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At least 1,027 records · Page 57

Detection of the SO2 atmosphere on Io with the Hubble Space Telescope

Observations of the trailing hemisphere of Io made with the Faint Object Spectrograph of the Hubble Space Telescope (HST) in March 1992 have resulted in the first detection of atmospheric SO2 absorption bands in the ultraviolet. These observations represent only the third positive means of detection of what is widely believed to be Io's primary atmospheric constituent. Below approximately 2130 A the geometric albedo of the satellite is dominated by SO2 gas absorption band signatures, which have been analyzed using models that include the effects of optical thickness, temperature, and spatial distribution. The disk-intergrated HST data cannot resolve the spatial distribution, but it is possible to define basic properties and set constraints on the atmosphere at the time of the observations. Hemispheric atmospheres with average column density N = 6 - 10 x 10(exp 15)/sq sm and T(gas) = 110 - 500 K fit the data, with preference for temperatures of approximately 200 - 250 K. Better fits are found as the atmosphere is spatially confined, with a limit of approximately 8% hemispheric areal coverage and N approximately equal to 3 x 10(exp 17)/sq cm with colder 110 - 250 K temepratures. A dense (N greater than or equal to 10(exp 16)/sq cm), localized component of SO2 gas, such as that possibly associated with active volcanoes, can generate the observed spectral constrast only when the atmosphere is cold (110 K) and an extended component such as Pele is included. The combination of a dense, localized atmosphere with a tenuous component (N less than 10(exp 16)/sq cm, either patchy or extended) also fits the data. In all cases the best fit models imply a disk-averaged column density larger than exospheric but approximately 10 - 30 times less than the previous upper limit from near-UV observations.

Ballester, G. E.↗

Performance of reanalysis and mesoscale models off the coast of Hawai'i

The eastern Hawai'i coast in the United States is characterized by considerable wind resource fuelled by persistent trade winds, making it an important area for energy research. The need is strong for reanalyses and higher-resolution regional simulations where observations have been historically limited, such as Hawai'i's offshore environments. However, studies using offshore observations in other parts of the world have shown that significant errors can occur in reanalyses and wind datasets, which can lead to inaccurate estimates of wind energy generation, payback periods, and extreme weather risks at project locations. The degree of such errors is influenced by a number of factors, including spatial resolution and the handling of processes within the planetary boundary layer (PBL). In this work, we provide a wind resource characterization from year-long lidar buoy measurements off the eastern coast of O'ahu, Hawai'i, an environment previously unobserved at the rotor level, and use the characterization to evaluate the performance of two simulation datasets. The O'ahu deployment location is meteorologically unique and less complex than land-based wind resource characterizations, being strongly characterized by trade winds with minimal land–atmosphere interaction influences. Despite the unique and fairly consistent meteorological conditions, we hypothesize that distinct simulation datasets will exhibit diverse ranges of errors similar to those that have been seen for other offshore locations. We find the European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis version 5 (ERA5) to strongly underestimate observed wind speeds at the O'ahu location (bias = −1.54 m s −1 at a height of 140 m above sea level), while a regional Weather Research and Forecasting Model (WRF) simulation produced by the University of Hawai'i (UH-WRF) provides a significantly smaller wind speed bias (−0.25 m s −1 ), highlighting the value of running regional, higher-resolution simulations. The large bias noted for ERA5 is driven by significant underestimation of fast wind speeds (>9 m s −1 ), which the study site is largely characterized by, along with discontinuities in the ERA5 diurnal cycle. We also speculate that the relative sparsity of observations for data assimilation in this remote part of the world could influence the performance of ERA5 and that challenges with characterizing island effects could impact the performance of both datasets.

