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Fracture Prediction of Epoxy Resin using Morse Bond Potential Embedded in GAFF using Molecular Dynamics Simulations

A generic method is developed to investigate the fracture behavior of an epoxy resin using atomistic molecular (MD) dynamics simulations. The epoxy system consisted of the stoichiometric mixture of tetra-/tri-functional epoxies and di-functional hardener molecules and was cured with a step-growth crosslinking algorithm. A hybrid force field (hFF) in which Morse bond function were added in second generation-general Amber Force Field (GAFF2) was used to capture bond breaking of the crosslinked epoxy system under uniaxial deformation. The Morse bond parameters for covalent bonds in the crosslinked backbone were fit to dissociation curves computed by CASPT2/6-311+G**. After the systems in various crosslink densities were obtained and equilibrated, the full length of stress-strain (𝜎-𝜀) curve was produced including initial elastic regime, yielding, plastic flow, strain hardening, and progressive failure. We found that the hFF was effective in studying the dissociation of crosslinked polymers and understanding the failure mechanism. In the results, the hFF delivered the same elastic property obtained from the unmodified force field GAFF. The stress-strain curve, however, began to be distinct in the plastic regime due to broken covalent bonds capable of altering the tensile behavior. Once the stress reached maximum, it progressively decreased until the ultimate failure (𝜎=0). Since hFF employed the existing GAFF functions with including a minimal change of its bond potential, this approach is easier to perform and computationally more efficient for unveiling the fracture behavior of polymer materials at the molecular level than other approaches with reactive force fields. We expect this approach will be utilized to accelerate the material-by-design process for thermosets by incorporate data from molecular models.

Changwoon Jang↗

NASA NTRS2003

Fabricating Composite-Material Structures Containing SMA Ribbons

An improved method of designing and fabricating laminated composite-material (matrix/fiber) structures containing embedded shape-memory-alloy (SMA) actuators has been devised. Structures made by this method have repeatable, predictable properties, and fabrication processes can readily be automated. Such structures, denoted as shape-memory-alloy hybrid composite (SMAHC) structures, have been investigated for their potential to satisfy requirements to control the shapes or thermoelastic responses of themselves or of other structures into which they might be incorporated, or to control noise and vibrations. Much of the prior work on SMAHC structures has involved the use SMA wires embedded within matrices or within sleeves through parent structures. The disadvantages of using SMA wires as the embedded actuators include (1) complexity of fabrication procedures because of the relatively large numbers of actuators usually needed; (2) sensitivity to actuator/ matrix interface flaws because voids can be of significant size, relative to wires; (3) relatively high rates of breakage of actuators during curing of matrix materials because of sensitivity to stress concentrations at mechanical restraints; and (4) difficulty of achieving desirable overall volume fractions of SMA wires when trying to optimize the integration of the wires by placing them in selected layers only.

Turner, Travis L.↗

NASA NTRS2004

Growing High-Quality InAs Quantum Dots for Infrared Lasers

An improved method of growing high-quality InAs quantum dots embedded in lattice-matched InGaAs quantum wells on InP substrates has been developed. InAs/InGaAs/InP quantum dot semiconductor lasers fabricated by this method are capable of operating at room temperature at wavelengths greater than or equal to 1.8 mm. Previously, InAs quantum dot lasers based on InP substrates have been reported only at low temperature of 77 K at a wavelength of 1.9 micrometers. In the present method, as in the prior method, one utilizes metalorganic vapor phase epitaxy to grow the aforementioned semiconductor structures. The development of the present method was prompted in part by the observation that when InAs quantum dots are deposited on an InGaAs layer, some of the InAs in the InGaAs layer becomes segregated from the layer and contributes to the formation of the InAs quantum dots. As a result, the quantum dots become highly nonuniform; some even exceed a critical thickness, beyond which they relax. In the present method, one covers the InGaAs layer with a thin layer of GaAs before depositing the InAs quantum dots. The purpose and effect of this thin GaAs layer is to suppress the segregation of InAs from the InGaAs layer, thereby enabling the InAs quantum dots to become nearly uniform (see figure). Devices fabricated by this method have shown near-room-temperature performance.

Qiu, Yueming↗

NASA NTRS1992

A numerical model for coupling between atomization and spray dynamics in liquid rocket thrust chambers

This paper describes a novel method of coupling the atomization and spray combustion processes encountered in coaxial injection elements of liquid rocket engine thrust chambers. This method is based on the Jet-Embedding technique in which the liquid jet core equations and the gas phase equations are solved separately. The liquid and gas phase solutions, however, are coupled through the boundary conditions at the interface between the phases. The computational grid for the gas phase calculations are adapted to the shape of the liquid jet core. The axial variation of droplet sizes are calculated using a stability analysis appropriate for the atomization regime of liquid jet breakup. The predictions of this method have been validated with experimental data on low speed water jets. Using this method, calculations are performed for the SSME fuel preburner single injector flow field. The results obtained are in good agreement with the predictions of the volume-of-fluid method.

