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At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Silver vanadium diphosphate Ag{sub 2}VP{sub 2}O{sub 8}: Electrochemistry and characterization of reduced material providing mechanistic insights

Silver vanadium phosphorous oxides (Ag{sub w}V{sub x}P{sub y}O{sub z}) are notable battery cathode materials due to their high energy density and demonstrated ability to form in-situ Ag metal nanostructured electrically conductive networks within the cathode. While analogous silver vanadium diphosphate materials have been prepared, electrochemical evaluations of these diphosphate based materials have been limited. We report here the first electrochemical study of a silver vanadium diphosphate, Ag{sub 2}VP{sub 2}O{sub 8}, where the structural differences associated with phosphorous oxides versus diphosphates profoundly affect the associated electrochemistry. Reminiscent of Ag{sub 2}VO{sub 2}PO{sub 4} reduction, in-situ formation of silver metal nanoparticles was observed with reduction of Ag{sub 2}VP{sub 2}O{sub 8}. However, counter to Ag{sub 2}VO{sub 2}PO{sub 4} reduction, Ag{sub 2}VP{sub 2}O{sub 8} demonstrates a significant decrease in conductivity upon continued electrochemical reduction. Structural analysis contrasting the crystallography of the parent Ag{sub 2}VP{sub 2}O{sub 8} with that of the proposed Li{sub 2}VP{sub 2}O{sub 8} reduction product is employed to gain insight into the observed electrochemical reduction behavior, where the structural rigidity associated with the diphosphate anion may be associated with the observed particle fracturing upon deep electrochemical reduction. Further, the diphosphate anion structure may be associated with the high thermal stability of the partially reduced Ag{sub 2}VP{sub 2}O{sub 8} materials, which bodes well for enhanced safety of batteries incorporating this material. - Graphical abstract: Structure and galvanostatic intermittent titration-type test data for silver vanadium diphosphate, Ag{sub 2}VP{sub 2}O{sub 8}. Highlights: ► First electrochemical study of a silver vanadium diphosphate, Ag{sub 2}VP{sub 2}O{sub 8}. ► In-situ formation of Ag{sup 0} nanoparticles was observed upon electrochemical reduction. ► Structural analysis used to provide insight of the electrochemical behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Structure-Function Analysis of Friedreich's Ataxia Mutants Reveals Determinants of Frataxin Binding and Activation of the Fe-S Assembly Complex

Friedreich's ataxia (FRDA) is a progressive neurodegenerative disease associated with the loss of function of the protein frataxin (FXN) that results from low FXN levels due to a GAA triplet repeat expansion or, occasionally, from missense mutations in the FXN gene. Here biochemical and structural properties of FXN variants, including three FRDA missense mutations (N146K, Q148R, and R165C) and three related mutants (N146A, Q148G, and Q153A), were determined in an effort to understand the structural basis for the loss of function. In vitro assays revealed that although the three FRDA missense mutations exhibited similar losses of cysteine desulfurase and Fe-S cluster assembly activities, the causes for these activation defects were distinct. The R165C variant exhibited a k cat /K M higher than that of native FXN but weak binding to the NFS1, ISD11, and ISCU2 (SDU) complex, whereas the Q148R variant exhibited the lowest k cat /K M of the six tested FXN variants and only a modest binding deficiency. The order of the FXN binding affinities for the SDU Fe-S assembly complex was as follows: FXN > Q148R > N146A > Q148G > N146K > Q153A > R165C. Four different classes of FXN variants were identified on the basis of their biochemical properties. Together, these structure-function studies reveal determinants for the binding and allosteric activation of the Fe-S assembly complex and provide insight into how FRDA missense mutations are functionally compromised.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1982

Finite element solution of torsion and other 2-D Poisson equations

The NASTRAN structural analysis computer program may be used, without modification, to solve two dimensional Poisson equations such as arise in the classical Saint Venant torsion problem. The nonhomogeneous term (the right-hand side) in the Poisson equation can be handled conveniently by specifying a gravitational load in a "structural" analysis. The use of an analogy between the equations of elasticity and those of classical mathematical physics is summarized in detail.

Everstine, G. C.↗
NASA NTRS1994

Structural design feasibility study of Space Station long spacer truss

The structural design and configuration feasibility of the long spacer truss assembly that will be used as part of the Space Station Freedom is the focus of this study. The structural analysis discussed herein is derived from the transient loading events presented in the Space Transportation System Interface Control Document (STS ICD). The transient loading events are liftoff, landing, and emergency landing loads. Quasi-static loading events were neglected in this study since the magnitude of the quasi-static acceleration factors is lower than that of the transient acceleration factors. Structural analysis of the proposed configuration of the long spacer truss with four longerons indicated that negative safety margins are possible. As a result, configuration changes were proposed. The primary configuration change suggested was to increase the number of truss longerons to six. The six-longeron truss appears to be a more promising structure than the four-longeron truss because it offers a positive margin of safety and more volume in its second bay (BAY2). This additional volume can be used for resupply of some of the orbital replacement units (such as a battery box). Note that the design effort on the long spacer truss has not fully begun and that calculations and reports of the negative safety margins are, to date, based on concept only.