17 WIND ENERGY↗

Anisotropic Solar Wind Sputtering of the Lunar Surface Induced by Crustal Magnetic Anomalies

The lunar exosphere is generated by several processes each of which generates neutral distributions with different spatial and temporal variability. Solar wind sputtering of the lunar surface is a major process for many regolith-derived species and typically generates neutral distributions with a cosine dependence on solar zenith angle. Complicating this picture are remanent crustal magnetic anomalies on the lunar surface, which decelerate and partially reflect the solar wind before it strikes the surface. We use Kaguya maps of solar wind reflection efficiencies, Lunar Prospector maps of crustal field strengths, and published neutral sputtering yields to calculate anisotropic solar wind sputtering maps. We feed these maps to a Monte Carlo neutral exospheric model to explore three-dimensional exospheric anisotropies and find that significant anisotropies should be present in the neutral exosphere depending on selenographic location and solar wind conditions. Better understanding of solar wind/crustal anomaly interactions could potentially improve our results.

exosphere↗

Integrating Characteristic Arctic Vegetation in a Land Surface Model Improves Representation of Carbon Dynamics Across a Tundra Landscape: Modeling Archive

This modeling archive is in support of the Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) publication "Integrating Characteristic Arctic Vegetation in a Land Surface Model Improves Representation of Carbon Dynamics Across a Tundra Landscape", by Murphy et al. (2025). This archive contains model input files and outputs from landscape-scale simulations conducted using ELM, the land model component of the Department of Energy’s Energy Exascale Earth System Model (E3SM), at the Council NGEE Arctic field site (Council Road mile marker 71) on Alaska’s Seward Peninsula. Input data and model output from two sets of ELM simulations are provided. The first set of simulations were conducted with the two default ELM Arctic plant functional types (PFTs; broadleaf deciduous boreal shrub and a C3 grass) and the second set of simulations were conducted with a set of nine Arctic-specific PFTs including nonvascular mosses and lichens, graminoids, forbs, evergreen dwarf shrubs, three height classes of deciduous shrubs (dwarf, low, and low to tall), and deciduous alder shrubs (Sulman et al., 2021). Parameter names and major parameter changes in the Arctic-specific PFT configuration are described in Sulman et al. (2021) and archived in the Sulman et al. (2021) dataset (see below). Simulations were spatially explicit, covering an approximately 6.4X3.3 km domain at the Council site with a spatial resolution of 100 m for a total of 2,112 simulated grid cells under each ELM PFT configuration. The modeling archive contains meteorological forcing (seven *.nc files and one *.txt file), a domain definition file (one *.nc files), land surface configuration files (two *.nc files), parameter files (two *.nc files), annual ELM output files spanning 1980-2014 (68 *.nc files), and a User’s Guide (*pdf file). Additional information on the provided files is in the “Modeling Archive Contents” section of the User’s Guide. Model outputs are aggregated to the column scale (i.e. PFT-specific outputs are not provided here).

Murphy, Bailey [ORNL] (ORCID:0000000203995221)↗

Explicit physics-informed neural networks for nonlinear closure: The case of transport in tissues

In upscaling methods, closures for nonlinear problems present a well-known challenge. While a number of theoretical methods have been proposed for handling such closures, nonlinearities still remain a significant obstacle for many problems. In this work, we use a combination of formal upscaling and data-driven machine learning for explicitly closing a nonlinear transport and reaction process in multiscale tissues. The classical effectiveness factor model is used to formulate the macroscale reaction kinetics. We train a multilayer perceptron network using training data generated by direct numerical simulations over microscale examples. Once trained, the network is used in an algorithm for numerically solving the upscaled (coarse-grained) differential equation describing mass transport and reaction in two example tissues. The network is described as being explicit in the sense that the network is trained using macroscale concentrations and gradients of concentration as components of the feature space rather than incorporating them as part of a constraint in the optimization process. Network training and solutions to the macroscale transport equations were computed for two different tissues. The two tissue types (brain and liver) exhibit markedly different geometrical complexity and spatial scale (cell size and sample size). The upscaled solutions for the average concentration are compared with numerical solutions derived from the microscale concentration fields by a posteriori averaging. There are three outcomes of this work of particular note. 1) Our overall approach results in an upscaled nonlinear PDE. The PDE is closed using a neural network, and our approach results in the definition of the classical effectiveness factor for effecting closure. 2) We identify particular source terms for the closure problem that are important for representing the structure of the closure. These source terms involve macroscale concentrations and their gradients. We adopt these source terms to use as explicit features in the learning algorithm. We find the trained networks that include the macroscale source terms generate models that are able to predict the correction factor with increased fidelity over those that do not. 3) We find that the trained network exhibits good generalizability, and it is able to predict the effectiveness factor with high fidelity for realistically-structured tissues despite the significantly different scale and geometrical complexity of the two example tissue types. This latter result emphasizes our purposeful connection between conventional averaging methods with the use of machine learning for closure; this contrasts with some machine learning methods for upscaling where the exact form of the macroscale equation remains unknown.

