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At least 451 records · Page 25

Self-supervised physics-informed generative networks for phase retrieval from a single X-ray hologram

X-ray phase contrast imaging significantly improves the visualization of structures with weak or uniform absorption, broadening its applications across a wide range of scientific disciplines. Propagation-based phase contrast is particularly suitable for time- or dose-critical in vivo/in situ/operando (tomography) experiments because it requires only a single intensity measurement. However, the phase information of the wave field is lost during the measurement and must be recovered. Conventional algebraic and iterative methods often rely on specific approximations or boundary conditions that may not be met by many samples or experimental setups. In addition, they require manual tuning of reconstruction parameters by experts, making them less adaptable for complex or variable conditions. Here we present a self-learning approach for solving the inverse problem of phase retrieval in the near-field regime of Fresnel theory using a single intensity measurement (hologram). A physics-informed generative adversarial network is employed to reconstruct both the phase and absorbance of the unpropagated wave field in the sample plane from a single hologram. Unlike most state-of-the-art deep learning approaches for phase retrieval, our approach does not require paired, unpaired, or simulated training data. This significantly broadens the applicability of our approach, as acquiring or generating suitable training data remains a major challenge due to the wide variability in sample types and experimental configurations. The algorithm demonstrates robust and consistent performance across diverse imaging conditions and sample types, delivering quantitative, high-quality reconstructions for both simulated data and experimental datasets acquired at beamline P05 at PETRA III (DESY, Hamburg), operated by Helmholtz-Zentrum Hereon. Furthermore, it enables the simultaneous retrieval of both phase and absorption information.

36 MATERIALS SCIENCE↗

Effects of Photonic Curing Processing Conditions on MAPbI 3 Film Properties and Solar Cell Performance

Thermal annealing is the most used postdeposition materials processing method in laboratory research, but due to its slow speed and high energy cost, it is not compatible with the upscaling and commercialization of perovskite solar cell (PSC) manufacturing. Here, we adapt photonic curing (PC), which uses millisecond light pulses to deliver energy to the sample, to replace thermal annealing for crystallization of methylammonium lead iodide (MAPbI 3 ) films and rapid fabrication of PSCs. We study how PC conditions affect the outcome of MAPbI 3 conversion from the precursor to the crystalline perovskite phase by evaluating the films’ optical, crystalline, and morphological properties, as well as PSC performance. The results are understood using simulated film temperature profiles. We show that MAPbI 3 is readily converted under a wide range of PC conditions. While previous reports all used short pulses (<3 ms), we find that longer pulses produce more dense films and higher-performing PSCs. We achieve a champion power conversion efficiency in a PC-processed MAPbI 3 PSC of 11.26% under forward scan and 10.34% under reverse scan, with the processing time for the MAPbI 3 layer reduced by 30,000-fold, from 10 min to 20 ms. Using a 6 in. lamp, spatial uniformity tests show a cross-web efficiency variation of 5%. Our results indicate that using longer pulse lengths, >10 ms, is the best PC strategy for perovskite conversion, and PC is a promising annealing method for large-area, high-throughput PSC manufacturing.

14 SOLAR ENERGY↗

A Decision-Relevant Factor-Fixing Framework: Application to Uncertainty Analysis of a High-Dimensional Water Quality Model

Factor Fixing (FF) is a common method for reducing the number of model parameters to lower computational cost. FF typically starts with distinguishing the insensitive parameters from the sensitive and pursues uncertainty quantification (UQ) on the resulting reduced-order model, fixing each insensitive parameter at a fixed value. There is a need, however, to expand such a common approach to consider the effects of decision choices in the FF-UQ procedure on metrics of interest. Therefore, to guide the use of FF and increase confidence in the resulting dimension-reduced model, we propose a new adaptive framework consisting of four principles: (a) re-parameterize the model first to reduce obvious non-identifiable parameter combinations, (b) focus on decision relevance especially with respect to errors in quantities of interest (QoI), (c) conduct adaptive evaluation and robustness assessment of errors in the QoI across FF choices as sample size increases, and (d) reconsider whether fixing is warranted. The framework is demonstrated on a spatially-distributed water quality model. The error in estimates of QoI caused by FF can be estimated using a Polynomial Chaos Expansion (PCE) surrogate model. Built with 70 model runs, the surrogate is computationally inexpensive to evaluate and can provide global sensitivity indices for free. For the selected catchment, just two factors may provide an acceptably accurate estimate of model uncertainty in the average annual load of Total Suspended Solids (TSS), suggesting that reducing the uncertainty in these two parameters is a priority for future work before undertaking further formal uncertainty quantification.