Giridharan, M. G.↗

NASA NTRS2014

Open Circuit Resonant (SansEC) Sensor Technology for Lightning Mitigation and Damage Detection and Diagnosis for Composite Aircraft Applications

Traditional methods to protect composite aircraft from lightning strike damage rely on a conductive layer embedded on or within the surface of the aircraft composite skin. This method is effective at preventing major direct effect damage and minimizes indirect effects to aircraft systems from lightning strike attachment, but provides no additional benefit for the added parasitic weight from the conductive layer. When a known lightning strike occurs, the points of attachment and detachment on the aircraft surface are visually inspected and checked for damage by maintenance personnel to ensure continued safe flight operations. A new multi-functional lightning strike protection (LSP) method has been developed to provide aircraft lightning strike protection, damage detection and diagnosis for composite aircraft surfaces. The method incorporates a SansEC sensor array on the aircraft exterior surfaces forming a "Smart skin" surface for aircraft lightning zones certified to withstand strikes up to 100 kiloamperes peak current. SansEC sensors are open-circuit devices comprised of conductive trace spiral patterns sans (without) electrical connections. The SansEC sensor is an electromagnetic resonator having specific resonant parameters (frequency, amplitude, bandwidth & phase) which when electromagnetically coupled with a composite substrate will indicate the electrical impedance of the composite through a change in its resonant response. Any measureable shift in the resonant characteristics can be an indication of damage to the composite caused by a lightning strike or from other means. The SansEC sensor method is intended to diagnose damage for both in-situ health monitoring or ground inspections. In this paper, the theoretical mathematical framework is established for the use of open circuit sensors to perform damage detection and diagnosis on carbon fiber composites. Both computational and experimental analyses were conducted to validate this new method and system for aircraft composite damage detection and diagnosis. Experimental test results on seeded fault damage coupons and computational modeling simulation results are presented. This paper also presents the shielding effectiveness along with the lightning direct effect test results from several different SansEC LSP and baseline protected and unprotected carbon fiber reinforced polymer (CFRP) test panels struck at 40 and 100 kiloamperes following a universal common practice test procedure to enable damage comparisons between SansEC LSP configurations and common practice copper mesh LSP approaches. The SansEC test panels were mounted in a LSP test bed during the lightning test. Electrical, mechanical and thermal parameters were measured during lightning attachment and are presented with post test nondestructive inspection comparisons. The paper provides correlational results between the SansEC sensors computed electric field distribution and the location of the lightning attachment on the sensor trace and visual observations showing the SansEC sensor's affinity for dispersing the lightning attachment.

Szatkowski, George N.↗

NASA NTRS2002

Progress in the Simulation of Steady and Time-Dependent Flows with 3D Parallel Unstructured Cartesian Methods

The proposed paper will present recent extensions in the development of an efficient Euler solver for adaptively-refined Cartesian meshes with embedded boundaries. The paper will focus on extensions of the basic method to include solution adaptation, time-dependent flow simulation, and arbitrary rigid domain motion. The parallel multilevel method makes use of on-the-fly parallel domain decomposition to achieve extremely good scalability on large numbers of processors, and is coupled with an automatic coarse mesh generation algorithm for efficient processing by a multigrid smoother. Numerical results are presented demonstrating parallel speed-ups of up to 435 on 512 processors. Solution-based adaptation may be keyed off truncation error estimates using tau-extrapolation or a variety of feature detection based refinement parameters. The multigrid method is extended to for time-dependent flows through the use of a dual-time approach. The extension to rigid domain motion uses an Arbitrary Lagrangian-Eulerlarian (ALE) formulation, and results will be presented for a variety of two- and three-dimensional example problems with both simple and complex geometry.

Aftosmis, M. J.↗

NASA NTRS1992

A numerical model for atomization-spray coupling in liquid rocket thrust chambers

The physical process of atomization is an important consideration in the stable operation of liquid rocket engines. Many spray combustion computational fluid dynamics (CFD) codes do not include an atomization sub-model but assume arbitrary drop size distributions, drop initial locations, and velocities. A method of coupling an atomization model with the spray model in a REFLEQS CFD code is presented. This method is based on a jet-embedding technique in which the equations governing the liquid jet core are solved separately using the surrounding gas phase conditions. The droplet initial conditions are calculated using a stability analysis appropriate for the atomization regime of liquid jet break-up. This novel coupling model is used to analyze the SSME fuel preburner single injector flow. Results of the diffusion flame characteristics in a single injection element will be presented. The effect of relative velocity, mixture ratio and droplet initial conditions will be shown. The predictions of present atomization model is compared with that of the widely used CICM correlation. The results are also compared with the predictions of volume-of-fluid method.

