Search NASA⌕ Search

SEARCH · Search NASA

Results for “Computed Structure Models”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Control of optical systems

Some of the current and planned activities at the Air Force Systems Command in structures and controls for optical-type systems are summarized. Many of the activities are contracted to industry; one task is an in-house program which includes a hardware test program. The objective of the in-house program, referred to as the Aluminum Beam Expander Structure (ABES), is to address issues involved in on-orbit system identification. The structure, which appears similar to the LDR backup structure, is about 35 feet tall. The activity to date has been limited to acquisition of about 250 hours of test data. About 30 hours of data per excitation force is gathered in order to obtain sufficient data for a good statistical estimate of the structural parameters. The development of an Integrated Structural Modeling (ISM) computer program is being done by Boeing Aerospace Company. The objective of the contracted effort is to develop a combined optics, structures, thermal, controls, and multibody dynamics simulation code.

Founds, D.↗
DOE OSTI2025

Structural and electronic changes in L⁢i 2 ⁢Ru⁢O 3 induced by lithium intercalation

Despite extensive research on oxide battery cathodes that transcend classical cationic redox activity, the detailed interplay between structural transformations and electronic redox processes remains insufficiently understood. We report a detailed study of the sequential structural and electronic changes in Li 2 RuO 3 upon lithium intercalation, characterized by powder x-ray and neutron diffraction alongside Ru and O K-edge x-ray absorption spectroscopy (XAS), and guided by operando synchrotron x-ray diffraction. During delithiation, Li 2 RuO 3 evolves from a well-defined monoclinic state to a complex trigonal phase via multiple intermediate structures, marked by significant changes in Ru-O bond distances that closely track the transition from a classical cationic redox to an unconventional process centered at oxygen states. Armed with high-quality atomic structural descriptions, computational models of the O K-edge XAS closely reproduce the experimentally observed spectral shifts. Lastly, we relate observations of electrochemical hysteresis with concurrent changes in the pathways of structural and electronic transitions. In conclusion, our results not only clarify the mechanisms underpinning voltage hysteresis in a model for lattice oxygen redox but also underscore the importance of structural fidelity in modeling redox behavior when this type of complex reactivity is present.

Li, Haifeng [Univ. of Illinois, Chicago, IL (Unite↗
DOE OSTI2024

Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase

Chitin is an abundant biopolymer and pathogen-associated molecular pattern that stimulates a host innate immune response. Mammals express chitin-binding and chitin-degrading proteins to remove chitin from the body. One of these proteins, Acidic Mammalian Chitinase (AMCase), is an enzyme known for its ability to function under acidic conditions in the stomach but is also active in tissues with more neutral pHs, such as the lung. Here, we used a combination of biochemical, structural, and computational modeling approaches to examine how the mouse homolog (mAMCase) can act in both acidic and neutral environments. We measured kinetic properties of mAMCase activity across a broad pH range, quantifying its unusual dual activity optima at pH 2 and 7. We also solved high-resolution crystal structures of mAMCase in complex with oligomeric GlcNAcn, the building block of chitin, where we identified extensive conformational ligand heterogeneity. Leveraging these data, we conducted molecular dynamics simulations that suggest how a key catalytic residue could be protonated via distinct mechanisms in each of the two environmental pH ranges. These results integrate structural, biochemical, and computational approaches to deliver a more complete understanding of the catalytic mechanism governing mAMCase activity at different pH. Engineering proteins with tunable pH optima may provide new opportunities to develop improved enzyme variants, including AMCase, for therapeutic purposes in chitin degradation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Unbiased particle conformation extraction from scattering spectra using orthonormal basis expansions

A strategy is outlined for quantitatively evaluating the particle density profiles from small-angle scattering spectra of dilute solutions. The approach employs an orthonormal basis function expansion method, enabling the determination of characteristic mass distributions in self-assembled structures without the need for a specific structural model. Through computational benchmarking, the efficacy of this approach is validated by effectively reconstructing the density profile of soft-ball systems with varying fuzziness from their scattering signatures. Further, the feasibility of the method is demonstrated by fitting small-angle neutron scattering data obtained from Pluronic L64 micelles at different temperatures. This proposed approach is both simple and analytical, eliminating the requirement for a presumptive structural model in scattering analysis. The new method could therefore facilitate quantitative descriptions of complex nanoscopic structures inherent to numerous soft-matter systems using small-angle scattering techniques.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Development of New Modeling and Analysis Tools for Solar Sails

