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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2023

Thermomechanical Property Prediction of Amorphous and Crystal PEKK via Molecular Dynamics

Traditionally, advanced aerospace composites have been manufactured using thermoset resins. However, recently, thermoplastics have been investigated for use in the manufacturing of composite materials due to their unique manufacturing characteristics. Thermoplastic resins can be reshaped and formed, along with the added benefit of being recyclable, which thermoset resin cannot. Thermoplastic materials undergo a crystallization process during manufacturing which affects the percent crystallinity of the material. The crystallization needs to be understood better to maximize the potential of thermoplastic resins. PEKK is a thermoplastic material with good chemical, thermal, and mechanical loading resistance. PEKK is also a material NASA is interested in for developing new bonded joint technology. The crystalline microstructure of PEKK is at the micrometer length scale, and it is of interest to model the effects of the crystallinity structure on PEKK’s bulk properties. Molecular dynamics (MD) is a simulation tool that allows for property-structure relationships between atomistic structure and nanometer-length portions of a material. This makes MD a useful tool for developing the structure-property relationship of PEKK. However, the micrometer length scale of PEKK’s crystal structure is too large for MD. Thus, a hybrid approach to modeling PEKK’s microstructure is proposed in this work where MD models are built of both the amorphous and crystalline phases of PEKK. The engineering material properties can be obtained using MD at the nanometer length scale. A micromechanics approach can then generate the micrometer length scale of the crystallinity and the effective properties can be homogenized. The objective of this paper is to show the MD model workflow and the MD-predicted properties of PEKK. The properties can then be homogenized with different crystalline percentages to build design graphs that can be used to tailor PEKK for specific composite applications.

poly ether ketone ketone↗
NASA NTRS1987

Simulation of automatic precision departures and missed approaches using the microwave landing system

Results of simulated precision departures and missed approaches using MLS guidance concepts are presented. The study was conducted under the Terminal Configured Vehicle (TCV) Program, and is an extension of previous work by DAC under the Advanced Transport Operating System (ATOPS) Technology Studies Program. The study model included simulation of an MD-80 aircraft, an autopilot, and a MLS guidance computer that provided lateral and vertical steering commands. Precision departures were evaluated using a noise abatement procedure. Several curved path departures were simulated with MLS noise and under various environmental conditions. Missed approaches were considered for the same runway, where lateral MLS guidance maintained the aircraft along the extended runway centerline. In both the departures and the missed approach cases, pitch autopilot takeoff and go-around modes of operation were used in conjunction with MLS lateral guidance.

Feather, J. B.↗
NASA NTRS1991

Microwave landing system autoland system analysis

The objective was to investigate the ability of present day aircraft equipped with automatic flight control systems to fly advanced Microwave Landing Systems (MLS) approaches. The tactical approach used to achieve this objective included reviewing the design and autoland operation of the MD-80 aircraft, simulating the MLS approaches using a batch computer program, and assessing the performance of the autoland system from computer generated data. The results showed changes were required to present Instrument Landing System (ILS) procedures to accommodate the new MLS curved paths. It was also shown that in some cases, changes to the digital flight guidance systems would be required so that an autoland could be performed.

Feather, J. B.↗
NASA NTRS1999

Nanomechanics of Carbon and CxByNz Nanotubes: Via a Quantum Molecular Dynamics Method

Nanomechanics of single-wall C, BN and BC$_3$ and B doped C nanotubes under axial compression and tension are investigated through a generalized tight-binding molecular dynamics (GTBMD) and {\it ab-initio} electronic structure methods. The dynamic strength of BN, BC$_3$ and B doped C nanotubes for small axial strain are comparable to each other. The main difference is in the critical strain at which structural collapse occurs. For example, even a shallow doping with B lowers the value of critical strain for C nanotubes. The critical strain for BN nanotube is found to be more than that for the similar C nanotube. Once the structural collapse starts to occur we find that carbon nanotubes irreversibly go into plastic deformation regime via the formation of tetrahedral (four-fold coordinated) bonds at the location of sharp pinches or kinks. This finding is considerably different from the classical MD (molecular dynamics) simulation results known so far. The energetics and electronic densities of states of the collapsed structures, investigated with {\it ab-initio) methods, will also be discussed.