M. G. Giridharan↗

NASA NTRS2015

Numerical Computation of a Continuous-thrust State Transition Matrix Incorporating Accurate Hardware and Ephemeris Models

A significant body of work exists showing that providing a nonlinear programming (NLP) solver with expressions for the problem constraint gradient substantially increases the speed of program execution and can also improve the robustness of convergence, especially for local optimizers. Calculation of these derivatives is often accomplished through the computation of spacecraft's state transition matrix (STM). If the two-body gravitational model is employed as is often done in the context of preliminary design, closed form expressions for these derivatives may be provided. If a high fidelity dynamics model, that might include perturbing forces such as the gravitational effect from multiple third bodies and solar radiation pressure is used then these STM's must be computed numerically. We present a method for the power hardward model and a full ephemeris model. An adaptive-step embedded eight order Dormand-Prince numerical integrator is discussed and a method for the computation of the time of flight derivatives in this framework is presented. The use of these numerically calculated derivatieves offer a substantial improvement over finite differencing in the context of a global optimizer. Specifically the inclusion of these STM's into the low thrust missiondesign tool chain in use at NASA Goddard Spaceflight Center allows for an increased preliminary mission design cadence.

Low Thrust↗

NASA NTRS2006

Nonlinear Spring Finite Elements for Predicting Mode I-Dominated Delamination Growth in Laminated Structure with Through-Thickness reinforcement

One particular concern of polymer matrix composite laminates is the relatively low resistance to delamination cracking, in particular when the dominant type of failure is mode I opening. One method proposed for alleviating this problem involves the insertion pultruded carbon pins through the laminate thickness. The pins, known as z-pins, are inserted into the prepreg laminate using an ultrasonic hammer prior to the curing process, resulting in a field of pins embedded normal to the laminate plane as illustrated in Figure. 1. Pin diameters range between 0.28-mm to 0.5-mm and standard areal densities range from 0.5% to 4%. The z-pins are provided by the manufacturer, Aztex(Registered TradeMark) , in a low-density foam preform, which acts to stabilize orientation of the pins during the insertion process [1-3]. Typical pin materials include boron and carbon fibers embedded in a polymer matrix. A number of methods have been developed for predicting delamination growth in laminates reinforced with z-pins. During a study on the effect of z-pin reinforcement on mode I delamination resistance, finite element analyses of z-pin reinforced double cantilever beam (DCB) specimens were performed by Cartie and Partridge [4]. The z-pin bridging stresses were modeled by applying equivalent forces at the pin locations. Single z-pin pull-out tests were performed to characterize the traction law of the pins under mode I loading conditions. Analytical solutions for delamination growth in z-pin reinforced DCB specimens were independently derived by Robinson and Das [5] and Ratcliffe and O'Brien [6]. In the former case, pin bridging stresses were modeled using a distributed load and in the latter example the bridging stresses were discretely modeled by way of grounded springs. Additionally, Robinson and Das developed a data reduction strategy for calculating mode I fracture toughness, G(sub Ic), from a z-pin reinforced DCB specimen test [5]. In both cases a traction law similar to that adopted by Cartie and Partridge was used to represent z-pin failure under mode I loading conditions. In the current work spring elements available in most commercial finite element codes were used to model z-pins. The traction law used in previous analyses [4-6] was employed to represent z-pin damage. This method is intended for and is limited to simulating z-pins in composite laminate structure containing mode I-dominated delamination cracking. The current technique differs from previous analyses in that spring finite elements (available in commercial codes) are employed for simulating zpins, reducing the complexity of the analysis construction process. Furthermore, the analysis method can be applied to general structure that experiences mode I-dominated delamination cracking, in contrast to existing analytical solutions that are only applicable to coupon DCB specimens.

Ratcliffe, James G.↗

NASA NTRS1975

Calculations of unsteady turbulent boundary layers with flow reversal

The results are presented of a series of computational experiments aimed at studying the characteristics of time-dependent turbulent boundary layers with embedded reversed-flow regions. A calculation method developed earlier was extended to boundary layers with reversed flows for this purpose. The calculations were performed for an idealized family of external velocity distributions, and covered a range of degrees of unsteadiness. The results confirmed those of previous studies in demonstrating that the point of flow reversal is nonsingular in a time-dependent boundary layer. A singularity was observed to develop downstream of reversal, under certain conditions, accompanied by the breakdown of the boundary-layer approximations. A tentative hypothesis was advanced in an attempt to predict the appearance of the singularity, and is shown to be consistent with the calculated results.

