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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Defining a Two-pronged Structural Model for PB1 (Phox/Bem1p) Domain Interaction in Plant Auxin Responses

Phox/Bem1p (PB1) domains are universal structural modules that use surfaces of different charge for protein-protein association. In plants, PB1-mediated interactions of auxin response factors (ARF) and auxin/indole 3-acetic acid inducible proteins regulate transcriptional events modulated by the phytohormone auxin. Here we investigate the thermodynamic and structural basis for Arabidopsis thaliana ARF7 PB1 domain self-interaction. Isothermal titration calorimetry and NMR experiments indicate that key residues on both the basic and acidic faces of the PB1 domain contribute to and organize coordinately to stabilize protein-protein interactions. Calorimetric analysis of ARF7PB1 site-directed mutants defines a two-pronged electrostatic interaction. Furthermore, the canonical PB1 interaction between a lysine and a cluster of acidic residues provides one prong with an arginine and a second cluster of acidic residues defining the other prong. Evolutionary conservation of this core recognition feature and other co-varying interface sequences allows for versatile PB1-mediated interactions in auxin signaling.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

RCSB Protein Data Bank: visualizing groups of experimentally determined PDB structures alongside computed structure models of proteins

Recent advances in Artificial Intelligence and Machine Learning (e.g., AlphaFold, RosettaFold, and ESMFold) enable prediction of three-dimensional (3D) protein structures from amino acid sequences alone at accuracies comparable to lower-resolution experimental methods. These tools have been employed to predict structures across entire proteomes and the results of large-scale metagenomic sequence studies, yielding an exponential increase in available biomolecular 3D structural information. Given the enormous volume of this newly computed biostructure data, there is an urgent need for robust tools to manage, search, cluster, and visualize large collections of structures. Equally important is the capability to efficiently summarize and visualize metadata, biological/biochemical annotations, and structural features, particularly when working with vast numbers of protein structures of both experimental origin from the Protein Data Bank (PDB) and computationally-predicted models. Moreover, researchers require advanced visualization techniques that support interactive exploration of multiple sequences and structural alignments. This paper introduces a suite of tools provided on the RCSB PDB research-focused web portal RCSB. org, tailor-made for efficient management, search, organization, and visualization of this burgeoning corpus of 3D macromolecular structure data.

3D visualization↗
DOE OSTI2016

Landau-Zener extension of the Tavis-Cummings model: Structure of the solution

We explore the recently discovered solution of the driven Tavis-Cummings model (DTCM). It describes interaction of an arbitrary number of two-level systems with a bosonic mode that has linearly time-dependent frequency. We derive compact and tractable expressions for transition probabilities in terms of the well-known special functions. In this form, our formulas are suitable for fast numerical calculations and analytical approximations. As an application, we obtain the semiclassical limit of the exact solution and compare it to prior approximations. Furthermore, we also reveal connection between DTCM and q -deformed binomial statistics.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2004

Popigai Impact Structure Modeling: Morphology and Worldwide Ejecta

The approx. 100 km in diameter, 35.7 0.2 Ma old Popigai structure [1], northern Siberia (Russia), is the best-preserved of the large terrestrial complex crater structures containing a central-peak ring [2- 4]. Although remotely located, the excellent outcrops, large number of drill cores, and wealth of geochemical data make Popigai ideal for the general study of the cratering processes. It is most famous for its impact-diamonds [2,5]. Popigai is the best candidate for the source crater of the worldwide late Eocene ejecta [6,7].

Ivanov, B. A.↗
NASA NTRS1972

Structural model optimization using statistical evaluation

The results of research in applying statistical methods to the problem of structural dynamic system identification are presented. The study is in three parts: a review of previous approaches by other researchers, a development of various linear estimators which might find application, and the design and development of a computer program which uses a Bayesian estimator. The method is tried on two models and is successful where the predicted stiffness matrix is a proper model, e.g., a bending beam is represented by a bending model. Difficulties are encountered when the model concept varies. There is also evidence that nonlinearity must be handled properly to speed the convergence.

