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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Probabilistic Structural Analysis Methods for select space propulsion system structural components (PSAM)

The objective is the development of several modular structural analysis packages capable of predicting the probabilistic response distribution for key structural variables such as maximum stress, natural frequencies, transient response, etc. The structural analysis packages are to include stochastic modeling of loads, material properties, geometry (tolerances), and boundary conditions. The solution is to be in terms of the cumulative probability of exceedance distribution (CDF) and confidence bounds. Two methods of probability modeling are to be included as well as three types of structural models - probabilistic finite-element method (PFEM); probabilistic approximate analysis methods (PAAM); and probabilistic boundary element methods (PBEM). The purpose in doing probabilistic structural analysis is to provide the designer with a more realistic ability to assess the importance of uncertainty in the response of a high performance structure. Probabilistic Structural Analysis Method (PSAM) tools will estimate structural safety and reliability, while providing the engineer with information on the confidence that should be given to the predicted behavior. Perhaps most critically, the PSAM results will directly provide information on the sensitivity of the design response to those variables which are seen to be uncertain.

Cruse, T. A.↗
DOE OSTI2017

Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth

Lectins have been used at length for basic research and clinical applications. New insights into the molecular recognition properties enhance our basic understanding of carbohydrate–protein interactions and aid in the design/development of new lectins. In this study, we used a combination of cell‐based assays, glycan microarrays, and X‐ray crystallography to evaluate the structure and function of the recombinant Bauhinia forficata lectin (BfL). The lectin was shown to be cytostatic for several cancer cell lines included in the NCI ‐60 panel; in particular, it inhibited growth of melanoma cancer cells ( LOX IMVI ) by over 95%. BfL is dimeric in solution and highly specific for binding of oligosaccharides and glycopeptides with terminal N ‐acetylgalactosamine (Gal NA c). BfL was found to have especially strong binding (apparent K d = 0.5–1.0 n m ) to the tumor‐associated Tn antigen. High‐resolution crystal structures were determined for the ligand‐free lectin, as well as for its complexes with three Tn glycopeptides, globotetraose, and the blood group A antigen. Extensive analysis of the eight crystal structures and comparison to structures of related lectins revealed several unique features of Gal NA c recognition. Of special note, the carboxylate group of Glu126, lining the glycan‐binding pocket, forms H‐bonds with both the N ‐acetyl of Gal NA c and the peptide amido group of Tn antigens. Stabilization provided by Glu126 is described here for the first time for any Gal NA c‐specific lectin. Taken together, the results provide new insights into the molecular recognition of carbohydrates and provide a structural understanding that will enable rational engineering of BfL for a variety of applications. Database Structural data are available in the PDB under the accession numbers 5T50 , 5T52 , 5T55 , 5T54 , 5T5L , 5T5J , 5T5P , and 5T5O .

Lubkowski, Jacek↗
DOE OSTI2014

In-situ neutron diffraction of LaCoO₃ perovskite under uniaxial compression. I. Crystal structure analysis and texture development

The dynamics of texture formation, changes in crystal structure, and stress accommodation mechanisms have been studied in perovskite-type R3⁻c rhombohedral LaCoO₃ during uniaxial compression using in-situ neutron diffraction. The in-situ neutron diffraction revealed the complex crystallographic changes causing the texture formation and significant straining along certain crystallographic directions during compression, which are responsible for the appearance of hysteresis and non-linear ferroelastic deformation in the LaCoO₃ perovskite. The irreversible strain after the first loading was connected with the appearance of non-recoverable changes in the intensity ratio of certain crystallographic peaks, causing non-reversible texture formation. However, in the second loading/unloading cycle, the hysteresis loop was closed and no further irrecoverable strain appeared after deformation. The significant texture formation is responsible for an increase in the Young's modulus of LaCoO₃ at high compressive stresses, ranging from 76 GPa at the very beginning of the loading to 194 GPa at 900 MPa at the beginning of the unloading curve.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Enabling liquid solvent structure analysis using hard x-ray absorption spectroscopy with a transferrable microfluidic reactor

