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At least 1,009 records · Page 56

Efficient Probabilistic Computing with Stochastic Perovskite Nickelates

Probabilistic computing has emerged as a viable approach to solve hard optimization problems. Devices with inherent stochasticity can greatly simplify their implementation in electronic hardware. In this report we demonstrate intrinsic stochastic resistance switching controlled via electric fields in perovskite nickelates doped with hydrogen. The ability of hydrogen ions to reside in various metastable configurations in the lattice leads to a distribution of transport gaps. With experimentally characterized p-bits, a shared-synapse p-bit architecture demonstrates highly parallelized and energy-efficient solutions to optimization problems such as integer factorization and Boolean satisfiability. The results introduce perovskite nickelates as scalable potential candidates for probabilistic computing and showcase the potential of light-element dopants in next-generation correlated semiconductors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Artificial Replication of Field Soiling Losses on PV Modules

In this paper, we experimentally demonstrate an improved replication of field soiling losses using an indoor artificial soiling chamber and tests on anti-soiling coated PV modules and coupons. The primary focus is to use site-specific soil collected from module surface and replicate the natural soiling processes including dust concentration in the air, slow and gradual dust accumulation and sedimentation on the module surface during the dominant soiling season of the site of interest. The experiments were conducted on two sample sets having different anti-soiling properties. The first set contains commercial modules with two different surface properties retrieved after three years of exposure from a single PV plant in a mid-Atlantic location; the other set contain glass coupons with three different coating materials that were installed and exposed over 4 months, at Lemoore, California. Major field-representative factors considered here for the close replication in the chamber include: the use of dust collected from modules surfaces at the outdoor sites to give the same dust chemistry; dust particle size distribution and concentration; the charge size of dust (< 0.15 g per injection); field humidity, and module temperature. The effectiveness of antisoiling coatings (or surface properties) for both sample sets were ranked in the artificial testing and were found to be closely matching with the field rank orders of the respective sites and sample sets. This paper provides the rank ordering results to objectively demonstrate the replication of field soiling losses in the artificial soiling chamber.

artificial soiling↗

NASA’s Pandora SmallSat Mission: Simulating the Impact of Stellar Photospheric Heterogeneity and Its Correction

Stellar photospheric heterogeneity is a dominant astrophysical systematic impacting exoplanet transmission spectroscopy. NASA’s Pandora SmallSat Mission is designed to address this challenge through contemporaneous visible-band photometry and near-infrared spectroscopy of exoplanet host stars. Here, we present an end-to-end simulation study quantifying Pandora’s ability to infer stellar photospheric properties and correct stellar contamination using out-of-transit observations. We construct eight representative stellar activity scenarios and generate 160 simulated Pandora datasets, incorporating time-dependent stellar spectra, instrument response, and noise. Given accurate models, Bayesian retrievals of joint visible photometry (0.4–0.7 μm) and near-infrared spectroscopy (0.9–1.6 μm, R ≈ 120) recover photospheric temperatures with typical uncertainties of ≈30 K, with no significant bias. Models with two spectral components (i.e., a quiescent photosphere and spots) are strongly favored in 95% of cases; one-component models are preferred when true spot filling factors fall below a detection threshold of ≈0.3%. We propagate the true and inferred stellar parameters to compute true, inferred, and residual contamination signals under physically motivated spot geometries. For simple spot distributions, contamination signals of 10 2 –10 3 ppm are reduced to ≲10 ppm—well below Pandora’s expected transmission spectroscopy precision (30–100 ppm). For more complex spot distributions, geometric degeneracies limit deterministic corrections, leaving residual contamination at the 10 3 ppm level that must be mitigated using additional constraints, such as spot-crossing events and joint stellar–planetary retrievals of transmission spectra. These results define regimes in which stellar contamination can be corrected from stellar observations alone and show how Pandora stellar observations can identify cases where additional information is required.

Astronomy and AstroPhysics↗

Evaluating spectral cloud effective radius retrievals from the Enhanced MODIS Airborne Simulator (eMAS) during ORACLES