Collins, J. D.↗
DOE OSTI2017

Detailed assessment of global transport-energy models’ structures and projections

This paper focuses on comparing the frameworks and projections from four major global transportation models with considerable transportation technology and behavioral detail. We analyze and compare the modeling frameworks, underlying data, assumptions, intermediate parameters, and projections to identify the sources of divergence or consistency, as well as key knowledge gaps. We find that there are significant differences in the base-year data and key parameters for future projections, especially for developing countries. These include passenger and freight activity, mode shares, vehicle ownership rates, and even energy consumption by mode, particularly for shipping, aviation and trucking. This may be due in part to a lack of previous efforts to do such consistency-checking and “bench-marking.” We find that the four models differ in terms of the relative roles of various mitigation strategies to achieve a 2°C / 450 ppm CO2e target: the economics-based integrated assessment models favor the use of low carbon fuels as the primary mitigation option followed by efficiency improvements, whereas transport-only and expert-based models favor efficiency improvements of vehicles followed by mode shifts. We offer recommendations for future modeling improvements focusing on (1) reducing data gaps; (2) translating the findings from this study into relevant policy implications such as feasibility of current policy goals, additional policy targets needed, regional vs. global reductions, etc.; (3) modeling strata of demographic groups to improve understanding of vehicle ownership levels, travel behavior, and urban vs. rural considerations; and (4) conducting coordinated efforts in aligning input assumptions and historical data, policy analysis, and modeling insights.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1979

A structural model of the adaptive human pilot

A compensatory tracking model of the human pilot is offered which attempts to provide a more realistic representation of the human's signal processing structure than that which is exhibited by pilot models currently in use. Two features of the model distinguish it from other representations of the human pilot. First, proprioceptive information from the control stick or manipulator constitutes one of the major feedback paths in the model, providing feedback of vehicle output rate due to control activity. Implicit in this feedback loop is a model of the vehicle dynamics which is valid in and beyond the region of crossover. Second, error-rate information is continuously derived and independently but intermittently controlled. An output injected remnant model is offered and qualitatively justified on the basis of providing a measure of the effect of inaccuracies such as time variations in the pilot's internal model of the controlled element dynamics. The data from experimental tracking tasks involving five different controlled element dynamics and one nonideal viewing condition were matched with model generated describing functions and remnant power spectral densities.

Hess, R. A.↗
NASA NTRS1999

Design Oriented Structural Modeling for Airplane Conceptual Design Optimization

The main goal for research conducted with the support of this grant was to develop design oriented structural optimization methods for the conceptual design of airplanes. Traditionally in conceptual design airframe weight is estimated based on statistical equations developed over years of fitting airplane weight data in data bases of similar existing air- planes. Utilization of such regression equations for the design of new airplanes can be justified only if the new air-planes use structural technology similar to the technology on the airplanes in those weight data bases. If any new structural technology is to be pursued or any new unconventional configurations designed the statistical weight equations cannot be used. In such cases any structural weight estimation must be based on rigorous "physics based" structural analysis and optimization of the airframes under consideration. Work under this grant progressed to explore airframe design-oriented structural optimization techniques along two lines of research: methods based on "fast" design oriented finite element technology and methods based on equivalent plate / equivalent shell models of airframes, in which the vehicle is modelled as an assembly of plate and shell components, each simulating a lifting surface or nacelle / fuselage pieces. Since response to changes in geometry are essential in conceptual design of airplanes, as well as the capability to optimize the shape itself, research supported by this grant sought to develop efficient techniques for parametrization of airplane shape and sensitivity analysis with respect to shape design variables. Towards the end of the grant period a prototype automated structural analysis code designed to work with the NASA Aircraft Synthesis conceptual design code ACS= was delivered to NASA Ames.