Armand, Sasan C.↗
NASA NTRS1988

NESSUS (Numerical Evaluation of Stochastic Structures Under Stress)/EXPERT: Bridging the gap between artificial intelligence and FORTRAN

The development of a probabilistic structural analysis methodology (PSAM) is described. In the near-term, the methodology will be applied to designing critical components of the next generation space shuttle main engine. In the long-term, PSAM will be applied very broadly, providing designers with a new technology for more effective design of structures whose character and performance are significantly affected by random variables. The software under development to implement the ideas developed in PSAM resembles, in many ways, conventional deterministic structural analysis code. However, several additional capabilities regarding the probabilistic analysis makes the input data requirements and the resulting output even more complex. As a result, an intelligent front- and back-end to the code is being developed to assist the design engineer in providing the input data in a correct and appropriate manner. The type of knowledge that this entails is, in general, heuristically-based, allowing the fairly well-understood technology of production rules to apply with little difficulty. However, the PSAM code, called NESSUS, is written in FORTRAN-77 and runs on a DEC VAX. Thus, the associated expert system, called NESSUS/EXPERT, must run on a DEC VAX as well, and integrate effectively and efficiently with the existing FORTRAN code. This paper discusses the process undergone to select a suitable tool, identify an appropriate division between the functions that should be performed in FORTRAN and those that should be performed by production rules, and how integration of the conventional and AI technologies was achieved.

Fink, Pamela K.↗
NASA NTRS2002

Examination of Short- and Long-Range Atomic Order Nanocrystalline SiC and Diamond by Powder Diffraction Methods

The real atomic structure of nanocrystals determines unique, key properties of the materials. Determination of the structure presents a challenge due to inherent limitations of standard powder diffraction techniques when applied to nanocrystals. Alternate methodology of the structural analysis of nanocrystals (several nanometers in size) based on Bragg-like scattering and called the "apparent lattice parameter" (alp) is proposed. Application of the alp methodology to examination of the core-shell model of nanocrystals will be presented. The results of application of the alp method to structural analysis of several nanopowders were complemented by those obtained by determination of the Atomic Pair Distribution Function, PDF. Based on synchrotron and neutron diffraction data measured in a large diffraction vector of up to Q = 25 Angstroms(exp -1), the surface stresses in nanocrystalline diamond and SiC were evaluated.

Palosz, B.↗
DOE OSTI2011

Structure-Based Analysis of Toxoplasma gondii Profilin: A Parasite-Specific Motif Is Required for Recognition by Toll-Like Receptor 11

Profilins promote actin polymerization by exchanging ADP for ATP on monomeric actin and delivering ATP-actin to growing filament barbed ends. Apicomplexan protozoa such as Toxoplasma gondii invade host cells using an actin-dependent gliding motility. Toll-like receptor (TLR) 11 generates an innate immune response upon sensing T. gondii profilin (TgPRF). The crystal structure of TgPRF reveals a parasite-specific surface motif consisting of an acidic loop, followed by a long {beta}-hairpin. A series of structure-based profilin mutants show that TLR11 recognition of the acidic loop is responsible for most of the interleukin (IL)-12 secretion response to TgPRF in peritoneal macrophages. Deletion of both the acidic loop and the {beta}-hairpin completely abrogates IL-12 secretion. Insertion of the T. gondii acidic loop and {beta}-hairpin into yeast profilin is sufficient to generate TLR11-dependent signaling. Substitution of the acidic loop in TgPRF with the homologous loop from the apicomplexan parasite Cryptosporidium parvum does not affect TLR11-dependent IL-12 secretion, while substitution with the acidic loop from Plasmodium falciparum results in reduced but significant IL-12 secretion. We conclude that the parasite-specific motif in TgPRF is the key molecular pattern recognized by TLR11. Unlike other profilins, TgPRF slows nucleotide exchange on monomeric rabbit actin and binds rabbit actin weakly. The putative TgPRF actin-binding surface includes the {beta}-hairpin and diverges widely from the actin-binding surfaces of vertebrate profilins.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2002

Preliminary Thermal-Mechanical Sizing of Metallic TPS: Process Development and Sensitivity Studies

The purpose of this research was to perform sensitivity studies and develop a process to perform thermal and structural analysis and sizing of the latest Metallic Thermal Protection System (TPS) developed at NASA LaRC (Langley Research Center). Metallic TPS is a key technology for reducing the cost of reusable launch vehicles (RLV), offering the combination of increased durability and competitive weights when compared to other systems. Accurate sizing of metallic TPS requires combined thermal and structural analysis. Initial sensitivity studies were conducted using transient one-dimensional finite element thermal analysis to determine the influence of various TPS and analysis parameters on TPS weight. The thermal analysis model was then used in combination with static deflection and failure mode analysis of the sandwich panel outer surface of the TPS to obtain minimum weight TPS configurations at three vehicle stations on the windward centerline of a representative RLV. The coupled nature of the analysis requires an iterative analysis process, which will be described herein. Findings from the sensitivity analysis are reported, along with TPS designs at the three RLV vehicle stations considered.

