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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Computational simulation of acoustic fatigue for hot composite structures

This paper presents predictive methods/codes for computational simulation of acoustic fatigue resistance of hot composite structures subjected to acoustic excitation emanating from an adjacent vibrating component. Select codes developed over the past two decades at the NASA Lewis Research Center are used. The codes include computation of (1) acoustic noise generated from a vibrating component, (2) degradation in material properties of the composite laminate at use temperature, (3) dynamic response of acoustically excited hot multilayered composite structure, (4) degradation in the first-ply strength of the excited structure due to acoustic loading, and (5) acoustic fatigue resistance of the excited structure, including propulsion environment. Effects of the laminate lay-up and environment on the acoustic fatigue life are evaluated. The results show that, by keeping the angled plies on the outer surface of the laminate, a substantial increase in the acoustic fatigue life is obtained. The effect of environment (temperature and moisure) is to relieve the residual stresses leading to an increase in the acoustic fatigue life of the excited panel.

Singhal, S. N.↗
NASA NTRS1991

Solution of geometrically nonlinear statics problems by the p-version of the finite element method

This project is concerned with the possibility of using computers for the simulation of structural systems with the same degree of reliability as full scale physical experiments. Reliable numerical simulation will make it possible to reduce the costs of engineering and improve the quality of engineering decisions based on computed information. An error of idealization is an error between the actual physical quantities on which engineering decisions are based (e.g., maximum principal stress, first natural frequency, etc.) and the same data corresponding to the exact solution of the mathematical model. An error of discretization is an error between the quantities of interest corresponding to the exact and approximate solutions of a mathematical model. A high degree of reliability can be achieved in numerical simulation only if both the errors of idealization and errors of discretization can be shown to be small.

Szabo, Barna A.↗
DOE OSTI2019

The impact of thermoelectric leg geometries on thermal resistance and power output

Thermoelectric devices enable direct, solid-state conversion of heat to electricity and vice versa. Rather than designing the shape of thermoelectric units or legs to maximize this energy conversion, the cuboid shape of these legs has instead remained unchanged in large part because of limitations in the standard manufacturing process. However, the advent of additive manufacturing (a technique in which freeform geometries are built up layer-by-layer) offers the potential to create unique thermoelectric leg geometries designed to optimize device performance. This work explores this new realm of novel leg geometry by simulating the thermal and electrical performance of various leg geometries such as prismatic, hollow, and layered structures. The simulations are performed for two materials, a standard bismuth telluride material found in current commercial modules and a higher manganese silicide material proposed for low cost energy conversion in high-temperature applications. The results include the temperature gradient and electrical potential developed across individual thermoelectric legs as well as thermoelectric modules with 16 legs. Even simple hollow and layered leg geometries result in larger temperature gradients and higher output powers than the traditional cuboid structure. As a result, the clear dependence of thermal resistance and power output on leg geometry provides compelling motivation to explore additive manufacturing of thermoelectric devices.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1988

The solar simulation test of the ITALSAT thermal structural model

The ITALSAT structural/thermal model (STM) was submitted to a solar simulation test in order to verify the spacecraft thermal design and the thermal mathematical model which will be used to predict the on orbit temperatures. The STM was representative of the flight model in terms of configuration, structures, appendages and thermal hardware; dissipating dummy units were used to simulate the electronic units. The test consisted of the main phases: on station (beginning of life), on station (end of life), and transfer orbit. Preliminary results indicate that the test performances were satisfactory. The spacecraft measured temperatures were up to 15 degrees higher than the predicted ones. This imposes a careful correlation analysis in order to have reliable flight temperature predictions.

Giommi, M.↗
NASA NTRS1983

Monte Carlo simulation of steady state shock structure including cosmic ray mediation and particle escape

Both hydrodynamic calculations (Drury and Volk, 1981, and Axford et al., 1982) and kinetic simulations imply the existence of thermal subshocks in high-Mach-number cosmic-ray-mediated shocks. The injection efficiency of particles from the thermal background into the diffusive shock-acceleration process is determined in part by the sharpness and compression ratio of these subshocks. Results are reported for a Monte Carlo simulation that includes both the back reaction of accelerated particles on the inflowing plasma, producing a smoothing of the shock transition, and the free escape of particles allowing arbitrarily large overall compression ratios in high-Mach-number steady-state shocks. Energy spectra and estimates of the proportion of thermal ions accelerated to high energy are obtained.