In this study, a vacuum compatible microfluidic device, system for analysis at the liquid vacuum interface, is integrated to hard x-ray absorption spectroscopy to obtain the local structure of K 3 [Fe(CN) 6 ] in aqueous solutions with three concentrations of 0.5 M, 0.05 M, and 0.005 M. The solutions were sealed in a microchannel 500 µm wide and 300 µm deep in a portable microfluidic device. The Fe K-edge x-ray absorption spectra indicate a presence of Fe(III) in the complex in water, with an octahedral geometry coordinated with 6 C atoms in the first shell with a distance of ~1.92 Å and 6 N atoms in the second shell with a distance of ~3.10 Å. Varying the concentration has no observable influence on the structure of K 3 [Fe(CN) 6 ]. Our results demonstrate the feasibility of using microfluidic based liquid cells in large synchrotron facilities. Using portable microfludic reactors provides a viable approach to enable multifaceted measurements of liquids in the future.

25 ENERGY STORAGE↗
NASA NTRS2018

Structural Analysis Methodology for Space Deployable Structures Using Multi-Body Dynamic Solver

The purpose of this paper is to provide detailed structural analysis implementation for space deployable structures using a multi-body dynamic solver. The selected commercial code is MSC/ADAMS. Four benchmark problems are used to evaluate mechanism motion, frictional contacts, and geometrically non-linear large deformation. This paper examines the software functionality, performance, accuracy and ability to solve the benchmark problems. The discussions covered are related to solver convergence, tracking internal force, velocity and acceleration of different parts in each model and comparing results to closed form solutions if available.

Montazersadgh, Farzin↗
DOE OSTI2014

Structural Analysis of N- and O-glycans Using ZIC-HILIC/Dialysis Coupled to NMR Detection

Protein glycosylation, an important and complex post-translational modification (PTM), is involved in various biological processes including the receptor-ligand and cell-cell interaction, and plays a crucial role in many biological functions. However, little is known about the glycan structures of important biological complex samples, and the conventional glycan enrichment strategy (i.e., size-exclusion column [SEC] separation,) prior to nuclear magnetic resonance (NMR) detection is time-consuming and tedious. In this study, we employed SEC, Zwitterionic hydrophilic interaction liquid chromatography (ZIC-HILIC), and ZIC-HILIC coupled with dialysis strategies to enrich the glycopeptides from the pronase E digests of RNase B, followed by NMR analysis of the glycoconjugate. Our results suggest that the ZIC-HILIC enrichment coupled with dialysis is the most efficient, which was thus applied to the analysis of biological complex sample, the pronase E digest of the secreted proteins from the fungi Aspergillus niger. The NMR spectra revealed that the secreted proteins from A. niger contain both N-linked glycans with a high-mannose core and O-linked glycans bearing mannose and glucose with 1->3 and 1->6 linkages. In all, our study provides compelling evidence that ZIC-HILIC separation coupled to dialysis is superior to the commonly used SEC separation to prepare glycopeptides for the downstream NMR analysis, which could greatly facilitate the future NMR-based glycoproteomics research.

A.niger↗
NASA NTRS2019

Aircraft Conceptual Structural Design Using the AMMIT Structural Analysis Tool

Aircraft conceptual structural design is the process of developing and refining an idea for an aircraft into a feasible structural design. The process typically involves multiple evaluations of a single configuration and can require designers to examine thousands of concepts. Standard approaches to conducting structural analyses in this phase are either based on the use of historical or empirical data or often require significant expertise in structural analysis to perform these rapid assessments. The AMMIT structural analysis tool includes structural line models and handbook methods wrapped in a simple to use interface that can enable rapid, physics-based structural designs without requiring extensive structural expertise. The objectives of the present paper are to introduce AMMIT, describe the methods used in AMMIT, and present the results of the validation effort. Validation of the AMMIT methodology was performed on nine aircraft to determine the accuracy of the methods, highlight features of AMMIT, and guide future development of the methodology. Results of the validation effort indicated that AMMIT provides a prediction of primary structural weight for each aircraft with an acceptable level of error during the preliminary design phase with a minimal expenditure of computational resources.

