative analysis and comparing experiment with calculation the effect of the non-spin-related intensity distribution inside the disk as well as that causes the disk shift due to the intensity-protrusion can be removed, and high-quality magnetic field mapping is possible.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Computational Insights into the Salt-Induced Modulation of Electron Transporting Conjugated Polyelectrolytes

The morphological and electronic properties of conjugated polyelectrolytes (CPEs) are highly sensitive to their ionic environment and remain poorly understood. To elucidate structure–property relationships in CPEs, we investigate the role of salt concentration on CPE morphology and hole conductivity using a quantum mechanically informed coarse-grained (CG) model coupled with semiclassical rate theory. Under good solvent conditions, high salt concentration induces torsional disorder along the conjugated backbone, decreasing hole delocalization. In contrast, under poor solvent conditions, high salt concentration promotes CPE aggregation, leading to thicker fibers and increased hole mobilities. Collectively, this work characterizes the competing interactions governing CPE assembly and hole transport as a function of salt concentration, highlighting ion engineering as a powerful strategy for tailoring the properties of mixed-conducting polymers.

diseases↗

Ab initio ultrafast spin dynamics in solids

Spin relaxation and decoherence is at the heart of spintronics and spin-based quantum information science. Currently, theoretical approaches that can accurately predict spin relaxation of general solids including necessary scattering pathways and are capable of nanosecond to millisecond simulation time are urgently needed. We present a first-principles real-time density-matrix approach based on Lindblad dynamics to simulate ultrafast spin dynamics for general solid-state systems. Through the complete first-principles descriptions of pump, probe, and scattering processes including electron-phonon, electron-impurity, and electron-electron scatterings with self-consistent electronic spin-orbit couplings, our method can directly simulate the ultrafast pump-probe measurements for coupled spin and electron dynamics over nanoseconds at any temperatures and doping levels. We first apply this method to a prototypical system GaAs and obtain excellent agreement with experiments. We found that the relative contributions of different scattering mechanisms and phonon modes differ considerably between spin and carrier relaxation processes. In sharp contrast to previous work based on model Hamiltonians, we point out that the electron-electron scattering is negligible at room temperature but becomes dominant at low temperatures for spin relaxation in n-type GaAs. We further examine ultrafast dynamics in novel spin-valleytronic materials: monolayer and bilayer WSe 2 with realistic defects. We find that spin relaxation is highly sensitive to local symmetry and chemical bonds around defects. For the bilayer WSe 2 , we identify the scattering pathways in ultrafast dynamics and determine relevant dynamical properties, essential to its utilization of unique spin-valley-layer locking effects. In conclusion, our work provides a predictive computational platform for spin dynamics in solids, which has potential for designing new materials ideal for spintronics and quantum information technology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Finding evidence for inflation and the origin of galactic magnetic fields with CMB surveys

The origin of the μG magnetic fields observed in galaxies is unknown. One promising scenario is that magnetic fields generated during inflation, larger than 0.1 nG on Mpc scales, were adiabatically compressed to μG strengths in galaxies during structure formation. Thus, detecting a scale-invariant primordial magnetic field (PMF) above 0.1 nG on Mpc scales just after recombination would indicate an inflationary origin of galactic magnetic fields. Furthermore, this would also provide compelling evidence that inflation occurred since only an inflationary mechanism could generate such a strong, scale-invariant magnetic field on Mpc scales. In contrast, constraining the scale-invariant PMF strength to be below 0.1 nG would imply an inflationary scenario is not the primary origin, since such weak PMFs cannot be amplified enough via adiabatic compression to produce the strength of the galactic fields we observe today. We find that measurements of anisotropic birefringence by future CMB surveys will be able to improve the sensitivity to Mpc-scale inflationary PMFs by an order of magnitude, and, in particular, that CMB-HD would lower the upper bound to 0.072 nG at the 95% C.L., which is below the critical 0.1 nG threshold for ruling out a purely inflationary origin. If inflationary PMFs exist, we find that a CMB-HD survey would be able to detect them with about 3σ significance or higher, providing evidence for inflation itself.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

First operation of superconducting quantum bits as particle detectors

Transmon qubits are among the leading technologies for the development of future quantum computers. However these superconducting devices are sensitive to ionizing radiation, which reduces their coherence time and leads to correlated errors. This study represents the first quantitative estimation of cosmic rays and ambient radiation impact on transmon qubits. In the shielded underground facility at the Laboratori Nazionali del Gran Sasso (LNGS), errors induced by the interaction of a radioactive source were reconstructed with an efficiency of about 10%. In contrast, in the unshielded above-ground facility at the Fermi National Accelerator Laboratory (FNAL), cosmic and ambient radiation impacts were detected with an efficiency ranging from 10% to 20% by modifying the acquisition protocol. Lastly, the simultaneous readout of three transmons in coincidence was demonstrated, achieving an event reconstruction efficiency of 90% when the devices were illuminated with an LED.