Satellite remote sensing retrievals of cloud effective radius (CER) are widely used for studies of aerosol–cloud interactions. Such retrievals, however, rely on forward radiative transfer (RT) calculations using simplified assumptions that can lead to retrieval errors when the real atmosphere deviates from the forward model. Here, coincident airborne remote sensing and in situ observations obtained during NASA's ObseRvations of Aerosols above CLouds and their intEractionS (ORACLES) field campaign are used to evaluate retrievals of CER for marine boundary layer stratocumulus clouds and to explore impacts of forward RT model assumptions and other confounding factors. Specifically, spectral CER retrievals from the Enhanced MODIS Airborne Simulator (eMAS) and the Research Scanning Polarimeter (RSP) are compared with polarimetric retrievals from RSP and with CER derived from droplet size distributions (DSDs) observed by the Phase Doppler Interferometer (PDI) and a combination of the Cloud and Aerosol Spectrometer (CAS) and the Two-Dimensional Stereo Probe (2D-S). The sensitivities of the eMAS and RSP spectral retrievals to assumptions about the DSD effective variance (CEV) and liquid water complex index of refraction are explored. CER and CEV inferred from eMAS spectral reflectance observations of the backscatter glory provide additional context for the spectral CER retrievals. The spectral and polarimetric CER retrieval agreement is case dependent, and updating the retrieval RT assumptions, including using RSP polarimetric CEV retrievals as a constraint, yields mixed results that are tied to differing sensitivities to vertical heterogeneity. Moreover, the in situ cloud probes, often used as the benchmark for remote sensing CER retrieval assessments, themselves do not agree, with PDI DSDs yielding CER values 1.3–1.6 µm larger than CAS and with CEV roughly 50 %–60 % smaller than CAS. Implications for the interpretation of spectral and polarimetric CER retrievals and their agreement are discussed.

Meyer, Kerry [NASA Goddard Space Flight Center (GS↗

Localization and reduction of superconducting quantum coherent circuit losses

Quantum sensing and computation can be realized with superconducting microwave circuits. Qubits are engineered quantum systems of capacitors and inductors with non-linear Josephson junctions. They operate in the single-excitation quantum regime, photons of $27 \mu$eV at 6.5 GHz. Quantum coherence is fundamentally limited by materials defects, in particular atomic-scale parasitic two-level systems (TLS) in amorphous dielectrics at circuit interfaces.[1] The electric fields driving oscillating charges in quantum circuits resonantly couple to TLS, producing phase noise and dissipation. We use coplanar niobium-on-silicon superconducting resonators to probe decoherence in quantum circuits. By selectively modifying interface dielectrics, we show that most TLS losses come from the silicon surface oxide, and most non-TLS losses are distributed throughout the niobium surface oxide. Through post-fabrication interface modification we reduced TLS losses by 85% and non-TLS losses by 72%, obtaining record single-photon resonator quality factors above 5 million and approaching a regime where non-TLS losses are dominant. [1]M\"uller, C., Cole, J. H. & Lisenfeld, J. Towards understanding two-level-systems in amorphous solids: insights from quantum circuits. Rep. Prog. Phys. 82, 124501 (2019)

Altoé, M Virginia P↗

Interpreting the Diurnal Cycle of Clouds and Precipitation in the ARM GoAmazon Observations: Shallow to Deep Convection Transition

The Green Ocean Amazon (GoAmazon) 2014/5 field campaign data are used to study the diurnal cycle of clouds and precipitation. Through a careful classification of days with shallow cumulus, congestus and deep convection, we investigate the major differences among locally generated convection regimes and the most important environmental factors governing the shallow-to-deep convection transition. On shallow cumulus days, a greater sensible heat flux drives deeper boundary layer growth, which entrains drier free-tropospheric air and lowers the relative humidity, thus leading to a significantly higher cloud base than those on days with deeper convection. Congestus and deep convection regimes exhibit distinct cloud top height distributions with noticeable differences in the vertical wind shear in the mid-troposphere, suggesting an important role of wind shear in limiting the vertical extent of convection. On deep convection days, with preexisting nocturnal convection or cold-pools from external disturbances, the timing of peak surface precipitation (12:00–13:00 LST) tends to be in-phase with the diurnal variation in surface fluxes. However, it takes longer for local deep convection to develop without these disturbances. A plume model with thermodynamic and dynamical constraints is developed to explore the relative importance of various convection-controlling factors. Initial cloud-base vertical velocity and buoyancy are important in helping parcels ascend to the level of free convection (LFC). After parcels reach the LFC, entrainment of environmental air and lower free troposphere humidity become crucial in determining cloud top. Entrainment rate differentiates among convection regimes, which may be tied to the cloud size distribution at cloud base.

