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At least 1,657 records · Page 92

Solving protein structure from sparse serial microcrystal diffraction data at a storage-ring synchrotron source

In recent years, the success of serial femtosecond crystallography and the paucity of beamtime at X-ray free-electron lasers have motivated the development of serial microcrystallography experiments at storage-ring synchrotron sources. However, especially at storage-ring sources, if a crystal is too small it will have suffered significant radiation damage before diffracting a sufficient number of X-rays into Bragg peaks for peak-indexing software to determine the crystal orientation. As a consequence, the data frames of small crystals often cannot be indexed and are discarded. Introduced here is a method based on the expand–maximize–compress (EMC) algorithm to solve protein structures, specifically from data frames for which indexing methods fail because too few X-rays are diffracted into Bragg peaks. The method is demonstrated on a real serial microcrystallography data set whose signals are too weak to be indexed by conventional methods. In spite of the daunting background scatter from the sample-delivery medium, it was still possible to solve the protein structure at 2.1 Å resolution. The ability of the EMC algorithm to analyze weak data frames will help to reduce sample consumption. Furthermore, it will also allow serial microcrystallography to be performed with crystals that are otherwise too small to be feasibly analyzed at storage-ring sources.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Thermal Effects of Pressure Surge and Adiabatic Compression in the Priming of Propulsion and Propellant Transfer Systems

Surge pressures and adiabatic compression during priming of evacuated lines in propulsion and propellant transfer systems has been considered. Test data were obtained for desaturated and saturated water for surge pressures and adiabatic compression for various supply pressures and temperatures. Scaling of surge pressures a t different temperatures has been carried out with the aid of Joukowsky model. The thermal effects associated with surge pressure and the attendant adiabatic compression have been investigated with the a id of a simplified analytical model, which represents an extension of the model developed by Lecourt and Steelant. It has been shown that the predictions from the model compare satisfactorily with test data for a water/helium system, and existing test data for different liquid/gas combinations.

Pressure Surge↗

Elastic Modulus Testing for TriTruss Struts

The TriTruss is a novel structural module developed by researchers at NASA Langley Research Center (LaRC) that can be used in space to assemble large backing structures for a variety of applications. One such application is the metering truss and primary mirror backbone support structure of an in-space assembled telescope(iSAT). For the iSAT application, the TriTruss will be supporting mirror segments, payloads, and instruments, all of which require the TriTruss to have robust structural integrity. An accurate elastic modulus value is crucial to the finite element analysis(FEA) of the structure. Initial testing indicated that the equivalent elastic modulus provided by the manufacturer and used in the analyses did not accurately predict the behavior of the structure. In this paper, the in-house testing method developed at LaRC to accurately measure the equivalent elastic modulus of the composite struts for use in the analyses is described. A tensile and compressive equivalent elastic modulus was computed from the data obtained in this test. The testing resulted in a tensile equivalent elastic modulus of 24.6 Msi (standard deviation of 0.888 Msi) or 169 GPa (standard deviation of 6.20 GPa) and a compressive equivalent elastic modulus of 22.8 Msi (standard deviation of 0.780 Msi) or 157 GPa(standard deviation of 5.38 GPa) for the single wall thickness struts. For double wall thickness struts, the testing resulted in a tensile equivalent elastic modulus of32.1 Msi (standard deviation of 1.003 Msi) or 221 GPa (standard deviation of 6.91GPa) and a compressive equivalent elastic modulus of 31.9 Msi (standard deviation of 1.123) or 220 GPa (standard deviation of 7.74 GPa).1

TriTruss↗

Time-resolved X-ray diffraction diagnostic development for the National Ignition Facility

Here we present the development of an experimental platform that can collect four frames of x-ray diffraction data along a single line of sight during laser-driven, dynamic-compression experiments at the National Ignition Facility. The platform is comprised of a diagnostic imager built around ultrafast sensors with a 2-ns integration time, a custom target assembly that serves also to shield the imager, and a 10-ns duration, quasi-monochromatic x-ray source produced by laser-generated plasma. We demonstrate the performance with diffraction data for Pb ramp compressed to 150 GPa and illuminated by a Ge x-ray source that produces ∼7 × 10 11 , 10.25-keV photons/ns at the 400 μm diameter sample.