Nash, J. F.↗

NASA NTRS1979

Characterization of constraint effects on flaw growth

Experimental results have been presented for the case of a flawed unidirectional lamina constrained by off-axis unflawed plies under static and fatigue loading. Flaw growth in the interior of the laminate, around the embedded flaw, was followed by nondestructive testing methods including video-thermographs and ultrasonic C-scan schemes. Two aspects of the results were distinctive. There was an effort of lamination on damage development which was independent of the presence of the notch, and effects which were directly related to the influence of the notch on the local situation. The results are compared with sectioning studies, surface replication, and stiffness change measurements.

Yeung, P. C.↗

NASA NTRS1981

A multigrid mesh embedding technique for three dimensional transonic potential flow analysis

A method for obtaining the fine detail of a transonic flowfield is presented. The technique employs the multigrid method to embed very dense meshes in regions of interest. Accurate results are obtained on meshes of a heretofore unobtainable density with reasonable computer expenditures. Comparisons of results with data reveal accurate predictions in the supersonic bubble of a transonic inlet, an area which is incorrectly predicted by existing techniques. More accurate results are also obtained with the new method on a mesh of a density comparable to existing codes and at a lower cost.

Brown, J. J.↗

NASA NTRS1984

Grid flexibility and patching techniques

The numerical determination of combustor flowfields is of great value to the combustor designer. An a priori knowledge of the flow behavior can speed the combustor design process and reduce the number of experimental test rigs required to arrive at an optimal design. Even 2-D steady incompressible isothermal flow predictions are of use; many codes of this kind are available, each employing different techniques to surmount the difficulties arising from the nonlinearity of the governing equations and from typically irregular combustor geometries. Mapping techniques (algebraic and elliptic PDE), and adaptive grid methods (both multi-grid and grid embedding) as applied to axisymmetric combustors are discussed.

Keith, T. G.↗

NASA NTRS1986

A new method for fabrication of diamond-dust blocking filters

Thermal embedding of diamond dust onto a polyethylene-coated Al plate has been used to make a blocking filter for FIR applications. The Al plate is sandwiched between two Mylar 'blankets' and the air between the layers is removed by means of a small vacuum pump. After the polyethylene is heated and softened, the diamond dust is applied to the polyethylene coating using a brush. The optimum diamond dust grain sizes corresponding to polyethylene layer thicknesses of 9-12 microns are given in a table, and the application of the blocking filter to spectrometric measurements in the FIR is described. An exploded view diagram of the layered structure of the blocking filter is provided.

Collard, H. R.↗

NASA NTRS1986

Desingularization of periodic vortex sheet roll-up

An analytical approach is used in an attempt to model the evolution of a vortex sheet past the critical time by means of a desingularization method. Evolution of the sheet, which is embedded in a two-dimensional flow, is described by approximating the total circulation between a fixed material point and an imaginary point on the curve of the flow. A linear dispersion relation is defined which shows that the short wavelength modes of the sheet are not unstable and therefore do adversely effect the computations as artifacts of round-off errors. The desingularization approach is demonstrated to converge beyond the critical time for the vortex sheet. Application of the technique for the study of the vortex sheet shed from an elliptically loaded wing is indicated.

Krasny, R.↗

NASA NTRS1988

Temporal and spatial adaptive algorithm for reacting flows

A numerical integration scheme for quasi-one-dimensional unsteady flows with finite-rate chemistry is developed and demonstrated. The governing Euler and species-conservation equations are derived; the integration method and the spatial and temporal grid embedding techniques are explained; and results for sample problems involving stream-tube flow with one dissociating gas, shock-tube flow with one dissociating gas, and diverging-channel flow with multiple reactions are presented in extensive graphs and briefly characterized. Accuracy comparable to that of globally fine grid solutions is obtained with significant savings in CPU time.

Pervaiz, Mehtab M.↗

NASA NTRS2000

Molded Magnetic Article

A molded magnetic article and fabrication method are provided. Particles of ferromagnetic material embedded in a polymer binder are molded under heat and pressure into a geometric shape. Each particle is an oblate spheroid having a radius-to-thickness aspect ratio approximately in the range of 15-30. Each oblate spheroid has flattened poles that are substantially in perpendicular alignment to a direction of the molding pressure throughout the geometric shape.

Bryant, Robert G.↗

NASA NTRS2001

Fabrication of Molded Magnetic Article

Robert G Bryant↗