Srivastava, Deepak↗
NASA NTRS2010

System-Integrated Finite Element Analysis of a Full-Scale Helicopter Crash Test with Deployable Energy Absorbers

A full-scale crash test of an MD-500 helicopter was conducted in December 2009 at NASA Langley's Landing and Impact Research facility (LandIR). The MD-500 helicopter was fitted with a composite honeycomb Deployable Energy Absorber (DEA) and tested under vertical and horizontal impact velocities of 26-ft/sec and 40-ft/sec, respectively. The objectives of the test were to evaluate the performance of the DEA concept under realistic crash conditions and to generate test data for validation of a system integrated finite element model. In preparation for the full-scale crash test, a series of sub-scale and MD-500 mass simulator tests was conducted to evaluate the impact performances of various components, including a new crush tube and the DEA blocks. Parameters defined within the system integrated finite element model were determined from these tests. The objective of this paper is to summarize the finite element models developed and analyses performed, beginning with pre-test predictions and continuing through post-test validation.

Annett, Martin S.↗
NASA NTRS2010

LS-DYNA Analysis of a Full-Scale Helicopter Crash Test

A full-scale crash test of an MD-500 helicopter was conducted in December 2009 at NASA Langley's Landing and Impact Research facility (LandIR). The MD-500 helicopter was fitted with a composite honeycomb Deployable Energy Absorber (DEA) and tested under vertical and horizontal impact velocities of 26 ft/sec and 40 ft/sec, respectively. The objectives of the test were to evaluate the performance of the DEA concept under realistic crash conditions and to generate test data for validation of a system integrated LS-DYNA finite element model. In preparation for the full-scale crash test, a series of sub-scale and MD-500 mass simulator tests was conducted to evaluate the impact performances of various components, including a new crush tube and the DEA blocks. Parameters defined within the system integrated finite element model were determined from these tests. The objective of this paper is to summarize the finite element models developed and analyses performed, beginning with pre-test and continuing through post test validation.

Annett, Martin S.↗
NASA NTRS2012

Development and Calibration of a System-Integrated Rotorcraft Finite Element Model for Impact Scenarios

Two full-scale crash tests of an MD-500 helicopter were conducted in 2009 and 2010 at NASA Langley's Landing and Impact Research Facility in support of NASA s Subsonic Rotary Wing Crashworthiness Project. The first crash test was conducted to evaluate the performance of an externally mounted composite deployable energy absorber (DEA) under combined impact conditions. In the second crash test, the energy absorber was removed to establish baseline loads that are regarded as severe but survivable. The presence of this energy absorbing device reduced the peak impact acceleration levels by a factor of three. Accelerations and kinematic data collected from the crash tests were compared to a system-integrated finite element model of the test article developed in parallel with the test program. In preparation for the full-scale crash test, a series of sub-scale and MD-500 mass simulator tests were conducted to evaluate the impact performances of various components and subsystems, including new crush tubes and the DEA blocks. Parameters defined for the system-integrated finite element model were determined from these tests. Results from 19 accelerometers placed throughout the airframe were compared to finite element model responses. The model developed for the purposes of predicting acceleration responses from the first crash test was inadequate when evaluating more severe conditions seen in the second crash test. A newly developed model calibration approach that includes uncertainty estimation, parameter sensitivity, impact shape orthogonality, and numerical optimization was used to calibrate model results for the full-scale crash test without the DEA. This combination of heuristic and quantitative methods identified modeling deficiencies, evaluated parameter importance, and proposed required model changes. The multidimensional calibration techniques presented here are particularly effective in identifying model adequacy. Acceleration results for the calibrated model were compared to test results and the original model results. There was a noticeable improvement in the pilot and copilot region, a slight improvement in the occupant model response, and an over-stiffening effect in the passenger region. One lesson learned was that this approach should be adopted early on, in combination with the building-block approaches that are customarily used, for model development and pretest predictions. Complete crash simulations with validated finite element models can be used to satisfy crash certification requirements, potentially reducing overall development costs.

Annett, Martin S.↗
NASA NTRSDate not supplied

Overview of Ablative TPS Modeling at NASA Ames

Over the past decade, NASA has invested in efforts to build predictive thermal protection system (TPS) material models from the micro-scale to the macro-scale. To complement the mission design cycle process and reduce the need for extensive testing, NASA is developing modeling and simulation tools that enable characterizing material properties and response to hot plasma experienced during atmospheric entry. Traditional material response and ablation modeling tools, such as the heritage code FIAT, and its multidimensional siblings, TITAN and 3dFIAT, are being complemented with newly developed software such as Icarus and PATO. Both of these programs are three-dimensional, finite-volume solvers that use unstructured meshes and 21st century programming paradigms to allow for efficient parallel simulations. FIAT and Icarus are also used for TPS sizing purposes. Today, these traditional tools are being supplemented with computational materials models at the atomistic level. The scales of interest range from computational chemistry (Density Functional Theory [DFT]), to atomistic simulations (Molecular Dynamics [MD]), to the microscale with the Porous Microstructure Analysis (PuMA) software that was recently awarded the 2022 NASA Software of the Year award. Finally, thermo-structural modeling is also of interest to the TPS Materials branch and done using commercial tools such as MSC MARC, MENTAT, NASTRAN and PATRAN. The present talk will also link the use of these computational tools to current NASA missions and projects associated with challenging and complex vehicles entries/reentries.