36 MATERIALS SCIENCE↗

The Cost of Decarbonization and Energy Upgrade Retrofits for US Homes

Cost is a major barrier when upgrading homes to reduce carbon emissions required to meet DOE’s climate-related goals. This report summarizes a nationwide effort to gather home energy upgrade project cost data along with household energy performance data. The goal was to develop cost benchmarks and to guide future R&D efforts aimed at cost compression and scaling of the residential upgrade market. The cost data were compiled for both total project costs and costs of individual measures. The majority of energy savings were modeled, with some models using measured site data for calibration. The database was analyzed using clustering techniques to find common energy and CO2 reduction approaches. The individual measures were combined into archetypal solutions to determine least-cost approaches to maximizing energy and carbon savings. Several financial analyses were preformed to examine other cost metrics beyond first cost. Project data was obtained for 1,739 projects, from 15 states and 12 energy programs, with a total of 10,512 individual measures. The database includes a wide-array of projects, ranging from single-measure HVAC upgrades to net-zero energy whole home remodels. Projects were predominantly single-family detached dwellings with wood frame construction. Most of the data was obtained from energy programs because they had recorded the necessary information and were willing to share with this study. This sample of convenience can provide broad guidance and national cost benchmarks, but lacks sufficient detail to draw more disaggregated conclusions, such as geographical trends. The majority of data contributions were obtained without compensation from sources where the required data was already in some sort of structured format. We compensated sources to enter data from individual projects into a structured data format for about 500 projects, with an average cost of about $40 per project. The database was highly skewed to lower cost, lower impact projects due to the nature of the sample of convenience. Less than 10% of projects had savings greater than 50%. The cost data for individual measures in the database are being used in other DOE efforts on residential energy use/decarbonization. This data collection effort should continue in order to provide the best-informed guidance for DOE and industry R&D, as well as deployment efforts (including policy and program planning).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Facsimile bandwidth compression using nonlinear analog processing.

A system is presented for reducing the number of picture elements in a scanned image by an order of magnitude while preserving the detail contrast. Starting with high-resolution data a 3 x 3 matrix of input elements is compressed into a single output element using a nonlinear algorithm. Optimum results are obtained by including the data on the outer periphery of the input sample in the processing algorithm thus requiring a 5 x 5 input matrix. Experimental results are presented using weather satellite photographs. This system has application in those cases where the sensor has higher resolution capability than the communication link can support.

Macovski, A.↗

Cross-Cutting Flight Infrastructure Improvements on M2020

Mars2020 (M2020) was formulated as a mission that leveraged as much Mars Science Laboratory (MSL) heritage as possible, while focusing major new development efforts on the original and unique elements needed to accomplish the different mission objectives. Well publicized examples of high profile new developments include precision landing, the sampling and caching system, the specific instrument suite, improved mobility via Autonomous Navigation, and later the addition of the Ingenuity helicopter. Less well known are the refinements to the core flight infrastructure, primarily in the cross-cutting functions of Telecom, Avionics, Data Management, Communications Behaviors, and Parameter Management. These enhancements are introduced predominately via flight software, and represent increases in capability that justified their inclusion in an otherwise heritage-focused project environment.Perseverance’s cross-cutting flight infrastructure improvements fall into and across the following five categories. First is a trimming of the software footprint of infrastructure modules, in order to make room for memory demands elsewhere in the system. Second is the minimization of data volume to be downlinked, through various methods such as the incorporation of new compression options. Third is the maximization of the available downlink bandwidth for data, by curtailing content-less data (fill) and introducing an improved UHF proximity link protocol. Fourth is a reduction in vulnerabilities, through increased file system redundancy, robustness, and software process monitoring. Fifth is an increase in operations efficiency by lowering file system mount times, improving parallelism between simultaneous events, minimizing the time to recover from file system errors, streamlining the purging of obsolete data, and reducing the number of commands to service parameters by a factor of 100.Individually, none of the cross-cutting infrastructure improvements are likely to garner headlines, but collectively they appreciably improve the safety and operability of Perseverance over its predecessor. This paper will describe the improvements, their promise, and where applicable, their actual impact in operations.