Existing finite-element-based structural analysis codes are ineffective in treating deployable gossamer space systems, including solar sails that are formed by long space-deployable booms and extremely large thin-film membrane apertures. Recognizing this, the NASA Space transportation Technology Program has initiated and sponsored a focused research effort to develop new and computationally efficient structural modeling and analysis tools for solar sails. The technical approach of this ongoing effort will be described. Two solution methods, the Distributed Transfer Function Method and the Parameter-Variation-Principle method, based on which the technical approach was formatted are also discussed.

boom↗
NASA NTRSDate not supplied

Modeling Uprighting of the Orion Crew Module using a Finite Element Method with Wave Coupling and Structural Deformability

The Crew Module Uprighting System (CMUS) for the Orion Crew Module (CM) includes five bags that inflate after splashdown to rotate and upright the CM as necessary. Wave conditions can be severe enough to damage the bags and tethers, which could make the recovery operation hazardous. The CMUS therefore has design limits that ultimately constrain where the CM can land based upon sea conditions. This manuscript describes a full fluid-structure interaction computational model being used for the CMUS. It is a finite element model that uses explicit time integration to directly simulate uprighting, a computational approach usually reserved for short duration, highly transient phenomena and novelly applied here. The goal of this current effort is to determine the feasibility of this approach for CMUS uprighting, and to estimate the loads the CMUS bags experience in different wave conditions. The results from this work will be used to supplement other experimental and computational data in support of NASA’s Artemis program.

John Puryear↗
NASA NTRS1990

Application of symbolic computations to the constitutive modeling of structural materials

In applications involving elevated temperatures, the derivation of mathematical expressions (constitutive equations) describing the material behavior can be quite time consuming, involved and error-prone. Therefore intelligent application of symbolic systems to faciliate this tedious process can be of significant benefit. Presented here is a problem oriented, self contained symbolic expert system, named SDICE, which is capable of efficiently deriving potential based constitutive models in analytical form. This package, running under DOE MACSYMA, has the following features: (1) potential differentiation (chain rule), (2) tensor computations (utilizing index notation) including both algebraic and calculus; (3) efficient solution of sparse systems of equations; (4) automatic expression substitution and simplification; (5) back substitution of invariant and tensorial relations; (6) the ability to form the Jacobian and Hessian matrix; and (7) a relational data base. Limited aspects of invariant theory were also incorporated into SDICE due to the utilization of potentials as a starting point and the desire for these potentials to be frame invariant (objective). The uniqueness of SDICE resides in its ability to manipulate expressions in a general yet pre-defined order and simplify expressions so as to limit expression growth. Results are displayed, when applicable, utilizing index notation. SDICE was designed to aid and complement the human constitutive model developer. A number of examples are utilized to illustrate the various features contained within SDICE. It is expected that this symbolic package can and will provide a significant incentive to the development of new constitutive theories.

Arnold, Steven M.↗
DOE OSTI2025

Applying Gaussian Process Machine Learning and Modern Probabilistic Programming to Satellite Data to Infer CO 2 Emissions

Satellite data provides essential insights into the spatiotemporal distribution of CO 2 concentrations. However, many atmospheric inverse models fail to adequately incorporate the spatial and temporal correlations inherent in satellite observations and often lack rigorous methods for estimating parameters like spatial length scales. We introduce an inference model that processes the spatiotemporal covariance in satellite data and estimates hyperparameters such as covariance length scales. Our approach uses the Gaussian process (GP) machine learning (ML) and modern probabilistic programming languages (PPLs) to perform atmospheric inversions of emissions from satellite data. We develop a GP ML inversion system based on modern PPLs and the GEOS-Chem chemical transport model, simulating atmospheric CO 2 concentrations corresponding to the Orbiting Carbon Observatory-2/3 (OCO-2/3) data for July 2020. In our supervised learning framework, we treat the GEOS-Chem simulated data set as the target, with predictors derived by scaling the target with sector-specific factors hidden from the GP machine. Our results show that the GP model, combined with GPU-enabled PPLs, effectively retrieves true emission scaling factors and infers noise levels concealed within the data. This suggests that our method could be applied over larger areas with more complex covariance structures, enabling comprehensive analysis of the spatiotemporal patterns observed in OCO-2/3 and similar satellite data sets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Targeted inhibition of MASTL kinase activity induces apoptosis in breast cancer

