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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action

The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) replication transcription complex (RTC) is a multi-domain protein responsible for replicating and transcribing the viral mRNA inside a human cell. Attacking RTC function with pharmaceutical compounds is a pathway to treating COVID-19. Conventional tools, e.g., cryo-electron microscopy and all-atom molecular dynamics (AAMD), do not provide sufficiently high resolution or timescale to capture important dynamics of this molecular machine. Consequently, we develop an innovative workflow that bridges the gap between these resolutions, using mesoscale fluctuating finite element analysis (FFEA) continuum simulations and a hierarchy of AI-methods that continually learn and infer features for maintaining consistency between AAMD and FFEA simulations. We leverage a multi-site distributed workflow manager to orchestrate AI, FFEA, and AAMD jobs, providing optimal resource utilization across HPC centers. Our study provides unprecedented access to study the SARS-CoV-2 RTC machinery, while providing general capability for AI-enabled multi-resolution simulations at scale.

Trifan, Anda↗
NASA NTRS1989

Model reduction in the physical coordinate system

In the dynamics modeling of a flexible structure, finite element analysis employs reduction techniques, such as Guyan's reduction, to remove some of the insignificant physical coordinates, thus producing a dynamics model that has smaller mass and stiffness matrices. But this reduction is limited in the sense that it removes certain degrees of freedom at a node points themselves in the model. From the standpoint of linear control design, the resultant model is still too large despite the reduction. Thus, some form of the model reduction is frequently used in control design by approximating a large dynamical system with a fewer number of state variables. However, a problem arises from the placement of sensors and actuators in the reduced model, because a model usually undergoes, before being reduced, some form of coordinate transformations that do not preserve the physical meanings of the states. To correct such a problem, a method is developed that expresses a reduced model in terms of a subset of the original states. The proposed method starts with a dynamic model that is originated and reduced in finite element analysis. Then the model is converted to the state space form, and reduced again by the internal balancing method. At this point, being in the balanced coordinate system, the states in the reduced model have no apparent resemblance to those of the original model. Through another coordinate transformation that is developed, however, this reduced model is expressed by a subset of the original states.

Yae, K. Harold↗
NASA NTRS2014

Trades Between Opposition and Conjunction Class Trajectories for Early Human Missions to Mars

Candidate human missions to Mars, including NASA's Design Reference Architecture 5.0, have focused on conjunction-class missions with long crewed durations and minimum energy trajectories to reduce total propellant requirements and total launch mass. However, in order to progressively reduce risk and gain experience in interplanetary mission operations, it may be desirable that initial human missions to Mars, whether to the surface or to Mars orbit, have shorter total crewed durations and minimal stay times at the destination. Opposition-class missions require larger total energy requirements relative to conjunction-class missions but offer the potential for much shorter mission durations, potentially reducing risk and overall systems performance requirements. This paper will present a detailed comparison of conjunction-class and opposition-class human missions to Mars vicinity with a focus on how such missions could be integrated into the initial phases of a Mars exploration campaign. The paper will present the results of a trade study that integrates trajectory/propellant analysis, element design, logistics and sparing analysis, and risk assessment to produce a comprehensive comparison of opposition and conjunction exploration mission constructs. Included in the trade study is an assessment of the risk to the crew and the trade offs between the mission duration and element, logistics, and spares mass. The analysis of the mission trade space was conducted using four simulation and analysis tools developed by NASA. Trajectory analyses for Mars destination missions were conducted using VISITOR (Versatile ImpulSive Interplanetary Trajectory OptimizeR), an in-house tool developed by NASA Langley Research Center. Architecture elements were evaluated using EXploration Architecture Model for IN-space and Earth-to-orbit (EXAMINE), a parametric modeling tool that generates exploration architectures through an integrated systems model. Logistics analysis was conducted using NASA's Human Exploration Logistics Model (HELM), and sparing allocation predictions were generated via the Exploration Maintainability Analysis Tool (EMAT), which is a probabilistic simulation engine that evaluates trades in spacecraft reliability and sparing requirements based on spacecraft system maintainability and reparability.

Mattfeld, Bryan↗
NASA NTRS1998

A 2-D Interface Element for Coupled Analysis of Independently Modeled 3-D Finite Element Subdomains

Over the past few years, the development of the interface technology has provided an analysis framework for embedding detailed finite element models within finite element models which are less refined. This development has enabled the use of cascading substructure domains without the constraint of coincident nodes along substructure boundaries. The approach used for the interface element is based on an alternate variational principle often used in deriving hybrid finite elements. The resulting system of equations exhibits a high degree of sparsity but gives rise to a non-positive definite system which causes difficulties with many of the equation solvers in general-purpose finite element codes. Hence the global system of equations is generally solved using, a decomposition procedure with pivoting. The research reported to-date for the interface element includes the one-dimensional line interface element and two-dimensional surface interface element. Several large-scale simulations, including geometrically nonlinear problems, have been reported using the one-dimensional interface element technology; however, only limited applications are available for the surface interface element. In the applications reported to-date, the geometry of the interfaced domains exactly match each other even though the spatial discretization within each domain may be different. As such, the spatial modeling of each domain, the interface elements and the assembled system is still laborious. The present research is focused on developing a rapid modeling procedure based on a parametric interface representation of independently defined subdomains which are also independently discretized.