54 ENVIRONMENTAL SCIENCES↗

O’Hare Airport Short-Term Ground Transportation Modal Demand Forecast Using Gaussian Processes

Here, the principal objective of this study is to analyze the spatial and temporal variation of ground transportation airport demand and provide demand forecast to inform planning capability and explore alternatives for investments to accommodate airport growth. Because of its good adaptability and strong generalization ability for dealing with high-dimensional input, small-sample, and nonlinear spatial data, Gaussian process (GP) regression is used to provide forecast estimates using data from transportation network company (TNC) trips and urban rail passengers at Chicago's O'Hare International Airport. TNC airport trips differ significantly, with three times more distance, more than twice the travel time, and half of the share requests compared with nonairport trips. This highlights the need for separate demand models. Hourly analysis of the rail service indicates that this is likely heavily used by airport workers, whereas TNC services focus on travelers because of variations in the peak demand hours. Heteroscedastic GP regression is implemented because of differences in trip variance between night and day hours. Estimates are given for weekdays and weekend trips, and the 95% confidence intervals are calculated. The introduction of flight schedule information into the models shows marginal improvements in their performance. However, fitting a GP regression becomes computationally expensive with increased sample size and the introduction of spatial components. Transportation planners and policymakers can use the results and methods implemented in this study to optimize transportation assets and provide long-range simulations of the current and future conditions in the area.

42 ENGINEERING↗

Spatiotemporal Plasma-Particle Characterization of Dry Aerosols Using Nanosecond, Femtosecond, and Filament Laser-Produced Plasmas

The ability to rapidly characterize dry aerosols in air using laser-induced breakdown spectroscopy (LIBS) with femtosecond laser pulses promises advancement towards real-time atmospheric sampling and standoff capabilities. Of particular interest is the ability to apply LIBS in the context of low-particle loaded environments where discrete particle interactions must be observed within the sampling volume of the laser-produced plasma (LPP). In this study, dry nanoparticles in suspension are generated from a standard solution and sampled in air using Q-switched nanosecond (ns-) pulses, short-focus (SF) femtosecond (fs-) pulses, and filaments. Short time-gated plasma images are captured to observe spatially and temporally varying discrete plasma-particle interactions, which is shown to influence early air breakdown behavior and subsequent plasma evolution. Along with images, photo-multiplier tube (PMT) measurements are conducted where strong spatiotemporal dependencies are exhibited by the collected emission signal on particle proximity and plasma expansion behavior. Finally, conditional analysis is performed on LIBS measurements to determine associated sampling probabilities and filter out spectra with poor or absent emission peaks with an adaptive threshold algorithm.

42 ENGINEERING↗

pyTCR: A tropical cyclone rainfall model for python

pyTCR is a climatology software package developed in the Python programming language. It integrates the capabilities of several legacy physical models and increases computational efficiency to allow rapid estimation of tropical cyclone (TC) rainfall consistent with the large-scale environment. Specifically, pyTCR implements a horizontally distributed and vertically integrated model [Zhu et al., 2013] for simulating rainfall driven by TCs. Along storm tracks, rainfall is estimated by computing the cross-boundary-layer, upward water vapor transport caused by different mechanisms including frictional convergence, vortex stretching, large-scale baroclinic effect (i.e., wind shear), topographic forcing, and radiative cooling [Lu et al., 2018]. The package provides essential functionalities for modeling and interpreting spatio-temporal TC rainfall data. pyTCR requires a limited number of model input parameters, making it a convenient and useful tool for analyzing rainfall mechanisms driven by TCs. To sample rare (most intense) rainfall events that are often of great societal interest, pyTCR adapts and leverages outputs from a statistical-dynamical TC downscaling model [Lin et al., 2023] capable of rapidly generating a large number of synthetic TCs given a certain climate. As a result, pyTCR significantly reduces computational effort and improves the efficiency in capturing extreme TC rainfall events at the tail of the distributions from limited datasets. Furthermore, the TC downscaling model is forced entirely by large-scale environmental conditions from reanalysis data or coupled General Circulation Models (GCMs), simplifying the projection of TC-induced rainfall and wind speed under future climate using pyTCR. Finally, pyTCR can be coupled with hydrological and wind models to assess risks associated with independent and compound events (e.g., storm surges and freshwater flooding).