Poteet, Carl C.↗
DOE OSTI2024

Digital Tools for the Preventive Conservation of Built Heritage: The Church of Santa Ana in Seville

Historic Building Information Modelling (HBIM) plays a pivotal role in heritage conservation endeavours, offering a robust framework for digitally documenting existing structures and supporting conservation practices. However, HBIM’s efficacy hinges upon the implementation of case-specific approaches to address the requirements and resources of each individual asset and context. This paper defines a flexible and generalisable workflow that encompasses various aspects (i.e., documentation, surveying, vulnerability assessment) to support risk-informed decision making in heritage management tailored to the peculiar conservation needs of the structure. This methodology includes an initial investigation covering historical data collection, metric and condition surveys and non-destructive testing. The second stage includes Finite Element Method (FEM) modelling and structural analysis. All data generated and processed are managed in a multi-purpose HBIM model. The methodology is tested on a relevant case study, namely, the church of Santa Ana in Seville, chosen for its historical significance, intricacy and susceptibility to seismic action. The defined level of detail of the HBIM model is sufficient to inform the structural analysis, being balanced by a more accurate representation of the alterations, through linked orthophotos and a comprehensive list of alphanumerical parameters. This ensures an adequate level of information, optimising the trade-off between model complexity, investigation time requirements, computational burden and reliability in the decision-making process. Field testing and FEM analysis provide valuable insight into the main sources of vulnerability in the building, including the connection between the tower and nave and the slenderness of the columns.

Chaves, Estefanía↗
DOE OSTI2022

2.1.2.403 - Fatigue and Structural Load Analysis and Control for Variable-Geometry Wave Energy Converters (VGWECs)

The VGWEC project will generate and disseminate the foundational knowledge enabling a paradigm shift in the design of wave energy converters (WECs) by adding a geometry control option on top of power-take-off load control. The variable-geometry modules (VGMs) provide control over a WEC's hydrodynamics that can emphasize power absorption or load shedding. Additional load shedding provided by the VGMs is expected to reduce the device structural mass and extend the sea state operating envelope, by limiting peak loading, both contributing towards reducing levelized cost of energy (LCOE) estimates.

hydrodynamic↗
NASA NTRS1989

CSM research: Testbed development

The Computational Structural Mechanics (CSM) Activity at Langley Research Center is developing methods for structural analysis on modern computers. To facilitate that research effort, a Testbed Development environment is being constructed. It is the purpose of the Testbed to insulate researchers from differences in the computer operating systems of modern computer systems and permit concentrated effort on the analytical problem rather than the analytical tools required to solve that problem. While modern computers enable the solution of larger problems of increasing complexity, they do so at a cost. Distributed computer environments, vector processing hardware and multiple processors dominate the current computer environment and threaten to overwhelm future analysis software. The systems software for current computers becomes more complex in order to manage the increasing complexity. The applications developer is caught between conflicting goals. They must take advantage of the computing power of new computer systems while maintaining a stable software development system. The CSM Testbed is being developed to address this problem for the computational structural analysis research community. The Langley CSM activity was initiated in October 1984. The current directions for the Testbed Development Team of the Langley CSM activity are discussed.

Gillian, Ronnie E.↗
NASA NTRS2020

Jig Twist Optimization of Mach 0.745 Transonic Truss-Braced Wing Aircraft and High-Fidelity CFD Validation

This paper presents a jig twist optimization study of Mach 0.745 Transonic Truss-Braced Wing (TTBW) aircraft using an in-house developed aero-structural analysis solver VSPAERO coupled to BEAM3D. A vortex-lattice model of the TTBW model is developed, and a transonic and viscous flow correction method is implemented in the VSPAERO model to account for transonic and viscous flow effects. A correction method for the wing-strut interference aerodynamics is developed and applied to the VSPAERO solver. Also, a structural dynamic finite-element model of the TTBW aircraft is developed. This finite-element model includes the geometric nonlinear effect due to the tension in the struts which causes a deflection-dependent nonlinear stiffness. The VSPAERO model is coupled to the corresponding finite-element model to provide a rapid aero-structural analysis. A design flight condition corresponding to Mach 0.745 at 42000 ft is selected for the TTBW aircraft jig twist optimization to reduce the drag coefficient. After the design is implemented, the drag coefficient of the twist optimized TTBW aircraft is reduced about 8 counts. At the end, a high-fidelity CFD solver FUN3D is used to validate the design.