Ellison, D. C.↗
NASA NTRS1993

Current capabilities for simulating the extreme distortion of thin structures subjected to severe impacts

The explicit transient dynamics technology in use today for simulating the impact and subsequent transient dynamic response of a structure has its origins in the 'hydrocodes' dating back to the late 1940's. The growth in capability in explicit transient dynamics technology parallels the growth in speed and size of digital computers. Computer software for simulating the explicit transient dynamic response of a structure is characterized by algorithms that use a large number of small steps. In explicit transient dynamics software there is a significant emphasis on speed and simplicity. The finite element technology used to generate the spatial discretization of a structure is based on a compromise between completeness of the representation for the physical processes modelled and speed in execution. That is, since it is expected in every calculation that the deformation will be finite and the material will be strained beyond the elastic range, the geometry and the associated gradient operators must be reconstructed, as well as complex stress-strain models evaluated at every time step. As a result, finite elements derived for explicit transient dynamics software use the simplest and barest constructions possible for computational efficiency while retaining an essential representation of the physical behavior. The best example of this technology is the four-node bending quadrilateral derived by Belytschko, Lin and Tsay. Today, the speed, memory capacity and availability of computer hardware allows a number of the previously used algorithms to be 'improved.' That is, it is possible with today's computing hardware to modify many of the standard algorithms to improve their representation of the physical process at the expense of added complexity and computational effort. The purpose is to review a number of these algorithms and identify the improvements possible. In many instances, both the older, faster version of the algorithm and the improved and somewhat slower version of the algorithm are found implemented together in software. Specifically, the following seven algorithmic items are examined: the invariant time derivatives of stress used in material models expressed in rate form; incremental objectivity and strain used in the numerical integration of the material models; the use of one-point element integration versus mean quadrature; shell elements used to represent the behavior of thin structural components; beam elements based on stress-resultant plasticity versus cross-section integration; the fidelity of elastic-plastic material models in their representation of ductile metals; and the use of Courant subcycling to reduce computational effort.

Key, Samuel W.↗
NASA NTRS2012

A Model for Simulating the Response of Aluminum Honeycomb Structure to Transverse Loading

A 1-dimensional material model was developed for simulating the transverse (thickness-direction) loading and unloading response of aluminum honeycomb structure. The model was implemented as a user-defined material subroutine (UMAT) in the commercial finite element analysis code, ABAQUS(Registered TradeMark)/Standard. The UMAT has been applied to analyses for simulating quasi-static indentation tests on aluminum honeycomb-based sandwich plates. Comparison of analysis results with data from these experiments shows overall good agreement. Specifically, analyses of quasi-static indentation tests yielded accurate global specimen responses. Predicted residual indentation was also in reasonable agreement with measured values. Overall, this simple model does not involve a significant computational burden, which makes it more tractable to simulate other damage mechanisms in the same analysis.

Ratcliffe, James G.↗
DOE OSTI2021

Precipitation Hardening in Ferroelectric Ceramics

Domain wall motion in ferroics, similar to dislocation motion in metals, can be tuned by well-concepted microstructural elements. In demanding high-power applications of piezoelectric materials, the domain wall motion is considered as a lossy hysteretic mechanism that should be restricted. Current applications for so-called hard piezoelectrics are abundant and hinge on the use of an acceptor-doping scheme. However, this mechanism features severe limitations due to enhanced mobility of oxygen vacancies at moderate temperatures. By analogy with metal technology, the authors present here a new solution for electroceramics, where precipitates are utilized to pin domain walls and improve piezoelectric properties. Through a sequence of sintering, nucleation, and precipitate growth, intragranular precipitates leading to a fine domain structure are developed as shown by transmission electron microscopy, piezoresponse force microscopy, and phase-field simulation. This structure impedes the domain wall motion as elucidated by electromechanical characterization. As a result, the mechanical quality factor is increased by ≈50% and the hysteresis in electrostrain is suppressed considerably. This is even achieved with slightly increased piezoelectric coefficient and electromechanical coupling factor. This novel process can be smoothly implemented in industrial production processes and is accessible to simple laboratory experimentation for microstructure optimization and implementation in various ferroelectric systems.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Low Velocity Earth-Penetration Test and Analysis