97 MATHEMATICS AND COMPUTING↗

Description and Evaluation of a New Deep Convective Cloud Model Considering In-cloud Inhomogeneity

Convections still need to be parameterized in general circulation models (GCMs) in the coming decades. Performances of GCMs are significantly influenced by the convection schemes used. In contrast to most conventional cloud models that ignore in-cloud inhomogeneities, a new convective cloud model explicitly considering in-cloud inhomogeneities is developed. The new model adopts a single bulk plume approach, but divides the plume into a series of interacting sub-plumes in order to mimic the transition from the plume core to its edges. We implemented the new cloud model in NCAR Community Atmosphere Model version 5.0 (CAM5) and evaluated its performance. Single-column tests show a stronger mass flux profile and low-level detrainment with the new model. In global simulations, the long-lasting wet bias in the tropical free troposphere of CAM5 is alleviated. Spatial pattern and intensity distribution of precipitation is improved, but the global hydrological cycle is slightly over-enhanced. The diurnal cycle of tropical precipitation is also better captured though the precipitation peak still occurs earlier than the observations and the amplitude of the cycle tends to weaken. MJO simulation is slightly improved with the new scheme. In addition, the new cloud model generated more tropical cyclones, in better agreement with observations.

54 ENVIRONMENTAL SCIENCES↗

On production and asymmetric focusing of flat electron beams using rectangular capillary discharge plasmas

A method for the asymmetric focusing of electron bunches, based on the active plasma lensing technique is proposed. Our method takes advantage of the strong inhomogeneous magnetic field generated inside the capillary discharge plasma to focus the ultrarelativistic electrons. The plasma and magnetic field parameters inside the capillary discharge are described theoretically and modeled with dissipative magnetohydrodynamic computer simulations enabling analysis of the capillaries of rectangle cross-sections. We could use large aspect ratio rectangular capillaries to transport electron beams with high emittance asymmetries, as well as assist in forming spatially flat electron bunches for final focusing before the interaction point.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Stabilizing Non-Abelian Topological Order Against Heralded Noise via Local Lindbladian Dynamics

An important open question for the current generation of highly controllable quantum devices is understanding which phases can be realized as stable steady states under local quantum dynamics. In this work, we show how robust steady-state phases with both Abelian and non-Abelian mixed-state topological order can be stabilized, in two spatial dimensions, against generic “heralded” noise using active dynamics that incorporate measurement and feedback, modeled as a fully local Lindblad master equation. These topologically ordered steady states are two-way connected to pure topologically ordered ground states using local quantum channels, and preserve quantum information for a time that is exponentially large in the system size. Specifically, we present explicit constructions of families of local Lindbladians for both Abelian (ℤ 2 ) and non-Abelian (𝐷 4 ) topological order whose steady states host mixed-state topological order when the noise is below a threshold strength. As the noise strength is increased, these models exhibit first-order transitions to intermediate mixed-state phases where they encode robust classical memories, followed by (first-order) transitions to a trivial steady state at high noise rates. When the noise is imperfectly heralded, steady-state order disappears but our active dynamics significantly enhances the lifetime of the encoded logical information. To carry out the numerical simulations for the non-Abelian 𝐷 4 case, we introduce a generalized stabilizer tableau formalism that permits efficient simulation of the non-Abelian Lindbladian dynamics.