Bohannon, Emily↗

Data from: 'Abiotic influences on continuous conifer forest structure across a subalpine watershed'

This package archives the core data used for analysis and inference in 'Abiotic influences on continuous conifer forest structure across a subalpine watershed' (Worsham et al., 2025). All data were collected in the East River, Washington Gulch, Slate River, and Coal Creek watersheds of Colorado. In the paper, we quantified the relative influence of climate, topographic, edaphic, and geologic factors on conifer stand structure and composition, and their functional relationships, at the watershed scale. We used waveform LiDAR data to derive spatially continuous stand structure metrics. We fused these with a species-level classification map to estimate tree species abundance. We applied generalized additive and generalized boosted models to evaluate the covariability of structural and compositional metrics with abiotic variables. The package contains the essential products required for reproducing our analysis and the tables and figures reported in the publication. The products comprise four classes: (1) geospatial data, (2) tabular data used for inferential analysis, (3) tabular data describing analytical results and performance statistics, and (4) a data user guide. (1) includes discretized waveform LiDAR data, locations and attributes of individual tree crowns, sampling locations and domain boundaries, a canopy height model, and raster files of estimated forest structural and compositional metrics at 100 m grid scale. (2) includes all response and explanatory variable values applied in inferential models. Response variables include conifer forest stand density, basal area, 95th percentile height, quadratic mean diameter, and others. Explanatory variables include climatic water deficit, actual evapotranspiration, elevation, heat load, soil available water content, and others. (3) includes results of training and testing several individual tree detection (ITD) algorithms, as well as inferential modeling results. (4) is a PDF user guide for this data package, including detailed descriptions and data dictionaries for all files. The data package root contains 17 assets: 8 compressed tape archive (.tar.gz) files, 5 comma-separated values (.csv) files, 3 Geographic Tagged Image File Format (GeoTIFF) (.tif) files, and 1 Portable Document Format (.pdf) file. The compressed .tar.gz archives contain ESRI shapefiles (.shp) .tif, compressed LASer (.laz), and .csv files. The archives must first be decompressed using the widely distributed command-line software utility TAR. All other files, including constituent files within the .tar.gz archives, can be opened in the open-source R statistical computing environment. Alternatively, .csv files may also be read in any simple text editor software or Microsoft Excel. Geospatial files including .shp and .tif files can also be opened in GIS software, such as QGIS (open-source) or ESRI ArcGIS (proprietary). The .pdf Data User Guide can be read with Adobe Acrobat Reader or other compatible readers.

2018 NEON and 2025 CHESS Campaigns↗

Stability-preserving Lossy Compression for Large-scale Partial Differential Equations

Checkpoint/Restart (C/R) strategies are vital for fault tolerance in PDE-based scientific simulations, yet traditional checkpointing incurs significant I/O overhead. Lossy compression offers a scalable solution by reducing checkpoint data size, but conventional methods often lack control over physical invariants (e.g., energy), leading to instability such as oscillations or divergence in Partial Differential Equations (PDE) systems. This paper introduces a stability-preserving compression approach tailored for PDE simulations by explicitly controlling kinetic and potential energy perturbations to ensure stable restarts. Extensive experiments conducted across diverse PDE configurations demonstrate that our method maintains numerical stability with minimal error magnification—even across multiple checkpoint-restart cycles—outperforming state-of-the-art lossy compressors. Parallel evaluations on the Frontier supercomputer show up to 8.4× improvement in checkpoint write performance and 6.3× in read performance, while maintaining relative L2 errors ∼ 2e-6 throughout continued simulation. These results provide practical guidance for balancing compression accuracy, stability, and computational efficiency in large-scale PDE applications.