54 ENVIRONMENTAL SCIENCES↗

Systematic identification of transcriptional activation domains from non-transcription factor proteins in plants and yeast

Transcription factors can promote gene expression through activation domains. Whole-genome screens have systematically mapped activation domains in transcription factors but not in non-transcription factor proteins (e.g., chromatin regulators and coactivators). To fill this knowledge gap, we employed the activation domain predictor PADDLE to analyze the proteomes of Arabidopsis thaliana and Saccharomyces cerevisiae. We screened 18,000 predicted activation domains from >800 non-transcription factor genes in both species, confirming that 89% of candidate proteins contain active fragments. Our work enables the annotation of hundreds of nuclear proteins as putative coactivators, many of which have never been ascribed any function in plants. Analysis of peptide sequence compositions reveals how the distribution of key amino acids dictates activity. Finally, we validated short, "universal" activation domains with comparable performance to state-of-the-art activation domains used for genome engineering. Our approach enables the genome-wide discovery and annotation of activation domains that can function across diverse eukaryotes.

59 BASIC BIOLOGICAL SCIENCES↗

Water-Oil Displacement in Shale: New Insights from a Comparative Study Integrating Imbibition Tests and Multiscale Imaging

Water-oil displacement is an important process that occurs in a shale matrix after hydraulic fracturing and in water-based enhanced oil recovery. Current understanding of this displacement process is limited because of the complicated pore structure and surface properties in shale. In this work, this process and its controlling factors are investigated through a comparative study of three shale samples that have different types of pore systems and wettability. Here, an integrated method of imbibition and multiscale imaging was applied, and a modified oleic tracer that can better represent oil flow was used in imbibition testing and micro-computed tomography (CT) imaging. Scanning electron microscope (SEM) pore characterization was then performed under high magnification with guidance from the micro-CT images showing the changes caused by oil or water imbibition. New insights were obtained on the importance of both wettability and pore size effect on oil recovery and the distribution of residual oil after water-oil displacement. Connectivity of pores with different wettability is also discussed based on 3D analysis and SEM pore characterization. Collectively, these new findings improve the understanding of the complicated process of water-oil displacement and the role of influencing factors. Important implications for improved oil recovery strategy in shale are discussed for different types of reservoir rocks. The integrated imaging and imbibition technique provides a new path for further investigation of improved oil recovery in shale.

04 OIL SHALES AND TAR SANDS↗

Modeling the microplastic distribution along the Delaware River Estuary: Accumulation patterns and hydrodynamic influences

Microplastic pollution is an escalating environmental concern, particularly in densely populated estuary regions, where it poses significant threats to aquatic life and human health. The dispersion patterns of microplastic particles along estuaries are influenced and complicated by multiple environmental factors such as river flow, tidal mixing, salt intrusion, and estuarine circulation. This study examines the accumulation and dispersion patterns by modeling three typical classes of microplastics in the Delaware River Estuary: synthetic fibers, sinking plastic films, and rising plastic pellets. Our findings reveal specific areas with high microplastic accumulation for each type. Notably, the upper estuary regions exhibit significant retention of rising microplastics, associated with a region with reduced along-thalweg velocities downstream of Trenton, NJ and upstream of Philadelphia, PA. Conversely, synthetic fibers and sinking plastic films accumulate in the flow convergence zone near the bottom salinity front, typically downstream of Philadelphia. All of the microplastic accumulation hot spot locations are controlled by the balance of river discharge and salinity intrusions. During the dry season, microplastic accumulation hot spots shift upstream in the estuary, whereas in the wet season, the strong river discharge pushes them downstream. Furthermore, on the other hand, tidal mixing, settling, and resuspension processes strongly impact the spreading of microplastics along the river.

Delaware River Estuary↗

Modeling of the TRIGA IPR-R1 research reactor with the Serpent2/RINNOVO Nodal core analysis package

The Serpent2/RINNOVO nodal core analysis code system, a dedicated tool for modeling research reactors, has the capability to accurately predict important core physics parameters involved in the safety of reactor operation, such as various reactivity coefficients, control rod and bank worths including the shutdown margin, power distributions as well as local neutron flux predictions at various core locations of high importance, e.g., at irradiation rigs. In this work, a hexagonal model of the unrodded initial core of the Brazilian IPR-R1 Mark I type TRIGA nuclear reactor has been created using the Serpent2/RINNOVO code system. The choice of employing a hexagonal core geometry representation has mainly been made to facilitate subsequent fuel shuffling operations and core follow calculations of this reactor. Numerical results in terms of the core eigenvalue and the assembly power distribution have then been compared against corresponding full core Serpent2 results to prove feasibility of using the Serpent2/RINNOVO code system for modeling small and highly heterogeneous TRIGA reactors. Overall, RINNOVO predicts the power distribution very accurately but the eigenvalue error still remains quite large. In light of being the very first evaluation of a TRIGA reactor with the RINNOVO nodal core simulator, these results are also considered to be very preliminary. Improved accuracy is expected by incorporating a proper methodology in the current code system for computing discontinuity factors for multi-assembly configurations. Furthermore, improved results are expected by increasing the number of energy groups used by RINNOVO in these core calculations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Demonstration of MOOSE-based Griffin reactor physics, code for heterogeneous lead-cooled fast reactor analysis