Monte Carlo methods↗

MultiLoad-GAN: A GAN-Based Synthetic Load Group Generation Method Considering Spatial-Temporal Correlations

This paper presents a deep-learning framework, Multi-load Generative Adversarial Network (MultiLoad-GAN), for generating a group of synthetic load profiles (SLPs) simultaneously. The main contribution of MultiLoad-GAN is the capture of spatial-temporal correlations among a group of loads that are served by the same distribution transformer. This enables the generation of a large amount of correlated SLPs required for microgrid and distribution system studies. Here, the novelty and uniqueness of the MultiLoad-GAN framework are three-fold. First, to the best of our knowledge, this is the first method for generating a group of load profiles bearing realistic spatial- temporal correlations simultaneously. Second, two complementary realisticness metrics for evaluating generated load profiles are developed: computing statistics based on domain knowledge and comparing high-level features via a deep-learning classifier. Third, to tackle data scarcity, a novel iterative data augmentation mechanism is developed to generate training samples for enhancing the training of both the classifier and the MultiLoad-GAN model. Simulation results show that MultiLoad- GAN can generate more realistic load profiles than existing approaches, especially in group level characteristics. With little finetuning, MultiLoad-GAN can be readily extended to generate a group of load or PV profiles for a feeder or a service area.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Generating Accurate Urban Area Maps from Nighttime Satellite (DMSP/OLS) Data

There has been an increasing interest by the international research community to use the nighttime acquired "city-lights" data sets collected by the US Defense Meteorological Satellite Program's Operational Linescan system to study issues relative to urbanization. Many researchers are interested in using these data to estimate human demographic parameters over large areas and then characterize the interactions between urban development , natural ecosystems, and other aspects of the human enterprise. Many of these attempts rely on an ability to accurately identify urbanized area. However, beyond the simple determination of the loci of human activity, using these data to generate accurate estimates of urbanized area can be problematic. Sensor blooming and registration error can cause large overestimates of urban land based on a simple measure of lit area from the raw data. We discuss these issues, show results of an attempt to do a historical urban growth model in Egypt, and then describe a few basic processing techniques that use geo-spatial analysis to threshold the DMSP data to accurately estimate urbanized areas. Algorithm results are shown for the United States and an application to use the data to estimate the impact of urban sprawl on sustainable agriculture in the US and China is described.

Imhoff, Marc↗

NREPS Applications for Water Supply and Management in California and Tennessee

Management of water resources is a balancing act between temporally and spatially limited sources and competitive needs which can often exceed the supply. In order to manage water resources over a region such as the San Joaquin Valley or the Tennessee River Valley, it is pertinent to know the amount of water that has fallen in the watershed and where the water is going within it. Since rain gauge networks are typically sparsely spaced, it is typical that the majority of rainfall on the region may not be measured. To mitigate this under-sampling of rainfall, weather radar has long been employed to provide areal rainfall estimates. The Next-Generation Weather Radars (NEXRAD) make it possible to estimate rainfall over the majority of the conterminous United States. The NEXRAD Rainfall Estimation Processing System (NREPS) was developed specifically for the purpose of using weather radar to estimate rainfall for water resources management. The NREPS is tailored to meet customer needs on spatial and temporal scales relevant to the hydrologic or land-surface models of the end-user. It utilizes several techniques to mitigate artifacts in the NEXRAD data from contaminating the rainfall field. These techniques include clutter filtering, correction for occultation by topography as well as accounting for the vertical profile of reflectivity. This presentation will focus on improvements made to the NREPS system to map rainfall in the San Joaquin Valley for NASA s Water Supply and Management Project in California, but also ongoing rainfall mapping work in the Tennessee River watershed for the Tennessee Valley Authority and possible future applications in other areas of the continent.