materials modeling↗
NASA NTRS2022

Parallel Grand-Canonical Monte Carlo (ParaGrandMC) User’s Manual Version 2.0

This manual describes the commands and command line options for the Parallel Grand Canonical Monte Carlo version 2.0 (ParaGrandMC.2.0) simulation code. This is a highly scalable parallel FORTRAN 2003 code for simulating the thermodynamic evolution of materials at the atomic level, and predicting their thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is specifically designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces. In addition to performing Monte Carlo (MC) simulations, the code can also perform Molecular Dynamics (MD) and Langevin Dynamics (LD) simulations, which can be combined and interchanged with MC for faster and more efficient system evolution. A detailed description of the MC part of the code is provided in the NASA ParaGrandMC report: NASA/CR–2016-219202; http://www.sti.nasa.gov.

High performance computing↗
NASA NTRS2006

Hybrid MD-Nernst Planck Model of Alpha-hemolysin Conductance Properties

Motivated by experiments in which an applied electric field translocates polynucleotides through an alpha-hemolysin protein channel causing ionic current transient blockade, a hybrid simulation model is proposed to predict the conductance properties of the open channel. Time scales corresponding to ion permeation processes are reached using the Poisson-Nemst-Planck (PNP) electro-diffusion model in which both solvent and local ion concentrations are represented as a continuum. The diffusion coefficients of the ions (K(+) and Cl(-)) input in the PNP model are, however, calculated from all-atom molecular dynamics (MD). In the MD simulations, a reduced representation of the channel is used. The channel is solvated in a 1 M KCI solution, and an external electric field is applied. The pore specific diffusion coefficients for both ionic species are reduced 5-7 times in comparison to bulk values. Significant statistical variations (17-45%) of the pore-ions diffusivities are observed. Within the statistics, the ionic diffusivities remain invariable for a range of external applied voltages between 30 and 240mV. In the 2D-PNP calculations, the pore stem is approximated by a smooth cylinder of radius approx. 9A with two constriction blocks where the radius is reduced to approx. 6A. The electrostatic potential includes the contribution from the atomistic charges. The MD-PNP model shows that the atomic charges are responsible for the rectifying behaviour and for the slight anion selectivity of the a-hemolysin pore. Independent of the hierarchy between the anion and cation diffusivities, the anionic contribution to the total ionic current will dominate. The predictions of the MD-PNP model are in good agreement with experimental data and give confidence in the present approach of bridging time scales by combining a microscopic and macroscopic model.

Cozmuta, Ioana↗
NASA NTRS1987

Direct simulation of high-vorticity gas flows

The computational limitations associated with the molecular dynamics (MD) method and the direct simulation Monte Carlo (DSMC) method are reviewed in the context of the computation of dilute gas flows with high vorticity. It is concluded that the MD method is generally limited to the dense gas case in which the molecular diameter is one-tenth or more of the mean free path. It is shown that the cell size in DSMC calculations should be small in comparison with the mean free path, and that this may be facilitated by a new subcell procedure for the selection of collision partners.

Bird, G. A.↗
NASA NTRS1997

Emergency Flight Control Using Only Engine Thrust and Lateral Center-of-Gravity Offset: A First Look

Normally, the damage that results in a total loss of the primary flight controls of a jet transport airplane, including all engines on one side, would be catastrophic. In response, NASA Dryden has conceived an emergency flight control system that uses only the thrust of a wing-mounted engine along with a lateral center-of-gravity (CGY) offset from fuel transfer. Initial analysis and simulation studies indicate that such a system works, and recent high-fidelity simulation tests on the MD-11 and B-747 suggest that the system provides enough control for a survivable landing. This paper discusses principles of flight control using only a wing engine thrust and CGY offset, along with the amount of CGY offset capability of some transport airplanes. The paper also presents simulation results of the throttle-only control capability and closed-loop control of ground track using computer-controlled thrust.

Burcham, Frank W., Jr.↗
NASA NTRS1992

Evaluation of microwave landing system approaches in a wide-body transport simulator

The objective of this study was to determine the suitability of flying complex curved approaches using the microwave landing system (MLS) with a wide-body transport aircraft. Fifty pilots in crews of two participated in the evaluation using a fixed-base simulator that emulated an MD-11 aircraft. Five approaches, consisting of one straight-in approach and four curved approaches, were flown by the pilots using a flight director. The test variables include the following: (1) manual and autothrottles; (2) wind direction; and (3) type of navigation display. The navigation display was either a map or a horizontal situation indicator (HSI). A complex wind that changed direction and speed with altitude, and included moderate turbulence, was used. Visibility conditions were Cat 1 or better. Subjective test data included pilot responses to questionnaires and pilot comments. Objective performance data included tracking accuracy, position error at decision height, and control activity. Results of the evaluation indicate that flying curved MLS approaches with a wide-body transport aircraft is operationally acceptable, depending upon the length of the final straight segment and the complexity of the approach.