54 ENVIRONMENTAL SCIENCES↗

Laser velocimeter stand-alone controller

A distributed microprocessor network has been developed to position a laser-based velocity measurement package. Designed primarily for use inside the Ames 40 x 80-foot Subsonic Wind Tunnel, the instrument assembly is remotely operated. The mechanical system is reconfigurable for other test environments which necessitates an adaptive control approach. Three stepper motor drives provide two-dimensional positioning of the sampling point over 200/sq m of the test section, with a 5-mm resolution. Real-time multiprocessing provides fast response, fault detection, and parametric data acquisition. Manual tests are run from a dedicated control panel and automated tests are accomplished via an I.E.E.E 488 interface. The design approach and the progress to date are discussed.

Brown, R.↗

Finite element methods for high speed flows

An explicit finite element based solution procedure for solving the equations of compressible viscous high speed flow is presented. The method uses domain splitting to advance the solution with different timesteps on different portions of the mesh. For steady inviscid flows, adaptive mesh refinement procedures are successfully employed to enhance the definition of discontinuities. Preliminary ideas on the application of adaptive mesh refinement to the solution of problems involving steady viscous flow are presented. Sample timings are given for the performance of the finite element code on modern supercomputers.

Loehner, R.↗

Mossbauer spectroscopy of extraterrestrial materials

Mossbauer Spectroscopy (MS) has recently been added to the tools used by Dr. Richard Morris of the Experimental Planetology Branch of the Solar System Exploration Division at Johnson Space Flight Center in his research on synthetic and natural analogs of lunar and Martian soils. A least-squares fitting program for MS data written originally for an IBM 360 Mainframe computer was adapted for use on an IBM-PC microcomputer. The adapted program has been applied to the analysis of MS spectra obtained from several samples of Antarctic soil under investigation at JSC as analogs to soil of the Martian regolith. Preliminary conclusions have been drawn from the MS data about the composition of the Antarctic samples. Inferences from optical spectra obtained for these same samples have been compared with the MS results.

Agresti, D. G.↗

Lessons Learned for Geologic Data Collection and Sampling: Insights from the Desert RATS 2010 Geologist Crewmembers

Since 1997, Desert Research and Technology Studies (D-RATS) has conducted hardware and operations tests in the Arizona desert that advance human and robotic planetary exploration capabilities. D-RATS 2010 (8/31-9/13) simulated geologic traverses through a terrain of cinder cones, lava flows, and underlying sedimentary units using a pair of crewed rovers and extravehicular activities (EVAs) for geologic fieldwork. There were two sets of crews, each consisting of an engineer/commander and an experienced field geologist drawn from the academic community. A major objective of D-RATS was to examine the functions of a science support team, the roles of geologist crewmembers, and protocols, tools, and technologies needed for effective data collection and sample documentation. Solutions to these problems must consider how terrestrial field geology must be adapted to geologic fieldwork during EVAs

Hurtado, J. M., Jr.↗

Multi-Channel Correlator Array-Fed Microwave Radiometer

New antenna feed technology is needed for microwave radiometers as aperture sizes continue to increase. Capability for contiguous coverage and spatial Nyquist sampling can be achieved using a multi-beam array-fed reflector architecture adapted from radio astronomy. In this ACT (Advanced Component Technology), a wideband feed array for use in a multi-channel (X-W bands) scanning microwave radiometer is in development. The team, including array provider Nuvotronics Inc., is also developing a laboratory instrument to demonstrate the performance of the array-fed architecture at 36.5 gigahertz using an 80-centimeter projected aperture. The feed array is an 11-element line array based on a microfabricated 8-40 gigahertz feed. Multiple beams are generated by exciting overlapping groups of elements with each group shifted by one element spacing within the array. The modeled antenna patterns reveal six beams with 0.8-degree beamwidth and 0.3-degree spacing. This configuration is also a 1:26 electromagnetic scale model of a 1.41 gigahertz radiometer with a 21-meter aperture. The array-fed architecture for microwave radiometers has the potential to solve the developing need for high-spatial resolution, large aperture instruments. The objective relevancy scenario is a 6-meter aperture X-W band scanning radiometer purposed for high-resolution all-weather imaging of Earth's atmosphere and land, ice and ocean surfaces.

Microwave Radiometer↗

Two-dimensional second harmonic dispersion interferometer

An interferometer having a fundamental beam generator, a first second harmonic generator, a waveplate, a second second harmonic generator, a harmonic separator, and a polarizing beam splitter, mounted uniaxially, (i.e., the components are aligned along one optical axis), wherein the interferometer is adapted to change a diameter of a beam to match a diameter of a sample, and to change the diameter of the beam back to its original diameter.