Gong, Qian [ORNL] (ORCID:0000000235704142)↗

An analysis of parameter compression and Full-Modeling techniques with Velocileptors for DESI 2024 and beyond

In anticipation of forthcoming data releases of current and future spectroscopic surveys, we present the validation tests and analysis of systematic effects within velocileptors modeling pipeline when fitting mock data from the AbacusSummit N-body simulations. We compare the constraints obtained from parameter compression methods to the direct fitting (Full-Modeling) approaches of modeling the galaxy power spectra, and show that the ShapeFit extension to the traditional template method is consistent with the Full-Modeling method within the standard ΛCDM parameter space. We show the dependence on scale cuts when fitting the different redshift bins using the ShapeFit and Full-Modeling methods. We test the ability to jointly fit data from multiple redshift bins as well as joint analysis of the pre-reconstruction power spectrum with the post-reconstruction BAO correlation function signal. We further demonstrate the behavior of the model when opening up the parameter space beyond ΛCDM and also when combining likelihoods with external datasets, namely the Planck CMB priors. Finally, we describe different parametrization options for the galaxy bias, counterterm, and stochastic parameters, and employ the halo model in order to physically motivate suitable priors that are necessary to ensure the stability of the perturbation theory.

79 ASTRONOMY AND ASTROPHYSICS↗

A burst compression and expansion technique for variable-rate users in satellite-switched TDMA networks

A burst compression and expansion technique is described for asynchronously interconnecting variable-data-rate users with cost-efficient ground terminals in a satellite-switched, time-division-multiple-access (SS/TDMA) network. Compression and expansion buffers in each ground terminal convert between lower rate, asynchronous, continuous-user data streams and higher-rate TDMA bursts synchronized with the satellite-switched timing. The technique described uses a first-in, first-out (FIFO) memory approach which enables the use of inexpensive clock sources by both the users and the ground terminals and obviates the need for elaborate user clock synchronization processes. A continous range of data rates from kilobits per second to that approaching the modulator burst rate (hundreds of megabits per second) can be accommodated. The technique was developed for use in the NASA Lewis Research Center System Integration, Test, and Evaluation (SITE) facility. Some key features of the technique have also been implemented in the gound terminals developed at NASA Lewis for use in on-orbit evaluation of the Advanced Communications Technology Satellite (ACTS) high burst rate (HBR) system.

Budinger, James M.↗

A burst compression and expansion technique for variable-rate users in satellite-switched TDMA networks

A burst compression and expansion technique is described for asynchronously interconnecting variable-data-rate users with cost-efficient ground terminals in a satellite-switched, time-division-multiple-access (SS/TDMA) network. Compression and expansion buffers in each ground terminal convert between lower rate, asynchronous, continuous-user data streams and higher-rate TDMA bursts synchronized with the satellite-switched timing. The technique described uses a first-in, first-out (FIFO) memory approach which enables the use of inexpensive clock sources by both the users and the ground terminals and obviates the need for elaborate user clock synchronization processes. A continuous range of data rates from kilobits per second to that approaching the modulator burst rate (hundreds of megabits per second) can be accommodated. The technique was developed for use in the NASA Lewis Research Center System Integration, Test, and Evaluation (SITE) facility. Some key features of the technique have also been implemented in the ground terminals developed at NASA Lewis for use in on-orbit evaluation of the Advanced Communications Technology Satellite (ACTS) high burst rate (HBR) system.