Modeling and simulation of structural impacts into soil continue to challenge analysts to develop accurate material models and detailed analytical simulations to predict the soil penetration event. This paper discusses finite element modeling of a series of penetrometer drop tests into soft clay. Parametric studies are performed with penetrometers of varying diameters, masses, and impact speeds to a maximum of 45 m/s. Parameters influencing the simulation such as the contact penalty factor and the material model representing the soil are also studied. An empirical relationship between key parameters is developed and is shown to correlate experimental and analytical results quite well. The results provide preliminary design guidelines for Earth impact that may be useful for future space exploration sample return missions.

Fasanella, Edwin L.↗
DOE OSTI2019

Halogen Bond Structure and Dynamics from Molecular Simulations

Halogen bonding has emerged as an important noncovalent interaction in a myriad of applications, including drug design, supramolecular assembly, and catalysis. Current understanding of the halogen bond is informed by electronic structure calculations on isolated molecules and/or crystal structures that are not readily trans- ferable to liquids and disordered phases. To address this issue, we present a first-principles simulation-based approach for quantifying halogen bonds in molecular systems rooted in an understanding of nuclei-nuclei and electron-nuclei spatial correlations. We then demonstrate how this approach can be used to quantify the structure and dynamics of halogen bonds in condensed phases, using solid and liquid molecular chlorine as prototypical examples with high concentrations of halogen bonds. We close with a discussion of how the knowledge generated by our first-principles approach may inform the development of classical empirical models, with a consistent representation of halogen bonding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Simulation Study of the Influence of Experimental Variations on the Structure and Quality of Plasma Liners

Simulation studies of a section of a spherically imploding plasma liner, formed by the merger of six hypersonic plasma jets, have been performed at conditions relevant to the Plasma Liner Experiment (PLX) [S. C. Hsu et al., IEEE Trans. Plasma Sci. 46, 1951 (2018)]. The main aim of simulations was the sensitivity study of the detailed structure of plasma liners and their global properties to experimental mass variations and timing jitter across the six plasma jets. Experimentally observable synthetic quantities have been computed using simulation data and compared with the available experimental data. Simulations predicted that the primary oblique shock wave structure is preserved at small experimental variations. At later phases of the liner implosion, primary shocks and, especially, secondary shocks are more sensitive to experimental variations. These conclusions follow from the simulation data as well as the experimental CCD camera images. Small displacements of the shock wave structures may also cause significant changes in the synthetic interferometer data at early time. Our studies showed that the global properties of the plasma liners (averaged Mach number and averaged ram pressure along leading edges of plasma liners) are not very sensitive to experimental variations. Simulation data of the liner structure were largely confirmed by the PLX experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Structure and dynamics of water confined in nanoporous carbon

We study the structure and dynamics of water confined in a nanoporous graphitic carbon structure using molecular-dynamics (MD) simulations. The carbon structure is generated by a reactive MD simulation of oxidation of a silicon carbide nanoparticle. We embed water molecules in the nanopores and study structural and dynamical properties of nanoconfined water as a function of temperature. MD simulation results indicate the presence of high-density water (HDW) and low-density water. Radial distribution functions and spatial density functions indicate that the second solvation shell of the HDW is broken. We calculate the self-diffusion coefficient of confined water molecules as a function of temperature and find a significant decrease in the diffusion of water molecules around T = 190K. The cage correlation function c(t) of confined water molecules at T = 200K exhibits stretched exponential decay, c(t) = exp[–(t/τ) β ], with β = 0.43, which matches exactly with the theoretical prediction β = 3/7. Finally, the self-intermediate scattering function at T = 200K indicates differences in small-scale and large-scale dynamics of water molecules.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Advances and trends in computational structural mechanics