Horvath, Bryce L.↗
NASA NTRS1987

Probabilistic Structural Analysis Methods (PSAM) for select space propulsion system structural components

The objective is the development of several modular structural analysis packages capable of predicting the probabilistic response distribution for key structural variables such as maximum stress, natural frequencies, transient response, etc. The structural analysis packages are to include stochastic modeling of loads, material properties, geometry (tolerances), and boundary conditions. The solution is to be in terms of the cumulative probability of exceedance distribution (CDF) and confidence bounds. Two methods of probability modeling are to be included as well as three types of structural models - probabilistic finite-element method (PFEM); probabilistic approximate analysis methods (PAAM); and probabilistic boundary element methods (PBEM). The purpose in doing probabilistic structural analysis is to provide the designer with a more realistic ability to assess the importance of uncertainty in the response of a high performance structure. Probabilistic Structural Analysis Method (PSAM) tools will estimate structural safety and reliability, while providing the engineer with information on the confidence that should be given to the predicted behavior. Perhaps most critically, the PSAM results will directly provide information on the sensitivity of the design response to those variables which are seen to be uncertain.

Cruse, T. A.↗
DOE OSTI2018

Atomic layer deposition of 2D and 3D standards for synchrotron-based quantitative composition and structure analysis methods

Atomic layer deposition (ALD) is a scalable deposition technique known for producing uniform, conformal films of a wide range of compounds on nearly any substrate material. These traits make it an ideal deposition method for producing films to replace the National Institute of Standards and Technology (NIST) standards and create Standard Reference Materials (SRMs) on a wide range of relevant two-dimensional and three-dimensional substrates. The use of SRM from NIST for quantitative analysis of chemical composition using synchrotron based x-ray fluorescence (SR-XRF) and scanning transmission x-ray microscopy (STXM) is common. Such standards, however, can suffer from inhomogeneity in chemical composition and thickness and often require further calculations, based on sample mounting and detector geometry, to obtain quantitative results. These inhomogeneities negatively impact the reproducibility of the measurements and the quantitative measure itself. Utilizing Rutherford backscattering, x-ray reflectivity, quartz crystal microbalance, STXM, and SR-XRF, the authors show that ALD is capable of producing high quality standards that are homogenous over scales ranging from nanometers to 100s of micrometers.

Becker, Nicholas G.↗
DOE OSTI2021

Structural Analysis of K 4 Fe(CN) 6 ·3H 2 O, K 3 Fe(CN) 6 and Prussian Blue

XRD and XAS were used to characterize the bulk structure, while XPS was used to characterize the surface structure, of commercially obtained nominally K 4 Fe(CN) 6 ·3H 2 O, K 3 Fe(CN) 6 and our synthesized Prussian Blue (PB) material. K 4 Fe(CN) 6 ·3H 2 O was found to consist of a fully hydrated phase, which crystallizes in the monoclinic form and a less hydrated or anhydrous phase which crystallizes in the orthorhombic form. K 3 Fe(CN) 6 was found to consist of the well-established orthorhombic form rather than the monoclinic form. The structure of our synthesized Prussian Blue (PB) was found to be consistent with that reported for (KOH) 0.7 Fe(III) 1.33 Fe(II)(CN) 6 ·4.0H 2 O which crystallizes in the cubic form. XPS and XAS confirmed the presence of ferrous Fe(II) at the surface and bulk levels in K 4 Fe(CN) 6 ·xH 2 O. However, XPS revealed the presence of Fe(II) (~30%) and Fe(III) (~70%) in the surface region of K 3 Fe(CN) 6 while XAS confirmed the presence of mostly Fe(III) at the bulk level. Both XPS and XANES confirmed the presence of Fe(II) and Fe(III) in the surface and bulk regions of PB. We report that this ex situ XAS study will be used to support the analysis of an in situ XAS data collected on a PB containing supercapacitor to understand the mechanistic origin of pseudocapacitance in these devices.

42 ENGINEERING↗