Kandil, Osama A.↗
DOE OSTI2021

Analysis of Element Size and Element Type on SS304L Material Model Performance

Finite element solutions are only valid if the information inputted into the models is a valid assumption. This is why it is important to determine if the model behaves as expected especially in the material response. Material models that consider deformation in the elastic and plastic regions are desirable. As a material deforms plastically, hardening will occur until the ultimate strength is reached due to the reduction of the cross sectional area in a uniaxial tensile test environment. A phenomenological approximation of this behavior which is known as power law hardening (plh) can be expressed as σ = σ y + K $ϵ^{n}_{p}$ where K and n are empirically determined constants, and σ y is the proportional limit of the material. The first objective of this study is to verify the behavior for a calibrated plh material model for selective deviatoric hexahedral elements when applied to a different material stock. The Sierra SM input for this calibrated model can be found in the appendix. The second objective of this study is to determine the differences in failure characteristics for considerably large shell elements versus that of fine hexahedral elements.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Progress in Genetic Algorithm Fitting of X-Ray Fluorescence Data for Absorption Spectroscopy of Liquid Surfaces

X-ray fluorescence (XRF) spectroscopy of liquid surfaces is a promising approach to elemental analysis of forensic samples. Elements in the mixture can be identified from the XRF data because chemical elements are associated with unique spectra. This report describes progress in the development of automated identification of unknown mixtures of elements from XRF spectra using a genetic algorithm (GA). The XRF spectra are measured at the Advanced Photon Source (APS) at the liquid-liquid interface during solvent extraction process. The usage of the GA is demonstrated and future implementation for related problems are then discussed.

47 OTHER INSTRUMENTATION↗
NASA NTRS1972

Quantitative simultaneous multi-element microprobe analysis using combined wavelength and energy dispersive systems

A combined WDS-EDS system obviates the severe X-ray peak overlap problems encountered with Na, Mg, Al and Si common to pure EDS systems. By application of easily measured empirical correction factors for pulse pile-up and peak overlaps which are normally observed in the analysis of silicate minerals, the accuracy of analysis is comparable with that expected for WDS electron microprobe analyses. The continuum backgrounds are subtracted for the spectra by a spline fitting technique based on integrated intensities between the peaks. The preprocessed data are then reduced to chemical analyses by existing data reduction programs.

Walter, L. S.↗
NASA NTRS1973

Finite element stress analysis of polymers at high strains

A numerical analysis is presented for the problem of a flat rectangular rubber membrane with a circular rigid inclusion undergoing high strains due to the action of an axial load. The neo-hookean constitutive equations are introduced into the general purpose TITUS program by means of equivalent hookean constants and initial strains. The convergence is achieved after a few iterations. The method is not limited to any specific program. The results are in good agreement with those of a company sponsored photoelastic stress analysis. The theoretical and experimental deformed shapes also agree very closely with one another. For high strains it is demonstrated that using the conventional HOOKE law the stress concentration factor obtained is unreliable in the case of rubberlike material.

Durand, M.↗
NASA NTRS1974

A numerically efficient finite element hydroelastic analysis. Volume 2: Implementation in NASTRAN, part 1

Details are presented of the implementation of the new formulation into NASTRAN including descriptions of the DMAP statements required for conversion of the program and details pertaining to problem definition and bulk data considerations. Details of the current 1/8-scale space shuttle external tank mathematical model, numerical results and analysis/test comparisons are also presented. The appendices include a description and listing of a FORTRAN program used to develop harmonic transformation bulk data (multipoint constraint statements) and sample bulk data information for a number of hydroelastic problems.

Coppolino, R. N.↗
NASA NTRS1977

Finite-element structural analysis

Computer program aids in reduction and analysis of data. It determines critical loading conditions for critical values of reactions, applied loads, deflections, stresses, internal loads, etc. Input to program must be in one of specified three-part format.

Furuike, T.↗
NASA NTRS1977

Finite Element Stability Analysis for Coupled Rotor and Support Systems

The effects of fuselage motions on stability and random response were analytically assessed. The feasibility of adequate perturbation models from non-linear trim conditions was studied by computer and hardware experiments. Rotor wake-blade interactions were assessed by using a 4-bladed rotor model with the capability of progressing and regressing blade pitch excitation (cyclic pitch stirring), by using a 4-bladed rotor model with hub tilt stirring, and by testing rotor models in sinusoidal up or side flow.

Hohenemser, K. H.↗
NASA NTRS1979

Three-dimensional finite-element elastic analysis of a thermally cycled single-edge wedge geometry specimen

An elastic stress analysis was performed on a wedge specimen (prismatic bar with single-wedge cross section) subjected to thermal cycles in fluidized beds. Seven different combinations consisting of three alloys (NASA TAZ-8A, 316 stainless steel, and A-286) and four thermal cycling conditions were analyzed. The analyses were performed as a joint effort of two laboratories using different models and computer programs (NASTRAN and ISO3DQ). Stress, strain, and temperature results are presented.

Bizon, P. T.↗
NASA NTRS1984

Interactive modeling using the PATRAN-G program

PATRAN-G is an interactive finite element generating and graphics display program. The program is currently executable on the VAX or PRIME computers and is compatible with 19 commercially available graphics terminals. The PATRAN program can be used in two modes: generation of a finite element model, or postprocessing of output data from a finite element analysis program. The finite element generating mode is divided into two phases. Phase I is the geometry construction. During this phase, the geometric boundaries of the model are defined and the material properties are input. Mirror imaging, translation and scaling of lines, surfaces, and volumes, and rotation of regions permit the geometry to be described efficiently. Points may be defined in alternate rectangular, cylindrical, or spherical coordinate systems. Also, PATRAN-G can calculate the intersection of lines or surfaces. This capability allows a user to easily model, for example, the intersection of a cylinder which cuts through a sphere at an angle. Once the geometry of the model has been described in terms of points, lines, surfaces, and volumes. Phase II is used to generate the computer finite element model.

Stalnaker, W. A.↗