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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,765 records · Page 98

Modelling hypervelocity impacts into aluminum structures based on LDEF data

Realizing and understanding the effects of the near-Earth space environment on a spacecraft during its mission lifetime is becoming more important with the regeneration of America's space program. Included among these potential effects are the following: erosion and surface degradation due to atomic oxygen impingement; ultraviolet exposure embrittlement; and delamination, pitting, cratering, and ring formation due to micrometeoroid and debris impacts. These effects may occur synergistically and may alter the spacecraft materials enough to modify the resultant crater, star crack, and/or perforation. This study concentrates on modelling the effects of micrometeoroid and debris hypervelocity impacts into aluminum materials (6061-T6). Space debris exists in all sizes, and has the possibility of growing into a potentially catastrophic problem, particularly since self-collisions between particles can rapidly escalate the number of small impactors. We have examined the morphologies of the Long Duration Exposure Facility (LDEF) impact craters and the relationship between the observed impact damage on LDEF versus the existing models for both the natural (micrometeoroid) and manmade (debris) environments in order to better define these environments.

Coombs, C. R.↗

Surface Induced Dissociation Coupled with High Resolution Mass Spectrometry Unveils Heterogeneity of a 211 kDa Multicopper Oxidase Protein Complex

Manganese oxidation is an important biogeochemical process that is largely regulated by bacteria through enzymatic reactions. However, the detailed mechanism is poorly understood due to challenges in isolating and characterizing these unknown enzymes. A manganese oxidase, Mnx, from Bacillus sp. PL-12 has been successfully overexpressed in active form as a protein complex with a molecular mass of 211 kDa. We have recently used surface induced dissociation (SID) and ion mobility-mass spectrometry (IM-MS) to release and detect folded subcomplexes for determining subunit connectivity and quaternary structure. The data from the native mass spectrometry experiments led to a plausible structural model of this multicopper oxidase, which has been difficult to study by conventional structural biology methods. It was also revealed that each Mnx subunit binds a variable number of copper ions. Becasue of the heterogeneity of the protein and limited mass resolution, ambiguities in assigning some of the observed peaks remained as a barrier to fully understanding the role of metals and potential unknown ligands in Mnx. In this study, we performed SID in a modified Fourier transform-ion cyclotron resonance (FTICR) mass spectrometer. The high mass accuracy and resolution offered by FTICR unveiled unexpected artificial modifications on the protein that had been previously thought to be iron bound species based on lower resolution spectra. Additionally, isotopically resolved spectra of the released subcomplexes revealed the metal binding stoichiometry at different structural levels. This method holds great potential for in-depth characterization of metalloproteins and protein–ligand complexes. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Structure of terrestrial impact craters from SIR-B radar data - Preliminary results

The structure in and around the Charlevoix and Deep Bay impact craters was analyzed by comparing SIR-B radar image lineament maps with maps derived from Landsat data and aerial photography. Relationships revealed include the discovery in the Deep Bay lineament distribution of a mode, of slightly different location and size to that determined by aerial photography, which correlates with the regional glacial trend. The Deep Bay regional glacial trend displays a much more prominent signature in the aerial photography than in the radar data, confirming the influence of radar look direction on the interpretation of lineament distribution and orientation. Effects from the impact event are noted in the radar images of both craters, with lineaments of one km or less appearing to be associated with the rim structure.

Fisher, P. C.↗

Parallel compression of data chunks of a shared data object using a log-structured file system

Techniques are provided for parallel compression of data chunks being written to a shared object. A client executing on a compute node or a burst buffer node in a parallel computing system stores a data chunk generated by the parallel computing system to a shared data object on a storage node by compressing the data chunk; and providing the data compressed data chunk to the storage node that stores the shared object. The client and storage node may employ Log-Structured File techniques. The compressed data chunk can be de-compressed by the client when the data chunk is read. A storage node stores a data chunk as part of a shared object by receiving a compressed version of the data chunk from a compute node; and storing the compressed version of the data chunk to the shared data object on the storage node.

97 MATHEMATICS AND COMPUTING↗

The role of data management in discipline-independent data visualization

The common data format (CDF) is described in terms of its support applications for the database management of visualization systems. The CDF is a self-describing data abstraction technique for the storage and manipulation of multidimensional data that are based on block structures. The discipline-independent approach is designed to manage, manipulate, archive, display, and analyze data, and can be applied to heterogeneous equipment communicating different data structures over networks. An improved CDF version incorporates a hyperplane access allowing random aggregate access to subdimensional blocks within a multidimensional variable. The visualization pipeline is also discussed, which controls the flow of data and permits the visualization of different classes of data representation techniques. The system is found to accommodate a large variety of scientific data structures and large disk-based data sets.

Treinish, Lloyd A.↗

Data for: Miscanthus × giganteus changes soil structure and increases maximum water holding capacity

The data provided include results from a comparative study evaluating the impact of Miscanthus × giganteus (miscanthus) versus maize on soil structural properties and maximum water holding capacity (MWHC) across two Iowa sites. The dataset includes MWHC values determined using the Funnel Filter Paper Drainage (FFPD) method, as well as additional measurements of MWHC following structural disruption of the soil to isolate the effect of aggregation. It also contains three-dimensional micro-computed tomography (microCT) data used to quantify total porosity and pore size distribution (PSD) of soil aggregates at a 5 µm resolution. All data are provided as raw replicate-level measurements, organized by site, crop, and depth, along with processed summary files in table form in CSV (.csv) format to support reproducibility and downstream analysis.