Budinger, James M.↗

High-pressure structural systematics of dysprosium metal compressed in a neon pressure medium to 182 GPa

Here we present an experimental and theoretical study of dysprosium metal compressed in the soft pressure transmitting medium Ne up to 182 and 300 GPa, respectively. Angle-dispersive x-ray powder diffraction data from each of the high-pressure polymorphs shows anisotropic compression behavior indicating changes to the electron density distribution throughout its polymorphic landscape. We compare the monoclinic (mC4) and orthorhombic (oF16) structures for the collapsed structure for Dy above 82 GPa and verify that the oF16 structure offers a better fit to our data than the previously reported mC4 structure. Further, we have found that the oF16 structure undergoes similar anisotropic compression of its lattice parameters, with a turning point above 160 GPa; suggesting a potential phase transition at pressures much higher than achieved in this study. Density functional theory calculations show the likely candidate for this new high-pressure phase is the isosymmetric oF8 structure, which is predicted to be lower in energy than the oF16 structure above 275 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An Incremental Tensor Train Decomposition Algorithm

We present a new algorithm for incrementally updating the tensor train decomposition of a stream of tensor data. This new algorithm, called the tensor train incremental core expansion (TT-ICE) improves upon the current state-of-the-art algorithms for compressing in tensor train format by developing a new adaptive approach that incurs significantly slower rank growth and guarantees compression accuracy. This capability is achieved by limiting the number of new vectors appended to the TT-cores of an existing accumulation tensor after each data increment. These vectors represent directions orthogonal to the span of existing cores and are limited to those needed to represent a newly arrived tensor to a target accuracy. We provide two versions of the algorithm: TT-ICE and TT-ICE accelerated with heuristics (TT-ICE*). Here, we provide a proof of correctness for TT-ICE and empirically demonstrate the performance of the algorithms in compressing large-scale video and scientific simulation datasets. Compared to existing approaches that also use rank adaptation, TT-ICE* achieves 57× higher compression and up to 95% reduction in computational time.

97 MATHEMATICS AND COMPUTING↗

Diagnostic signature of the compressibility of the inertial-confinement-fusion pusher

In this study, carbon shell areal density measurements from many types of inertial confinement fusion implosions at the National Ignition Facility (NIF) demonstrate that the final state of the outside portion of the shell is set primarily by capsule coast time, the coasting period between main laser shut off and peak fusion output. However, the fuel areal density does not correlate with the increasing carbon compression. While two-dimensional (2D) radiation-hydrodynamic simulations successfully capture the carbon compression, energy must be added to the simulated fuel-ice layer to reproduce fuel areal density measurements. The data presented demonstrates that the degradation mechanisms that reduce the compressibility of the fuel do not reduce the compressibility of the ablator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Nimbus F Random Access Measurement System /RAMS/

In 1974, the Random Access Measurement System (RAMS) will be launched aboard the Nimbus F satellite as part of the Tropical Wind, Energy Conversion, and Reference Level Experiment (TWERLE). This paper describes operation and performance of the RAMS instrument, which will provide a means of tracking and collecting data from a large number of instrumented platforms. In operation, the RAMS will perform satellite onboard processing of up to eight simultaneous platform transmissions, following search and detection of the randomly received platform transmissions in a compressed-time expanded-frequency domain. The processed data is stored aboard the satellite for readout every 108 minutes (orbital period), and platform locational coordinates and/or velocity components are determined in a central ground data processing facility.

Coates, J. L.↗

Robustness of deep learning algorithms in astronomy -- galaxy morphology studies

Deep learning models are being increasingly adopted in wide array of scientific domains, especially to handle high-dimensionality and volume of the scientific data. However, these models tend to be brittle due to their complexity and overparametrization, especially to the inadvertent adversarial perturbations that can appear due to common image processing such as compression or blurring that are often seen with real scientific data. It is crucial to understand this brittleness and develop models robust to these adversarial perturbations. To this end, we study the effect of observational noise from the exposure time, as well as the worst case scenario of a one-pixel attack as a proxy for compression or telescope errors on performance of ResNet18 trained to distinguish between galaxies of different morphologies in LSST mock data. We also explore how domain adaptation techniques can help improve model robustness in case of this type of naturally occurring attacks and help scientists build more trustworthy and stable models.

79 ASTRONOMY AND ASTROPHYSICS↗