Bonomo, Camilla [Rome U.; INFN, Rome]↗

Magnetic petrology of eastern North America diabases. I - Olivine-normative dikes from western South Carolina

The oxide mineralogy and the magnetic behavior of 15 olivine-normative samples obtained from South-Caroline diabase dikes were investigated using electron microprobe and SEM analyses and measurements of natural remanence magnetization (NRM), saturation isothermal remanence magnetization (SIRM), and anhysteritic remanence magnetization. It was found that chromite (which for these olivine-normative diabases is a sensitive petrologic indicator) constitutes up to 0.5 vol pct and that its abundance and composition correlate with bulk rock Cr. Microscopic analyses showed that titanomagnetite compositions were mostly between 0.4 and 0.55. The values of NRM and the NRM/SIRM ratios varied between 4 and 0.01 A sq m/kg and 0.0019 and 0.032, respectively. These properties inversely correlate with Cr content and demonstrably contrast Cr-rich and Cr-poor samples.

Warner, Richard D.↗

Mapping the stellar backbones of spiral galaxies

We present optical and IR surface photometry of M51 (NGC 5194) at B, V, R, I, J, K, and CO. These data are used to establish whether K-band images of spiral galaxies provide reliable maps of stellar surface mass density features such as massive spiral arms or bars. The main distorting agents in the mapping at shorter wavelengths are dust extinction and luminous young stars. From modeling the color changes across the main dust lanes in M51, we find the optical depths to be about 0.5 in the K band. For these optical depths the K-band flux is attenuated by only less than 10 percent even in the dust lanes. From monitoring the gravity-sensitive CO index across the spiral arms we find that young red supergiants do not significantly distort the K-band image. On this basis, we conclude that K-band images do trace the massive disk star population and allow to map azimuthal variation in the surface mass density of the stellar disk. In M51 we find the surface mass density contrast to range from 1.8 to 3, as expected from N-body simulations of the galaxy's tidal encounter with NGC 5195. The spiral arm amplitude in M51 clearly shows smooth, strong radial variations, with a maximum at about 130 arcsec and minima at 45 and 170 arcsec.

Rix, Hans-Walter↗

Unconventional Imaging with Contained Granular Media

Typically, the cost of a space-borne imaging system is driven by the size and mass of the primary aperture. The solution that we propose uses a method to construct an imaging system in space in which the nonlinear optical properties of a cloud of micron-sized particles, shaped into a specific surface by electromagnetic means, and allows one to form a very large and lightweight aperture of an optical system, hence reducing overall mass and cost. Recent work at JPL has investigated the feasibility of a granular imaging system, concluding that such a system could be built and controlled in orbit. We conducted experiments and simulation of the optical response of a granular lens. In all cases, the optical response, measured by the Modulation Transfer Function, of hexagonal reflectors was closely comparable to that of a conventional spherical mirror. We conducted some further analyses by evaluating the sensitivity to fill factor and grain shape, and found a marked sensitivity to fill factor but no sensitivity to grain shape. We have also found that at fill factors as low as 30%, the reflection from a granular lens is still excellent. Furthermore, we replaced the monolithic primary mirror in an existing integrated model of an optical system (WFIRST Coronagraph) with a granular lens, and found that the granular lens that can be useful for exoplanet detection provides excellent contrast levels. We will present our testbed and simulation results in this paper.

Sidick, Erkin↗

Atomic Resolution Imaging of Light Elements in a Crystalline Environment using Dynamic Hollow-Cone Illumination Transmission Electron Microscopy

Multiple electron scattering and the nonintuitive nature of image formation with coherent radiation complicate the interpretation of conventional transmission electron microscopy images. Precession of the illuminating beam in transmission electron microscopy (TEM) can lead to more robust and interpretable images with some penalty to image contrast, a technique known as dynamic hollow-cone illumination TEM. Here, we demonstrate direct and robust imaging of light and heavy atoms in a crystalline environment with this technique. This method is similar to the annular bright-field technique in scanning transmission electron microscopy, via the principle of reciprocity. Dynamic hollow-cone illumination TEM is challenging in practice due to sensitivity to the misalignment of the precession axis, microscope objective aperture, and crystal zone axis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Terahertz Nano-Imaging of Electronic Strip Heterogeneity in a Dirac Semimetal

Emerging topological semimetals offer promise of realizing topological electronics enabled by terahertz (THz) current persistent against impurity scattering. Yet most fundamental issues remain on how to image nanoscale conductivity inhomogeneity. Here in this paper we show noninvasive and contactless conductivity mapping at THz-nm limit of electronic heterogeneity and nanostrip junctions in a Dirac material ZrTe 5 . A clear Dirac Fermion density transition, manifested as the exclusive THz conductivity contrast, is quantitatively analyzed and profiled on both sides of the junction. This also allows the determination of variable junction width of ~25–220 nm, depending on the THz conductivity contrast of adjacent strips. The unique THz-nm contrast is absent in mid-infrared nano-imaging measurements since topological semimetals with small Fermi pockets exhibit a better matching of their plasma frequency and scattering rate to the THz spectral region. The first-principles calculations provide two compelling implications: the conductivity nanocontrast can be induced by a small anisotropic strain, even less than 0.5%, due to an extreme strain sensitivity in ZrTe 5 ; A nanoscale topological phase transition is realized across some junctions induced by the strain, between strong topological insulators (TIs) and weak TIs/Dirac semimetals (DSMs).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