Misanthus x giganteus↗

Applications of model structure determination to flight test data

Several statistical and information criteria need to be considered when selecting an adequate model. Incorrect stability and control derivates result from inadequate aerodynamic model structure. Stepwise regression is used to determine the structure for an adequate model. Flight data which covers a nonlinear aerodynamic model range may be analyzed as a single data set or partitioned into several distinct sets. Stepwise regression for model structure detemination and parameter estimation was successfully applied to three aircraft types (single engine general aviation, unaugmented modern jet fighter, jet transport).

Batterson, J. G.↗

Protein structure determination using metagenome sequence data

Filling in the protein fold picture Fewer than a third of the 14,849 known protein families have at least one member with an experimentally determined structure. This leaves more than 5000 protein families with no structural information. Protein modeling using residue-residue contacts inferred from evolutionary data has been successful in modeling unknown structures, but it requires large numbers of aligned sequences. Ovchinnikov et al. augmented such sequence alignments with metagenome sequence data (see the Perspective by Söding). They determined the number of sequences required to allow modeling, developed criteria for model quality, and, where possible, improved modeling by matching predicted contacts to known structures. Their method predicted quality structural models for 614 protein families, of which about 140 represent newly discovered protein folds. Science , this issue p. 294 ; see also p. 248

59 BASIC BIOLOGICAL SCIENCES↗

Modeling of Hidden Structures Using Sparse Chemical Shift Data from NMR Relaxation Dispersion

NMR relaxation dispersion measurements report on conformational changes occurring on the μs-ms timescale. Chemical shift information derived from relaxation dispersion can be used to generate structural models of weakly populated alternative conformational states. Current methods to obtain such models rely on determining the signs of chemical shift changes between the conformational states, which are difficult to obtain in many situations. Here, we use a “sample and select” method to generate relevant structural models of alternative conformations of the C-terminal-associated region of Escherichia coli dihydrofolate reductase (DHFR), using only unsigned chemical shift changes for backbone amides and carbonyls ( 1 H, 15 N, and 13 C'). We find that CS-Rosetta sampling with unsigned chemical shift changes generates a diversity of structures that are sufficient to characterize a minor conformational state of the C-terminal region of DHFR. The excited state differs from the ground state by a change in secondary structure, consistent with previous predictions from chemical shift hypersurfaces and validated by the x-ray structure of a partially humanized mutant of E. coli DHFR (N23PP/G51PEKN). The results demonstrate that the combination of fragment modeling with sparse chemical shift data can determine the structure of an alternative conformation of DHFR sampled on the μs-ms timescale. Such methods will be useful for characterizing alternative states, which can potentially be used for in silico drug screening, as well as contributing to understanding the role of minor states in biology and molecular evolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Learning of networked spreading models from noisy and incomplete data

Recent years have seen a lot of progress in algorithms for learning parameters of spreading dynamics from both full and partial data. Some of the remaining challenges include model selection under the scenarios of unknown network structure, noisy data, missing observations in time, as well as an efficient incorporation of prior information to minimize the number of samples required for an accurate learning. Here, in this work, we introduce a universal learning method based on a scalable dynamic message-passing technique that addresses these challenges often encountered in real data. The algorithm leverages available prior knowledge on the model and on the data, and reconstructs both network structure and parameters of a spreading model. We show that a linear computational complexity of the method with the key model parameters makes the algorithm scalable to large network instances.

97 MATHEMATICS AND COMPUTING↗

VorLap

SAND2025-10210O VorLap is a vortex-induced vibration overlap prediction tool for static structures, such as parked wind turbines and marine turbines encountering fluid flow (water or air movement around them) that may induce vortex-induced vibration. This tool uses precomputed frequency domain data for specific cross-sectional shapes or a generalized shedding model, along with geometric data and structural natural frequency data, to identify areas and conditions where vortex-induced vibration may occur. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Moore, Kevin [Sandia National Lab. (SNL-CA), Liver↗

Reconstruction of the BNB and NuMI Neutrino Bunch Structure with ICARUS

ICARUS serves as the Far Detector of the Short Baseline Neutrino (SBN) program at Fermilab, sitting on-axis on the Booster Neutrino Beam (BNB) and 6$^\circ$ off-axis from the Neutrinos at the Main Injector (NuMI) beam. Neutrinos from both beams inherit the timing sub-structure of their parent proton spills, which is in turn derived from either the Booster's or the Main Injector's synchrotron acceleration. Since neutrino propagation introduces only a constant offset, their timing structure is preserved as they travel. Identifying this structure in data represents a powerful tool for selecting neutrino events and searching for physics beyond the Standard Model (BSM). This poster presents the preliminary reconstruction of the BNB and NuMI neutrino bunch structure with ICARUS data, exploiting only the precise timing of ICARUS optical readout system to both locate and assign a time to each interaction.

43 PARTICLE ACCELERATORS↗