Wessel, Frank Joseph↗

Accelerating Markov Chain Monte Carlo sampling with diffusion models

Global fits of physics models require efficient methods for exploring high-dimensional and/or multimodal posterior functions. We introduce a novel method for accelerating Markov Chain Monte Carlo (MCMC) sampling by pairing a Metropolis-Hastings algorithm with a diffusion model that can draw global samples with the aim of approximating the posterior. We briefly review diffusion models in the context of image synthesis before providing a streamlined diffusion model tailored towards low-dimensional data arrays. We then present our adapted Metropolis-Hastings algorithm which combines local proposals with global proposals taken from a diffusion model that is regularly trained on the samples produced during the MCMC run. Our approach leads to a significant reduction in the number of likelihood evaluations required to obtain an accurate representation of the Bayesian posterior across several analytic functions, as well as for a physical example based on a global fit of parton distribution functions. Our method is extensible to other MCMC techniques, and we briefly compare our method to similar approaches based on normalising flows. A code implementation can be found at https://github.com/NickHunt-Smith/MCMC-diffusion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Shortest Microlensing Event with a Bound Planet: KMT-2016-BLG-2605

With a planet–host mass ratio q = 0.012 ± 0.001, KMT-2016-BLG-2605 has the shortest Einstein timescale, t {sub E} = 3.41 ± 0.13 days, of any planetary microlensing event to date. This prompts us to examine the full sample of seven short (t {sub E} < 7 days) planetary events with good q measurements. We find that six have clustered Einstein radii θ {sub E} = 115 ± 20 μas and lens–source relative proper motions μ {sub rel} ≃ 9.5 ± 2.5 mas yr{sup -1}. For the seventh, these two quantities could not be measured. These distributions are consistent with a Galactic bulge population of very low mass (VLM) hosts near the hydrogen-burning limit. This conjecture could be verified by imaging at first adaptive optics light on next-generation (30 m) telescopes. Based on a preliminary assessment of the sample, “planetary” companions (i.e., below the deuterium-burning limit) are divided into “genuine planets,” formed in their disks by core accretion, and VLM brown dwarfs, which form like stars. We discuss techniques for expanding the sample, which include taking account of the peculiar “anomaly-dominated” morphology of the KMT-2016-BLG-2605 light curve.

74 ATOMIC AND MOLECULAR PHYSICS↗

Portable and Cost-Effective Device for Reliable Detection of Counterfeit and Non-compliant Refrigerants in Diverse Applications

Counterfeit refrigerants pose significant challenges to safety, system reliability, and operational effectiveness due to their harmful contaminants or incompatible chemical compositions. Utilizing these noncompliant products can lead to reduced efficiency, equipment failures, and expensive repairs. Additionally, heightened demand for alternative refrigerants during the industry's transition has created supply gaps, enabling counterfeit products to proliferate. Accurate detection and analysis tools are therefore essential to verify refrigerant authenticity and ensure system integrity in diverse applications. This paper presents the development of a portable device designed for reliable identification and detailed analysis of refrigerant composition. By integrating precision gas sampling, controlled pressure regulation, and automated sensor technology, the device not only detects deviations from standard refrigerant properties but also provides a comprehensive composition breakdown. Pre-calibrated sensors measure the refrigerant gas to identify specific concentrations and contaminants, with an intuitive LED-based indicator system ensuring quick interpretation of results. The user-friendly interface enables operators to select refrigerant types for targeted testing, further enhancing accuracy and usability for field technicians. Comprehensive testing was conducted on mildly flammable A2L refrigerants, showcasing the device’s robustness and adaptability in analyzing composition and detecting discrepancies. The device demonstrated consistent accuracy across a range of refrigerant samples, affirming its reliability in diverse operational environments. Its design minimizes contamination risks during sampling and provides detailed composition results within 90 seconds, ensuring efficient and precise analysis. With a projected price point under $150, the proposed solution delivers affordability alongside its lightweight portability and straightforward operation. Unlike complex and costly alternatives, such as gas chromatography systems, this device provides an accessible option for technicians, customs personnel, and industry operators in need of quick and effective refrigerant verification. Compatible with both current formulations and emerging refrigerant technologies, the device addresses critical counterfeit detection needs across a range of applications. By delivering accurate composition analysis and counterfeit identification, this innovation enhances system performance, safety, and operational reliability in crucial industries.