Gatlin, P.↗

A new probe concept for internal pipework inspection - 241

The interior visual inspection of nuclear pipework is a critical inspection activity required to ensure the continued safe, reliable operation of plant and thus avoid costly outages. Typically, the video output from a manually deployed probe is viewed by an operator online with the task of identifying and estimating the location of surface defects such as cracks, corrosion and pitting. However, it is very difficult to estimate the nature and spatial extent of defects from the often disorientating small field of view video of a relatively large structure. This work describes a new visual inspection system incorporating a wide field of view machine vision camera and additional sensors designed for inspecting 3 - 6 inch diameter pipes. The output of the system is a photorealistic model of the internal surface of the pipework. The generation of this model relies upon a core component of the system in the form of image feature extraction which estimates camera location. This paper considers the accuracy of this estimation as a function of the number and configuration of the extracted image features. (authors)

42 ENGINEERING↗

Predicting mesoscale spectral thermal conductivity using advanced deterministic phonon transport techniques

We present a review, demonstration and simulation of phonon transport for the purposes of predicting materials performance at the mesoscale. We focus primarily on the development and implementation of a unified methodology to enable predictive heat transport. We report on the current state of the art as it pertains to deterministic phonon transport methodologies, discussing various topics concerning phonons. In application, we focus on the Self-Adjoint Angular Flux (SAAF) formulation of the Boltzmann transport equation for phonons, and develop the spatial, angular, and material property discretization required to accurately simulate the predictive physics of heat transport in dielectrics. We discuss thermal interfacial resistance and present our formulation of the diffuse mismatch model for simulating phonon interactions at internal boundaries. We have recently developed a deterministic, spectral phonon transport method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$), using Bose-Einstein source terms coupled through an average material temperature. In this method, we introduce a closure term to the phonon transport system which acts as a redistribution function for the total energy of the system, and serves as a guide for the amount of non-equilibrium behavior occurring in the system. This method predicts thermal conductivity and equilibrium temperature distributions in homogeneous and heterogeneous materials using data generated by ab initio density functional theory methods. We employ polarization, density of states and full dispersion spectra to resolve thermal conductivity with numerous angular and spatial discretizations. Our implementation utilizes a Richardson iteration on a modified version of the phonon scattering source. The equations associated with this method are solved via a modification of traditional source iteration. We compare the performance of source iteration applied to an existing uncoupled, traditional SAAF method to our new method and comment on the iterative performance of each. We observe ballistic and diffusive phonon scattering as acoustic thickness of the domain changes, and are able to make comparisons between the accuracy and efficiency of both methods.

36 MATERIALS SCIENCE↗

Development and evaluation of a list mode neutron coincidence collar for spatial response measurements of fresh fuel assemblies

A traditional safeguards neutron coincidence counting system, the Neutron Coincidence Collar, has been modified to incorporate individual preamplifiers on each of its 18 3He tubes in active interrogation mode. When used with list mode data acquisition (LMDA) and analysis, a signal from each 3He tube can be recorded and analyzed to allow a spatial response measurement to be performed on an item based on count rate and 3He tube location within the system. The ultimate goal of this project is to demonstrate the capabilities of a list mode response matrix for the nondestructive assay of fresh nuclear fuel assemblies. To enable partial defect detection of fuel pin locations and absences within an assembly, the project aims to extend well-established correlated neutron analysis techniques on a preexisting Neutron Coincidence Collar by extracting a greater number of useful signatures from the system than are currently generated. LMDA, combined with the addition of multiple preamplifiers, facilitates this capability by increasing the number of simultaneous signals that can be measured; this allows an in-depth analysis of neutron coincidence events to determine a fissioning item’s location based on the measured doubles count rate in various channel logic coincidence combinations. All of this can be done from a single measurement pulse train in offline analysis, which is the major benefit provided by LMDA. Through various stages of development and testing, a Mirion Technologies model JCC-71 Neutron Coincidence Collar has been successfully retrofit with modern electronics designed in-house at Oak Ridge National Laboratory, matching preexisting JAB-01 electronics performance, while maintaining the original system footprint. This paper presents these various stages of development and experimental evaluation of the proof of concept system.