Recent developments in computational structural mechanics are reviewed with reference to computational needs for future structures technology, advances in computational models for material behavior, discrete element technology, assessment and control of numerical simulations of structural response, hybrid analysis, and techniques for large-scale optimization. Research areas in computational structural mechanics which have high potential for meeting future technological needs are identified. These include prediction and analysis of the failure of structural components made of new materials, development of computational strategies and solution methodologies for large-scale structural calculations, and assessment of reliability and adaptive improvement of response predictions.

Noor, A. K.↗
NASA NTRS1992

Structural development of Topex/Poseidon satellite

The Topex/Poseidon satellite's structural development approach adhered to more stringent requirements than previous efforts, since this spacecraft must withstand not only launch/flight loads but also those planned for the 'protoflight' vehicle's structural and environmental tests. There requirements encompassed conservatively estimated design loads, high safety factors, and extensive analytical simulations. The structural adequacy of the satellite was verified by means of a ground testing program to comply with both JPL institutional requirements and Arianespace requirements. Modal survey tests of the satellite have been successfully completed.

Lou, Michael C.↗
NASA NTRS2009

Molecular Modeling for Calculation of Mechanical Properties of Epoxies with Moisture Ingress

Atomistic models of epoxy structures were built in order to assess the effect of crosslink degree, moisture content and temperature on the calculated properties of a typical representative generic epoxy. Each atomistic model had approximately 7000 atoms and was contained within a periodic boundary condition cell with edge lengths of about 4 nm. Four atomistic models were built with a range of crosslink degree and moisture content. Each of these structures was simulated at three temperatures: 300 K, 350 K, and 400 K. Elastic constants were calculated for these structures by monitoring the stress tensor as a function of applied strain deformations to the periodic boundary conditions. The mechanical properties showed reasonably consistent behavior with respect to these parameters. The moduli decreased with decreasing crosslink degree with increasing temperature. The moduli generally decreased with increasing moisture content, although this effect was not as consistent as that seen for temperature and crosslink degree.

Clancy, Thomas C.↗
NASA NTRS1993

Probabilistic simulation of the human factor in structural reliability

A formal approach is described in an attempt to computationally simulate the probable ranges of uncertainties of the human factor in structural probabilistic assessments. A multi-factor interaction equation (MFIE) model has been adopted for this purpose. Human factors such as marital status, professional status, home life, job satisfaction, work load and health, are considered to demonstrate the concept. Parametric studies in conjunction with judgment are used to select reasonable values for the participating factors (primitive variables). Suitability of the MFIE in the subsequently probabilistic sensitivity studies are performed to assess the validity of the whole approach. Results obtained show that the uncertainties for no error range from five to thirty percent for the most optimistic case.

Chamis, C. C.↗
DOE OSTI2019

High-throughput simulations for insight into grain boundary structure-property relationships and other complex microstructural phenomena

High-throughput simulations can be a powerful tool in the discovery of new materials and behaviors. As part of a special issue on Rising Stars in Computational Materials Science, this paper uses the work of the author to show how high-throughput simulations have had an impact in grain boundary structure-property relationships and other complex microstructural phenomena. The work demonstrates how new tools designed to analyze large datasets produced by high-throughput simulations are enabling comprehensive grain boundary structure-property relationships to be obtained. High-throughput simulations are also used to demonstrate the impact descriptive and inferential statistics has had in extracting key aspects of deformation in metallic glasses. Finally, several different examples are used to show a balanced approach between simulations designed to survey and simulations designed for detailed analysis. Together, the two approaches provide a comprehensive picture of the variety of behaviors that exist, while ensuring that the physics underlying the behaviors are thoroughly understood.

36 MATERIALS SCIENCE↗