Livne, Eli↗
DOE OSTI2014

A Structural Model for Binding of the Serine-Rich Repeat Adhesin GspB to Host Carbohydrate Receptors

GspB is a serine-rich repeat (SRR) adhesin of Streptococcus gordonii that mediates binding of this organism to human platelets via its interaction with sialyl-T antigen on the receptor GPIb{alpha}. This interaction appears to be a major virulence determinant in the pathogenesis of infective endocarditis. To address the mechanism by which GspB recognizes its carbohydrate ligand, we determined the high-resolution x-ray crystal structure of the GspB binding region (GspB{sub BR}), both alone and in complex with a disaccharide precursor to sialyl-T antigen. Analysis of the GspB{sub BR} structure revealed that it is comprised of three independently folded subdomains or modules: (1) an Ig-fold resembling a CnaA domain from prokaryotic pathogens; (2) a second Ig-fold resembling the binding region of mammalian Siglecs; (3) a subdomain of unique fold. The disaccharide was found to bind in a pocket within the Siglec subdomain, but at a site distinct from that observed in mammalian Siglecs. Confirming the biological relevance of this binding pocket, we produced three isogenic variants of S. gordonii, each containing a single point mutation of a residue lining this binding pocket. These variants have reduced binding to carbohydrates of GPIb{alpha}. Further examination of purified GspB{sub BR}-R484E showed reduced binding to sialyl-T antigen while S. gordonii harboring this mutation did not efficiently bind platelets and showed a significant reduction in virulence, as measured by an animal model of endocarditis. Analysis of other SRR proteins revealed that the predicted binding regions of these adhesins also had a modular organization, with those known to bind carbohydrate receptors having modules homologous to the Siglec and Unique subdomains of GspBBR. This suggests that the binding specificity of the SRR family of adhesins is determined by the type and organization of discrete modules within the binding domains, which may affect the tropism of organisms for different tissues.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1989

Composite sizing and ply orientation for stiffness requirements using a large finite element structural model

A NASTRAN bulk dataset preprocessor was developed to facilitate the integration of filamentary composite laminate properties into composite structural resizing for stiffness requirements. The NASCOMP system generates delta stiffness and delta mass matrices for input to the flutter derivative program. The flutter baseline analysis, derivative calculations, and stiffness and mass matrix updates are controlled by engineer defined processes under an operating system called CBUS. A multi-layered design variable grid system permits high fidelity resizing without excessive computer cost. The NASCOMP system uses ply layup drawings for basic input. The aeroelastic resizing for stiffness capability was used during an actual design exercise.

Radovcich, N. A.↗
NASA NTRS2001

Structural Modeling of a Five-Meter Thin Film Inflatable Antenna/Concentrator With Rigidized Support Struts

Dynamic characterization of a non-rigidized thin film inflatable antenna/solar concentrator structure with rigidized composite support struts is described in detail. A two-step finite element modeling approach in MSC/NASTRAN is utilized, consisting of: (1) a nonlinear static pressurization procedure used to obtain the updated stiffness matrix, and (2) a modal "restart" eigen solution that uses the modified stiffness matrix. Unique problems encountered in modeling of this large 5-m lightweight inflatable are identified, including considerable difficulty in obtaining convergence in the nonlinear pressurization solution. It was found that the extremely thin polyimide film material (.001 in or I mil) presents tremendous problems in obtaining a converged solution when internal pressure loading is applied. It was concluded that the ratios of film thickness to other geometric dimensions such as torus cross-sectional and ring diameter and lenticular diameter are the critical parameters for convergence of the pressurization procedure. Comparison of finite element predictions for frequency and mode shapes with experimental results indicated reasonable agreement considering the complexity of the structure, the film-to-air interaction, and the nonlinear material properties of the film. It was also concluded that analysis should be done using different finite element to codes to determine if a more robust and stable solution can be obtained.