BEAM3D↗
NASA NTRS2020

Jig Twist Optimization of Mach 0.745 Transonic Truss-Braced Wing Aircraft and High-Fidelity CFD Validation

This paper presents a jig twist optimization study of Mach 0.745 Transonic Truss-Braced Wing (TTBW) aircraft using an in-house developed aero-structural analysis solver VSPAERO coupled to BEAM3D. A vortex-lattice model of the TTBW model is developed, and a transonic and viscous flow correction method is implemented in the VSPAERO model to account for transonic and viscous flow effects. A correction method for the wing-strut interference aerodynamics is developed and applied to the VSPAERO solver. Also, a structural dynamic finite-element model of the TTBW aircraft is developed. This finite-element model includes the geometric nonlinear effect due to the tension in the struts which causes a deflection-dependent nonlinear stiffness. The VSPAERO model is coupled to the corresponding finite-element model to provide a rapid aero-structural analysis. A flight condition corresponding to Mach 0.745 at 42000 ft is selected for the TTBW aircraft jig twist optimization to reduce the drag coefficient. After the design is implemented, the drag coefficient of the twist optimized TTBW aircraft is reduced about 8 counts. At the end, a high-fidelity CFD solver FUN3D is used to validate the design.

Xiong, Juntao↗
NASA NTRS1986

Structural dynamic analysis of the Large Deployable Reflector

The dynamic performance of the primary mirror of the Large Deployable Reflector (LDR) is analyzed under conditions of typical external disturbances that would be encountered during normal space operation. The performance assessment is based upon the difference between the figure distortion errors of the incoming image and the mission figure tolerance requirements (rms surface accuracy error and jitter). The need for additional figure control of the incoming image is assessed, and other alternatives for figure control are presented, such as increased structural damping effects due to the uncertainty in the real damping characteristics.

Andersen, G. C.↗
NASA NTRSDate not supplied

Multi-point Jig Twist Optimization of Mach 0.745 Transonic Truss-Braced Wing Aircraft and High-Fidelity CFD Validation

This paper presents a multi-point jig twist optimization study of the Mach 0.745 Transonic Truss-Braced Wing (TTBW) aircraft using an in-house developed aero-structural analysis solver VSPAERO coupled to BEAM3D. A vortex-lattice model of the TTBW model is developed, and a transonic small disturbance /integral boundary layer correction method is implemented in the VSPAERO model to account for transonic and viscous flow effects. A correction method for the wing-strut interference aerodynamics is developed and applied to the VSPAERO solver. Also, a structural dynamic finite-element model of the TTBW aircraft is developed. This finite-element model includes the geometric nonlinear effect due to the tension in the struts which causes a deflection-dependent nonlinear stiffness. The VSPAERO model is coupled to the corresponding finite-element model to provide a rapid aero-structural analysis. The VSPAERO model has been validated against wind tunnel test data and FUN3D CFD simulation data. Three different flight conditions corresponding to Mach 0.745 at 40,000 ft are selected for the TTBW aircraft jig twist optimization to reduce the drag coefficients at the design and off-design cruise lift coefficients. The preliminary optimization results show that the TTBW aircraft with the optimized jig twist achieves a drag reduction of about 9 counts, 7 counts, and8 counts corresponding to the lift coefficients 0.68, 0.73, and 0.78, respectively. A high-fidelity CFD solver FUN3D is used to validate the jig twist optimization.

Multi-point↗
DOE OSTI2013

Structure-function analysis of ribonucleotide bypass by B family DNA replicases

Ribonucleotides are frequently incorporated into DNA during replication, they are normally removed, and failure to remove them results in replication stress. This stress correlates with DNA polymerase (Pol) stalling during bypass of ribonucleotides in DNA templates. Here we demonstrate that stalling by yeast replicative Pols δ and ε increases as the number of consecutive template ribonucleotides increases from one to four. The homologous bacteriophage RB69 Pol also stalls during ribonucleotide bypass, with a pattern most similar to that of Pol ε. Crystal structures of an exonuclease-deficient variant of RB69 Pol corresponding to multiple steps in single ribonucleotide bypass reveal that increased stalling is associated with displacement of Tyr391 and an unpreferred C2´-endo conformation for the ribose. Even less efficient bypass of two consecutive ribonucleotides in DNA correlates with similar movements of Tyr391 and displacement of one of the ribonucleotides along with the primer-strand DNA backbone. These structure–function studies have implications for cellular signaling by ribonucleotides, and they may be relevant to replication stress in cells defective in ribonucleotide excision repair, including humans suffering from autoimmune disease associated with RNase H2 defects.

Clausen, Anders R.↗