Microtubule-associated serine/threonine kinase-like (MASTL) (or Greatwall kinase (GWL)) is an important cell cycle regulating kinase that regulates the G2-M transition. Uncontrolled MASTL activity is implicated in breast cancer progression. To date, very few inhibitors have been reported against this protein. Here, structure-based computational modeling indicates that the natural product flavopiridol (FLV) binds strongly to MASTL and these results are validated using molecular dynamics simulation studies. Further, an in vitro kinase assay reveals an EC 50 (effective concentration) value of FLV to be 82.1 nM and a better IC 50 compared to the positive reference compound, staurosporine. FLV is found to inhibit MASTL kinase activity, arresting the cell growth in the G1 phase and inducing apoptosis in breast cancer cells. Consistent with these results differential gene expression obtained using RNA sequencing studies, and validated by RT PCR and immunoblot analysis, indicate that MASTL inhibition induces cell cycle arrest and apoptotic-related genes. Furthermore, metastasis- and inflammation- related genes are downregulated. Thus, the deregulation of MASTL signaling pathways on targeted inhibition of its kinase activity is revealed. This study lays a strong foundation for investigating FLV as a lead compound in breast cancer therapeutics.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1977

The line blanketing and structure of the atmosphere of Arcturus

Model atmospheres for the K2 III star Arcturus (alpha Boo), calculated with various representations of the atomic and molecular opacity, are compared with the observed flux distribution and a published semiempirical temperature structure. A model computed with the opacity-sampling method and with an effective temperature of 4250 K and a surface gravity of 50 cm/sec per sec matches well, while models with other representations of the opacity produce distinctly worse fits. The effective temperature is well determined at 4250 + or - 100 K.

Johnson, H. R.↗
NASA NTRS1992

Computational technology for high-temperature aerospace structures

The status and some recent developments of computational technology for high-temperature aerospace structures are summarized. Discussion focuses on a number of aspects including: goals of computational technology for high-temperature structures; computational material modeling; life prediction methodology; computational modeling of high-temperature composites; error estimation and adaptive improvement strategies; strategies for solution of fluid flow/thermal/structural problems; and probabilistic methods and stochastic modeling approaches, integrated analysis and design. Recent trends in high-performance computing environment are described and the research areas which have high potential for meeting future technological needs are identified.

Noor, A. K.↗
NASA NTRS1992

Flight 20 (STS-45) polysulfide gas path investigation

This report documents the results of the investigation into causes of gas paths on the 20A and 20B case-to-nozzle joints on STS-42. The investigation was conducted by the Investigation Board appointed by the senior vice president and general manager of Space Operations, Mr. R. E. Lindstrom, on 7 Feb. 1992. The probability of gas path occurrence in the nozzle-to-case-joint polysulfide had been identified during joint redesign. However, actual flight gas path incidence has been limited to RSRM-11 and the 20A and 20B segments. The blow-by condition on the 20A segment was a first time occurrence which was a special concern. The investigation covered all technical aspects associated with the gas path and blow-by conditions: materials and processing history, design requirements and as-built compliance to the design, thermal and structural analyses, computer modeling, and laboratory experimentation with the materials involved. The investigation was coordinated with Mr. Ken Jones at NASA Marshall in bi-weekly teleconferences. The Board also supported Dr. James C. Blair's independent NASA investigation team by providing copies of collected data, conducting requested analyses, and supporting several all-day teleconferences to provide understanding and resolve issues. The Dr. Blair support requirement was successfully concluded on 4 Mar. 1992.

Bjorkman, Rey C.↗
NASA NTRS1994

NLTE model stellar atmospheres with line blanketing near the series limits

In this paper we study the influence of line-merging regions at the intermediate long-wavelength side of a continuum threshold on the computed model atmosphere structure and predicted spectrum. In order to model these regions sufficiently accurately, we have developed two concepts. First, we have extended the occupation probability formalism of Hummer and Mihalas to non-local thermodynamic equilibrium (non-LTE) plasmas. Second, in order to treat the very complicated opacity in the line merging region, we have generalized the concept of opacity distribution functions to treat non-LTE situations. All Rydberg states are consistently included within this framework, so that no arbitrary cutoff of high (LTE) levels is made. We have calculated several pure hydrogen models atmospheres for two effective temperatures, T(sub eff) = 20000 and 35000 K, and discussed the differences between models calculated with various treatments of the line merging. In particular, we have shown that the error in the predicted profiles of Balmer lines resulting from the neglect of line merging is typically of the order of 3-4%, while the errors in the far-UV portion of the Balmer continuum reaches 15-35%. The errors generally decrease with increasing effective temperature. At the same time, the internal accuracy of the models is shown to be about or below 0.5% for all predicted spectral features. We conclude that for interpreting current high-accuracy spectrophotometric observations models including the line merging are necessary, and that the formalism developed in this paper is capable of providing a sufficiently accurate and robust modeling technique.