The MOOSE-based reactor physics code Griffin was assessed on a heterogeneous pin-resolved model of a prototype lead-cooled fast reactor assembly. This model was developed in preparation for future use in MOOSE-based multiphysics calculations for computing hot channel factors. Heterogeneous multigroup cross sections were prepared using the fast reactor multi-group cross section processing code MC{sup 2}-3 using a two-step method. Griffin simulations were performed using the DFEM-SN solver on 576 cores on Argonne's LCRC cluster. Diffusion-based acceleration methods were applied (NDA and CMFD). Reference solutions were generated with continuous energy MCNP and the hybrid MOC/finite element solver PROTEUS-MOC for code-to-code comparison. Space-angle convergence studies were conducted to observe convergence in k-eigenvalue and axial pin power distributions. The fully resolved Griffin calculation was within 68 pcm of the MCNP eigenvalue and exhibited max 1.2% relative error in the axial pin power distribution. Griffin produced nearly identical results to PROTEUS-MOC when using the same 9-group multigroup cross-section set. Griffin demonstrated favorable scaling in wall-clock time and memory usage when using diffusion-based acceleration methods. Griffin is capable of simulating the pin-resolved heterogeneous LFR assembly with good accuracy and performance, and is suitable for future use in coupled high-fidelity hot channel factor simulations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SYMBIOSYS: A Methodology for Performance Analysis of Composable HPC Data Services

Microservices are a powerful new way of building, customizing, and deploying distributed services owing to their flexibility and maintainability. Several large-scale distributed platforms have emerged to serve the growing needs of data-centric workloads and services in commercial computing. Concurrently, high-performance computing (HPC) systems and software are rapidly evolving to meet the demands of diversified applications and heterogeneity. The interplay of hardware factors, software configuration parameters, and the flexibility offered with a microservice architecture makes it nontrivial to estimate the optimal service instantiation for a given application workload. Further, this problem is exacerbated when considering that these services operate in a dynamic and heterogeneous HPC environment. An optimally integrated service can be vastly more performant than a haphazardly integrated one. Existing performance tools for HPC either fail to understand the request-response model of communication inherent to microservices or they operate within a narrow scope, limiting the insight that can be gleaned from employing them in isolation. We propose a methodology for integrated performance analysis of HPC microservices frameworks and applications called SYMBIOSYS. We describe its design and implementation within the context of the Mochi framework. This integration is achieved by combining distributed callpath profiling and tracing with a performance data exchange strategy that collects fine-grained, low-level metrics from the RPC communication library and network layers. The result is a portable, low-overhead performance analysis setup that provides a holistic profile of the dependencies among microservices and how they interact with the Mochi RPC software stack. Using HEPnOS, a production-quality Mochi data service, we demonstrate the low-overhead operation of SYMBIOSYS at scale and use it to identify the root causes of poorly performing service configurations.

microservices↗

Twin-screw granulation: Mechanistic understanding of the effect of material properties on key granule quality attributes through the analysis of mixing dynamics and granulation rate mechanisms

This study focuses on understanding the effect of material properties on granule quality attributes through the analysis of mixing dynamics and granulation rate mechanisms. Powder wettability, binder viscosity, and liquid-to-solid (L/S) ratio were the factors that were investigated in this study. Further, the mixing occurring inside the twin-screw granulator (TSG) was quantitatively assessed by obtaining the axial dispersion coefficient from the experimentally measured residence time distribution (RTD) curves. It was observed that the quality of the nuclei fed to the kneading zone significantly affected the mixing dynamics. The quality of nuclei was governed by nucleation kinetics, which in turn was principally affected by the liquid saturation of the nuclei and the ratio of drop penetration time and encounter time, which in turn were affected by the L/S ratio and binder viscosity respectively. The hydrophobicity of the blend mainly affected the extent of nucleation. The type of nuclei entering the kneading zone and mixing dynamics in the TSG also determined whether the granulation growth mechanism was “layering-dominant” or “viscous-dominant”. It was also shown that the resultant granule quality attributes were a reflection of the growth mechanisms. Ultimately, a mechanistic link between material properties, mixing dynamics, granulation rate mechanisms, and granule quality attributes was established.