Moore, Angela S.↗

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis - Simulated Marine Hydrokinetic Tidal Turbine

The U.S. Department of Energy and National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis, hydrogen compression and storage, and variable hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) initiative. This dataset is part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with other energy technologies. This dataset contains inputs and outputs from simulations of a floating marine hydrokinetic turbine over approximately half a tidal cycle (~6.6 hours). Inflow conditions were derived from field measurements in Alaska’s Cook Inlet and represent a tidal environment in which the current speed ramps from near 0 m/s to a peak of 3 m/s and back. The original acoustic doppler current profiler dataset is publicly available on the Marine and Hydrokinetic Data Repository. In a full tidal cycle, the flow reverses and the rotor would reorient; this reversal was not modeled. In the Cook Inlet campaign , turbulence intensity was similar in both directions. Two inflow cases are included. In the first case, labeled “raw” in the files, the measured current time series was used directly in the InflowWind module of OpenFAST. Speed and direction were applied as a function of time and elevation, uniformly in the horizontal direction. With full spatial coherence, this approach captures high turbulent variability and results in pronounced power fluctuations, so it is considered a conservative, near-worst-case representation of loading. In the second case, labeled “average” in the files, a 30-minute moving average was applied to extract the slowly varying mean speed. The residual fluctuations about this mean were used to generate spatially varying, full-field turbulence inputs with TurbSim, giving a more physically realistic representation of the inflow across the rotor disk. Two random realizations were used to produce distinct inflow conditions for two OpenFAST simulations representing a two-turbine array. The same turbulence intensity is applied across the full time series, producing larger fluctuations at the start and end, where the mean speed is low. The second case is the more appropriate framework for performance and power assessment but overpredicts turbulence at lower flow speeds and underpredicts it at higher speeds. As the floating platform moves and the rotor changes its x-position, Taylor’s frozen turbulence hypothesis used by InflowWind assumes a constant rather than a time-varying mean velocity, introducing some inaccuracy in the velocity plane sampling. The turbine modeled is the 500-kW Reference Model 1, a horizontal-axis two-bladed hydrokinetic turbine on a four-column floating semisubmersible substructure . Simulations were performed using OpenFAST v4.1 with the Reference Open Source Controller (ROSCO) v2.10. All input files required to reproduce the simulations are included. The electrolyzer is a 1.25-MW proton exchange membrane type MC250 system manufactured by Nel . This unit supports up to 2.5 MW, but NLR has only a single 1.25-MW stack. The datasets report hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. The system controls hydrogen production by varying direct current applied to the stack, from a maximum of 3,000 A to a minimum safe operating current of 300 A, or 10%. Because the current–voltage characteristic changes as the stack ages and efficiency degrades, the actual minimum safe operating power changes over time. The simulated tidal turbine time series data was translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1-Hz. Each zip file represents a single tidal electrolysis experiment and is named: {technology}_{inflow method}_{number of 500 kW tidal turbines connected} For instance, “tidal-500kW-RM1_average_2.zip” is a 6-hour experiment using the 500-kW tidal reference model, scaled by 2x (1-MW) to better match the electrolyzer maximum of 1.25MW, fed with the 30-minute moving average current case. Each zip folder contains the following files: A .csv file of raw data. An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production in kilograms per hour, electrolysis power consumption, and input wave power. A .csv file combines all tidal profiles as "combined_tidal_experiments.csv." A separate experiment, “characterization_200.zip,” shows the MC250 electrolyzer steady-state response with 30-minute load steps over 5 hours and is accessible with this entry.