Hubeny, I.↗
NASA NTRS2010

Camera Layout Design for the Upper Stage Thrust Cone

Engineers in the Integrated Design and Analysis Division (EV30) use a variety of different tools to aid in the design and analysis of the Ares I vehicle. One primary tool in use is Pro-Engineer. Pro-Engineer is a computer-aided design (CAD) software that allows designers to create computer generated structural models of vehicle structures. For the Upper State thrust cone, Pro-Engineer was used to assist in the design of a layout for two camera housings. These cameras observe the separation between the first and second stage of the Ares I vehicle. For the Ares I-X, one standard speed camera was used. The Ares I design calls for two separate housings, three cameras, and a lighting system. With previous design concepts and verification strategies in mind, a new layout for the two camera design concept was developed with members of the EV32 team. With the new design, Pro-Engineer was used to draw the layout to observe how the two camera housings fit with the thrust cone assembly. Future analysis of the camera housing design will verify the stability and clearance of the camera with other hardware present on the thrust cone.

Wooten, Tevin↗
NASA NTRS2021

Origami-Inspired Optical Shield for a Starshade Inner Disk Testbed: Design, Fabrication, and Analysis

In 2019, a 10 m-diameter starshade inner disk test article was assembled; this test article demonstrated deployment accuracy sufficient for starshade mission concepts. Here, we describe the design, fabrication, and computational structural analysis of a key inner disk component realized for this effort: the origami-folded optical shield. The optical shield is a 10 m-diameter lightweight cover that makes the inner disk opaque. It stows within a 2.3 m-diameter volume by using an origami-inspired wrapping pattern, and is deployed passively by the inner disk perimeter truss. The fold pattern was generated by a custom algorithm based one existing generative design approaches. This prototype demonstrated critical functions: stowage in a compact volume, static equilibrium when stowed and deployed, and low strain when stowed. Four separate computational structural analysis models of the optical shield were de- veloped, at varying levels of fidelity and using a variety of software solutions: Abaqus, RAPID, and ADAMS. These models were intended to pathfind approaches for modeling the stowage and deployment of the inner disk, and to demonstrate that the optical shield is amenable existing structural modeling approaches. These models were found to adequately capture pertinent stowage and deployment behavior of the optical shield prototype.

Hoffman, Laura↗
NASA NTRS1986

The identification of a distributed parameter model for a flexible structure

A computational method is developed for the estimation of parameters in a distributed model for a flexible structure. The structure we consider (part of the RPL experiment) consists of a cantilevered beam with a thruster and linear accelerometer at the free end. The thruster is fed by a pressurized hose whose horizontal motion effects the transverse vibration of the beam. The Euler-Bernoulli theory is used to model the vibration of the beam and treat the hose-thruster assembly as a lumped or point mass-dashpot-spring system at the tip. Using measurements of linear acceleration at the tip, it is estimated that the parameters (mass, stiffness, damping) and a Voight-Kelvin viscoelastic structural damping parameter for the beam using a least squares fit to the data. Spline based approximations to the hybrid (coupled ordinary and partial differential equations) system are considered; theoretical convergence results and numerical studies with both simulation and actual experimental data obtained from the structure are presented and discussed.

Banks, H. T.↗
NASA NTRS1988

The identification of a distributed parameter model for a flexible structure

A computational method is developed for the estimation of parameters in a distributed model for a flexible structure. The structure we consider (part of the RPL experiment) consists of a cantilevered beam with a thruster and linear accelerometer at the free end. The thruster is fed by a pressurized hose whose horizontal motion effects the transverse vibration of the beam. The Euler-Bernoulli theory is used to model the vibration of the beam and treat the hose thruster assembly as a lumped or point mass dashpot spring system at the tip. Measurements of linear acceleration at the tip are used to estimate the hose parameters (mass, stiffness, damping) and a Voigt-Kelvin viscoelastic structural damping parameter for the beam using a least squares fit to the data. Spline based approximations are considered to the hybrid (coupled ordinary and partial differential equations) systems; theoretical convergence results and numerical studies with both simulation and actual experimental data obtained from the structure are presented and discussed.

Banks, H. T.↗