Smalley, Kurt B.↗
NASA NTRS1993

Mass-additive modal test method for verification of constrained structural models

A method for deriving constrained or fixed-base modes and frequencies from free-free modes of a structure with mass-loaded boundaries is developed. Problems associated with design and development of test fixtures can be avoided with such an approach. The analytical methodology presented is used to assess applicability of the mass-additive method for three types of structures and to determine the accuracy of derived constrained modes and frequencies. Results show that mass loading of the boundaries enables local interface modes to be measured within a desired frequency bandwidth, thus allowing constrained modes to be derived with considerably fewer free-free modes than for unloaded boundaries. Good convergence was obtained for a simple beam and a truss-like Shuttle payload, both of which had well-spaced modes and stiff interface support structures. Slow convergence was obtained for a space station module prototype, a shell-like structure having high modal density.

Admire, John R.↗
NASA NTRS2020

Computationally-efficient Structural Models for Analysis of Woven Composites

The paper presents a novel approach to model woven composite using the computationally efficient one-dimensional models. The framework is built within the scheme of the Carrera Unified Formulation (CUF), a generalized hierarchical formulation that generates variable kinematic structural theories. Various components of the woven composite unit cell are modeled using a combination of straight and curved one-dimensional CUF models. By employing a component-wise approach, a modeling technique within CUF, the complex geometry of the woven composite components is modeled precisely. The ability of CUF models to accurately resolve stress and strain fields are exploited to capture complex deformation within a woven composite unit cell. Numerical results include analyses of a non-crimped textile composite, a curved tow under tension, and a dry woven textile unit cell.

Kaleel, Ibrahim↗
NASA NTRS2015

Composite Structure Modeling and Analysis of Advanced Aircraft Fuselage Concepts

NASA Environmentally Responsible Aviation (ERA) project and the Boeing Company are collabrating to advance the unitized damage arresting composite airframe technology with application to the Hybrid-Wing-Body (HWB) aircraft. The testing of a HWB fuselage section with Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) construction is presently being conducted at NASA Langley. Based on lessons learned from previous HWB structural design studies, improved finite-element models (FEM) of the HWB multi-bay and bulkhead assembly are developed to evaluate the performance of the PRSEUS construction. In order to assess the comparative weight reduction benefits of the PRSEUS technology, conventional cylindrical skin-stringer-frame models of a cylindrical and a double-bubble section fuselage concepts are developed. Stress analysis with design cabin-pressure load and scenario based case studies are conducted for design improvement in each case. Alternate analysis with stitched composite hat-stringers and C-frames are also presented, in addition to the foam-core sandwich frame and pultruded rod-stringer construction. The FEM structural stress, strain and weights are computed and compared for relative weight/strength benefit assessment. The structural analysis and specific weight comparison of these stitched composite advanced aircraft fuselage concepts demonstrated that the pressurized HWB fuselage section assembly can be structurally as efficient as the conventional cylindrical fuselage section with composite stringer-frame and PRSEUS construction, and significantly better than the conventional aluminum construction and the double-bubble section concept.

Mukhopadhyay, Vivek↗
NASA NTRS1988

Block-Krylov component synthesis method for structural model reduction

A new analytical method is presented for generating component shape vectors, or Ritz vectors, for use in component synthesis. Based on the concept of a block-Krylov subspace, easily derived recurrence relations generate blocks of Ritz vectors for each component. The subspace spanned by the Ritz vectors is called a block-Krylov subspace. The synthesis uses the new Ritz vectors rather than component normal modes to reduce the order of large, finite-element component models. An advantage of the Ritz vectors is that they involve significantly less computation than component normal modes. Both 'free-interface' and 'fixed-interface' component models are derived. They yield block-Krylov formulations paralleling the concepts of free-interface and fixed-interface component modal synthesis. Additionally, block-Krylov reduced-order component models are shown to have special disturbability/observability properties. Consequently, the method is attractive in active structural control applications, such as large space structures. The new fixed-interface methodology is demonstrated by a numerical example. The accuracy is found to be comparable to that of fixed-interface component modal synthesis.

Craig, Roy R., Jr.↗