Summers, L. G.↗
NASA NTRS2007

A Statistical Approach for the Concurrent Coupling of Molecular Dynamics and Finite Element Methods

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, increasing the size of the MD domain quickly presents intractable computational demands. A robust approach to surmount this computational limitation has been to unite continuum modeling procedures such as the finite element method (FEM) with MD analyses thereby reducing the region of atomic scale refinement. The challenging problem is to seamlessly connect the two inherently different simulation techniques at their interface. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the typical boundary value problem used to define a coupled domain. The method uses statistical averaging of the atomistic MD domain to provide displacement interface boundary conditions to the surrounding continuum FEM region, which, in return, generates interface reaction forces applied as piecewise constant traction boundary conditions to the MD domain. The two systems are computationally disconnected and communicate only through a continuous update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM) as opposed to a direct coupling method where interface atoms and FEM nodes are individually related. The methodology is inherently applicable to three-dimensional domains, avoids discretization of the continuum model down to atomic scales, and permits arbitrary temperatures to be applied.

Saether, E.↗
NASA NTRSDate not supplied

Analysis of the Value Added When Deploying a Model-Based Approach for the Validation and Verification of the Medical Database Software

The Medical Database (MD) is a virtual repository consisting of two software components: Medical Item Database (MedID) and the Evidence Library (EL). MedID consists of engineering data and associated information for specific medical resource items (e.g., pharmaceutical, medical devices, and supporting components), while the EL is a tool which provides all of the medical evidence necessary. The MD will 1) serve as the single “source of truth” for the Informing Mission Planning via Analysis of Complex Tradespaces (IMPACT) tool suite for both medical evidence and medical resource engineering data and 2) will be used in conjunction with the IMPACT tool suite to inform research prioritizations and perform systematic trade study evaluations to aid stakeholders in making informed decisions regarding simulated human spaceflight missions. The MD project used a Model-Based Systems Engineering (MBSE) approach to support all life cycles of the software development, while in parallel the human factors engineering team used modeling to support Human Centered Design (HCD) strategies in an effort to improve software usability. HCD is a frequently used approach in design frameworks that develops resolutions to complexities and challenges by involving the human perspective in all steps of the problem-solving process. By integrating the model-based approaches used for systems engineering and human factors activities, the project is able to leverage the model-based artifacts originally created for HCD activities for system level and human factors validation. In this presentation, our team highlights the value added when leveraging these model-based artifacts to support the on-going verification and validation activities.

C. Laing↗
NASA NTRS1988

Simulated final approach path captures using the microwave landing system

Computer simulation results are presented for intercepting final approach paths using various Microwave Landing System (MLS) path capture concepts. This study, conducted under the Advanced Transport Operating System (ATOPS) program, simulated these captures using the MD-80 aircraft as the study model. Several different capture concepts were investigated. Systems that could be retrofitted into existing aircraft with minimum hardware and software changes were considered. An enhanced ILS look-alike capture provided improved tracking performance over conventional ILS without using a full-up path computer. The other concepts used waypoint databases and path computers to provide smart captures. These captures included lateral path intercepts as well as vertical path control. Winds, turbulence, and MLS noise were included in the simulation. In all cases, acceptable tracking errors were obtained during transition to the final approach path.

Feather, J. B.↗
NASA NTRS2015

Spatial Variability of Trace Gases During DISCOVER-AQ: Planning for Geostationary Observations of Atmospheric Composition

Results from an in-depth analysis of trace gas variability in MD indicated that the variability in this region was large enough to be observable by a TEMPO-like instrument. The variability observed in MD is relatively similar to the other three campaigns with a few exceptions: CO variability in CA was much higher than in the other regions; HCHO variability in CA and CO was much lower; MD showed the lowest variability in NO2All model simulations do a reasonable job simulating O3 variability. For CO, the CACO simulations largely under over estimate the variability in the observations. The variability in HCHO is underestimated for every campaign. NO2 variability is slightly overestimated in MD, more so in CO. The TX simulation underestimates the variability in each trace gas. This is most likely due to missing emissions sources (C. Loughner, manuscript in preparation).Future Work: Where reasonable, we will use these model outputs to further explore the resolvability from space of these key trace gases using analyses of tropospheric column amounts relative to satellite precision requirements, similar to Follette-Cook et al. (2015).

trace gas↗