36 MATERIALS SCIENCE↗

Molecular Origins of Temperature-Dependent X-ray Absorption in YAG:Dy

The absorption and emission of X-rays in dysprosium-doped yttrium aluminum garnet (YAG:Dy) has produced unexpected thermographic behavior, which is investigated using a combination of finite temperature ab initio molecular dynamic simulations, structural characterization, and electronic structure calculations of X-ray characteristics. Calculated average peak X-ray absorption spectra (XAS) from simulations between 300 and 600 K result in peak intensity loss due to thermalization effects, matching experimentally measured behavior of YAG:Dy. Here, investigation of atomic snapshots indicates structural factors that correlated with the X-ray behavior, with the first Y–O coordination sphere identified as the primary structural feature unique to high XAS intensity as calculated by radial and pair distribution functions.

Ab initio molecular dynamics↗

Precise Linker Length and Dynamic Bond Exchange Control Penetrant Diffusion in Dense Vitrimers

Polymer networks with dynamic covalent bonds have been investigated for their self-healing ability, recyclability, and potential as more sustainable materials. Recent results have indicated that in some cases, bond exchange can enhance the transport of penetrants in dense networks, pointing to their potential for separations of membranes. Here, imine dynamic bonds in ethylene oxide (EO) networks with precise linker lengths were synthesized to investigate the transport of N,N′-bis(2,5-di-tert-butylphenyl)-3,4,9,10-perylenedicarboximide (BTBP), a large, anisotropic dye molecule. Networks with mesh sizes smaller than, comparable to, and greater than the size of the penetrant axes were investigated to probe the effects of bond exchange and network confinement on transport. Mesh sizes, which ranged from 0.5 to 1.62 nm, were determined from shear rheology, glass transitions by calorimetry, and probe diffusion coefficients by fluorescence recovery after photobleaching. Permanent networks with identical EO chain lengths were prepared as control samples, and up to a 3 orders of magnitude increase in diffusion coefficient is observed in the dynamic systems for short linkers containing 13 backbone atoms. The longest linkers with 71 backbone atoms show no difference between the permanent and dynamic networks. Linkers shorter than 11 backbone atoms, corresponding to a mesh size smaller than the penetrant small axis, diffusion is no longer observable on the experimental time scale, indicating a sharp cutoff attributed to the precise linkers and narrow mesh size distribution. The dynamic imine exchange time scales were compared to the diffusive hopping times of penetrants and indicate that exchange can occur during a diffusive displacement. Furthermore, these findings provide insights into the factors affecting penetrant transport in dense polymers and inspire the development of next-generation selective polymer membranes.

Diffusion↗

A liquid hydrogen tube moderator arrangement for SNS second target station

Liquid hydrogen filled tubes arranged in a triangular shape surrounded by light-water premoderators were investigated as cold moderators coupled to a neutron production zone of a tungsten target fed by a 1.3 GeV proton beam in a short-pulse mode. A moderator concept optimized for the tube length, premoderator thickness, and target position was found to deliver the highest pulse-integrated neutron brightness suitable to send cold neutron beams for neutron scattering instrumentation geared toward medium resolution and small samples. Reducing the tube diameter from 50 to 10 mm boosts the cold neutron brightness (E < 10 meV) by a factor of 2.25, also with enhancements seen by downsizing the height of cylindrical moderators in earlier studies. Attempts were made to characterize this novel moderator system with regard to pulse shapes, local brightness distribution, and angular distribution of emission at the neutron emission port.

Gallmeier, Franz X. (ORCID:0000000171500764)↗

A deep neural network to search for new long-lived particles decaying to jets

A tagging algorithm to identify jets that are significantly displaced from the proton-proton (pp) collision region in the CMS detector at the LHC is presented. Displaced jets can arise from the decays of long-lived particles (LLPs), which are predicted by several theoretical extensions of the standard model. The tagger is a multiclass classifier based on a deep neural network, which is parameterised according to the proper decay length $\mathrm{c}\tau_0$ of the LLP. A novel scheme is defined to reliably label jets from LLP decays for supervised learning. Samples of pp collision data, recorded by the CMS detector at a centre-of-mass energy of 13 TeV, and simulated events are used to train the neural network. Domain adaptation by backward propagation is performed to improve the simulation modelling of the jet class probability distributions observed in pp collision data. The potential performance of the tagger is demonstrated with a search for long-lived gluinos, a manifestation of split supersymmetric models. The tagger provides a rejection factor of 10 000 for jets from standard model processes, while maintaining an LLP jet tagging efficiency of 30-80% for gluinos with 1 mm $\leq$ $c\tau_0$ $\leq$ 10 m. The expected coverage of the parameter space for split supersymmetry is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