08 HYDROGEN↗

Oil-Pressure Based Apparatus for In-Situ High-Energy Synchrotron X-Ray Diffraction Studies During Biaxial Deformation

Background: Understanding biaxial loading response at the microstructural level is crucial in helping better design sheet manufacturing processes and calibrate/validate material deformation models. Objective: The objective of this work was to develop a low-cost testing apparatus to probe, with sufficient spatial resolution, the micro-mechanical response of a sheet material in-situ under biaxial loading conditions. Methods: The testing apparatus fabricated as a part of this study operates in a similar fashion to a standard bulge test and uses oil pressure to generate biaxial loading conditions. This biaxial testing apparatus was operated within a synchrotron beamline to characterize the mechanical response of a flash-processed steel sheet using in-situ high-energy X-ray diffraction (XRD) measurements. Further, the GSAS-II package was utilized to develop a workflow for the analysis of the large volume of diffraction data acquired. The workflow was then used to extract the peak position, width, and integrated intensity of the XRD peaks corresponding to the major body-centered cubic phase. Results: The equi-biaxial nature of the loading in the measured area was independently corroborated using experimental (XRD) and simulation (finite element analysis) methods. Furthermore, we discuss the evolution of elastic strain in the major body-centered cubic phase as a function of applied oil pressure and location on the steel sheet. Conclusions: A key advantage of the biaxial apparatus fabricated in this synchrotron study is demonstrated using the results obtained for the flash-processed steel sheet – i.e., mapping the lattice plane-dependent response to biaxial loading for a relatively large sample area in a spatially resolved manner.

36 MATERIALS SCIENCE↗

AlphaFold and Structural Mass Spectrometry Enable Interrogations on the Intrinsically Disordered Regions in Cyanobacterial Light-harvesting Complex Phycobilisome

Intrinsically disordered proteins/regions (IDPRs) are a very large and functionally important class of proteins that participate in weak multivalent interactions in protein complexes. They are recalcitrant for interrogations using X-ray crystallography and cryo-EM. The IDPRs observed at the interface of the photosynthetic pigment protein complexes (PPCs) remain much less clear, e.g., the major cyanobacterial light-harvesting complex (PBS) contains an unstructured PB-loop insertion in the phycocyanobilin domain (PB domain) of ApcE (the largest polypeptide in PBS). Here, a joint platform is built to probe such structural domains. This platform is characterized by two-round progressive justifications of in silico models by using the structural mass spectrometry data. First, the AlphaFold-generated 3D structure of the PB domain (containing PB-loop) was justified in the context of PBS. Second, docking the AlphaFold-generated ApcG (a ligand) into the first-step justified structure (a receptor). The final ligand-receptor complex was then subjected to a second-round justification, again, by using unequivocal isotopically-encoded cross-links identified in LC-MS/MS. This work reveals a full-length PB-loop structure modelled in the PBS basal cylinder, free from any spatial conflicts against the other subunits in PBS. The structure of PB domain highlights the close associations of the intrinsically disordered PB-loop with its binding partners in PBS, including ApcG, another IDPR. The PB-loop region involved in the binding of photosystem II (PSII) is also discussed in the context of excitation energy transfer regulation. Finally, this work calls attention to the highly disordered, yet interrogatable interface between the light-harvesting antenna complexes and the reaction centers.

59 BASIC BIOLOGICAL SCIENCES↗

Building and Running TDAAPS Models: Nudged WRF Hindcasts

This work is a follow-on guide to running the Weather Research and Forecasting (WRF) model from Aur et al, (2018), Building and Running 1 DAAPS Models: IFRF Postdictions. This guide details running WRF in a nudged configuration, where the u and v wind components, temperature, and moisture within a specified spatial and temporal window, are adjusted towards the observations, radiosonde observations in this case, using WRF's observation nudging technique. The primary modification to this methodology from Aur et al. (2018), is the use of the OBSGRID program to generate the nudging files and the updates to the namelist.input file. These steps, combined with those outlined in Aur et al. (2018), will generate a nudged WRF hindcast (or postdiction) simulation.

58 GEOSCIENCES↗