Cheekatamarla, Praveen [ORNL] (ORCID:0000000248827↗

Protein Conformational States—A First Principles Bayesian Method

Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naïve Bayes classifier from the machine learning community for use on atom-to-atom pairwise contacts. The result is an unsupervised learning algorithm that samples a ‘distribution’ over potential classification schemes. We apply the classifier to a series of test structures and one real protein, showing that it identifies the conformational transition with >95% accuracy in most cases. A nontrivial feature of our adaptation is a new connection to information entropy that allows us to vary the level of structural detail without spoiling the categorization. This is confirmed by comparing results as the number of atoms and time-samples are varied over 1.5 orders of magnitude. Further, the method’s derivation from Bayesian analysis on the set of inter-atomic contacts makes it easy to understand and extend to more complex cases.

97 MATHEMATICS AND COMPUTING↗

High-Resolution Sampling of a River Plume Front with Uncrewed Underwater and Aerial Vehicles

Sampling fast-propagating oceanic features is inherently challenging and demands versatile instrumentation and innovative strategies. This paper introduces a novel sampling strategy designed to capture such phenomena, exemplified by a river plume front. Our method revolves around modifying the preprogrammed pathway of an uncrewed underwater vehicle (UUV) to dynamically track and three-dimensionally sample the evolution of the front. To enable the UUV to follow the feature, we adapt the use of a drifting gateway buoy to be positioned and trapped at the front’s convergence zone, allowing underway navigation relative to the buoy. In our demonstration, we showcase the effectiveness of this strategy by successfully conducting over 30 crossings of a river plume front within a 6-h window. The UUV sensors allowed a comprehensive assessment of key front characteristics, including density, velocity, and turbulence. Supplemental drone footage contributed to the overall picture and facilitated the transformation of the dataset into a front-following reference frame. This article provides an in-depth description of the deployment strategy and required postcollection data processing, including frontal crossing detection, the assessment of the frontal orientation from drone footage, and defining the plume bottom boundaries using backscatter intensity contours.

autonomous observations↗

The Role of Clear Sky Identification in the Study of Cloud Radiative Effects: Combine Analysis from ISCCP and the Scanner of Radiation Budget (ScaRaB)

Since the effect of clouds on the earth's radiation balance is often estimated as the difference of net radiative fluxes at the top of the atmosphere between all situations and monthly averaged clear sky situations of the same regions, a reliable identification of clear sky is important for the study of cloud radiative effects. The Scanner for Radiation Balance (ScaRaB) radiometer on board the Russian Meteor-3/7 satellite provided earth radiation budget observations from March 1994 to February 1995 with two ERBE-Re broad-band longwave and shortwave channels. Two narrow-band channels, in the infrared atmospheric window and in the visible band, have been added to the ScaRaB instrument to improve the cloud scene identification. The International Satellite Cloud Climatology Project (ISCCP) method for cloud detection and determination of cloud and surface properties uses the same narrow-band channels as ScaRaB, but is employed to a collection of measurements at a better spatial resolution of about 5 km. By applying the original ISCCP algorithms to the ScaRaB data, the clear sky frequency is about 5% lower than the one over quasi-simultaneous original ISCCP data, an indication that the ISCCP cloud detection is quite stable. However, one would expect an about 10 to 20% smaller clear sky occurrence over the larger ScaRaB pixels. Adapting the ISCCP algorithms to the reduced spatial resolution of 60 km and to the different time sampling of the ScaRaB data leads therefore to a reduction of a residual cloud contamination. A sensitivity study with time-space collocated ScaRaB and original ISCCP data at a spatial resolution of 1deg longitude x 1deg latitude shows that the effect of clear sky identification method plays a higher role on the clear sky frequency and therefore on the statistics than on the zonal mean values of the clear sky fluxes. Nevertheless, the zonal outgoing longwave fluxes corresponding to ERBE clear sky are in general about 2 to 10 W/sq m higher than those obtained from the ScaRaB adapted ISCCP clear sky identifications. The latter are close to (about 1 W/sq m higher) fluxes corresponding to clear sky regions from original ISCCP data, whereas ScaRaB clear sky LW fluxes obtained with the original ISCCP identification lie about 1 to 2 W/sq m below. Especially in the tropics where water vapor abundance is high, the ERBE clear sky LW fluxes seem to be systematically overestimated by about 4 W/sq m, and SW fluxes are lower by about 5 to 10 W/sq m. However, the uncertainty in the analysis of monthly mean zonal cloud radiative effects is also produced by the low frequency of clear sky occurrence, illustrated when averaging over pixels or even over regions of 4deg longitude x 5deg latitude, corresponding to the spatial resolution of General Circulation Models. The systematic bias in the clear sky fluxes is not reflected in the zonal cloud radiative effects, because the clear sky regions selected by the different algorithms can occur in different geographic regions with different cloud properties.

Rossow, W. B.↗