Engineering topics

Gates, T. S.

Publications and source records attributed to Gates, T. S..

At least 19 records

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 NTRS2007

Local Elastic Constants for Epoxy-Nanotube Composites from Molecular Dynamics Simulation

A method from molecular dynamics simulation is developed for determining local elastic constants of an epoxy/nanotube composite. The local values of C11, C33, K12, and K13 elastic constants are calculated for an epoxy/nanotube composite as a function of radial distance from the nanotube. While the results possess a significant amount of statistical uncertainty resulting from both the numerical analysis and the molecular fluctuations during the simulation, the following observations can be made. If the size of the region around the nanotube is increased from shells of 1 to 6 in thickness, then the scatter in the data reduces enough to observe trends. All the elastic constants determined are at a minimum 20 from the center of the nanotube. The C11, C33, and K12 follow similar trends as a function of radial distance from the nanotube. The K13 decreases greater distances from the nanotube and becomes negative which may be a symptom of the statistical averaging.

Frankland, S. J. V.↗

NASA NTRS2006

MODELING FUNCTIONALLY GRADED INTERPHASE REGIONS IN CARBON NANOTUBE REINFORCED COMPOSITES

A combination of micromechanics methods and molecular dynamics simulations are used to obtain the effective properties of the carbon nanotube reinforced composites with functionally graded interphase regions. The multilayer composite cylinders method accounts for the effects of non-perfect load transfer in carbon nanotube reinforced polymer matrix composites using a piecewise functionally graded interphase. The functional form of the properties in the interphase region, as well as the interphase thickness, is derived from molecular dynamics simulations of carbon nanotubes in a polymer matrix. Results indicate that the functional form of the interphase can have a significant effect on all the effective elastic constants except for the effective axial modulus for which no noticeable effects are evident.

Seidel, G. D.↗

NASA NTRS2005

Multi-Scale Modeling of Cross-Linked Nanotube Materials

The effect of cross-linking single-walled carbon nanotubes on the Young's modulus of a nanotube-reinforced composite is modeled with a multi-scale method. The Young's modulus is predicted as a function of nanotube volume fraction and cross-link density. In this method, the constitutive properties of molecular representative volume elements are determined using molecular dynamics simulation and equivalent-continuum modeling. The Young's modulus is subsequently calculated for cross-linked nanotubes in a matrix which consists of the unreacted cross-linking agent. Two different cross-linking agents are used in this study, one that is short and rigid (Molecule A), and one that is long and flexible (Molecule B). Direct comparisons between the predicted elastic constants are made for the models in which the nanotubes are either covalently bonded or not chemically bonded to the cross-linking agent. At a nanotube volume fraction of 10%, the Young's modulus of Material A is not affected by nanotube crosslinking, while the Young's modulus of Material B is reduced by 64% when the nanotubes are cross-linked relative to the non-cross-linked material with the same matrix.

Frankland, S. J. V.↗

NASA NTRS2005

Buckling of Carbon Nanotube-Reinforced Polymer Laminated Composite Materials Subjected to Axial Compression and Shear Loadings

A multi-scale method to predict the stiffness and stability properties of carbon nanotube-reinforced laminates has been developed. This method is used in the prediction of the buckling behavior of laminated carbon nanotube-polyethylene composites formed by stacking layers of carbon nanotube-reinforced polymer with the nanotube alignment axes of each layer oriented in different directions. Linking of intrinsic, nanoscale-material definitions to finite scale-structural properties is achieved via a hierarchical approach in which the elastic properties of the reinforced layers are predicted by an equivalent continuum modeling technique. Solutions for infinitely long symmetrically laminated nanotube-reinforced laminates with simply-supported or clamped edges subjected to axial compression and shear loadings are presented. The study focuses on the influence of nanotube volume fraction, length, orientation, and functionalization on finite-scale laminate response. Results indicate that for the selected laminate configurations considered in this study, angle-ply laminates composed of aligned, non-functionalized carbon nanotube-reinforced lamina exhibit the greatest buckling resistance with 1% nanotube volume fraction of 450 nm uniformly-distributed carbon nanotubes. In addition, hybrid laminates were considered by varying either the volume fraction or nanotube length through-the-thickness of a quasi-isotropic laminate. The ratio of buckling load-to-nanotube weight percent for the hybrid laminates considered indicate the potential for increasing the buckling efficiency of nanotube-reinforced laminates by optimizing nanotube size and proportion with respect to laminate configuration.

Riddick, J. C.↗

NASA NTRS2005

Multi-Scale Modeling of a Graphite-Epoxy-Nanotube System

A multi-scale method is utilized to determine some of the constitutive properties of a three component graphite-epoxy-nanotube system. This system is of interest because carbon nanotubes have been proposed as stiffening and toughening agents in the interlaminar regions of carbon fiber/epoxy laminates. The multi-scale method uses molecular dynamics simulation and equivalent-continuum modeling to compute three of the elastic constants of the graphite-epoxy-nanotube system: C11, C22, and C33. The 1-direction is along the nanotube axis, and the graphene sheets lie in the 1-2 plane. It was found that the C11 is only 4% larger than the C22. The nanotube therefore does have a small, but positive effect on the constitutive properties in the interlaminar region.

Frankland, S. J. V.↗

NASA NTRS2004

Constitutive Modeling of Crosslinked Nanotube Materials

A non-linear, continuum-based constitutive model is developed for carbon nanotube materials in which bundles of aligned carbon nanotubes have varying amounts of crosslinks between the nanotubes. The model accounts for the non-linear elastic constitutive behavior of the material in terms of strain, and is developed using a thermodynamic energy approach. The model is used to examine the effect of the crosslinking on the overall mechanical properties of variations of the crosslinked carbon nanotube material with varying degrees of crosslinking. It is shown that the presence of the crosslinks has significant effects on the mechanical properties of the carbon nanotube materials. An increase in the transverse shear properties is observed when the nanotubes are crosslinked. However, this increase is accompanied by a decrease in axial mechanical properties of the nanotube material upon crosslinking.

Odegard, G. M.↗

NASA NTRS2004

Modeling and Characterization of a Graphite Nanoplatelet/Epoxy Composite

A micromechanical modeling procedure is developed to predict the viscoelastic properties of a graphite nanoplatelet/epoxy composite as a function of volume fraction and nanoplatelet diameter. The predicted storage and loss moduli from the model are compared to measured values from the same material using Dynamical Mechanical Analysis, nanoindentation, and tensile tests. In most cases, the model and experiments indicate that for increasing volume fractions of nanoplatelets, both the storage and loss moduli increase. Also, in most cases, the model and experiments indicate that as the nanoplatelet diameter is increased, the storage and loss moduli decrease and increase, respectively.

Odegard, Gregory M.↗

NASA NTRS2004

Synthesis, Characterization, and Modeling of Nanotube Materials with Variable Stiffness Tethers

Synthesis, mechanical testing, and modeling have been performed for carbon nanotube based materials. Tests using nanoindentation indicated a six-fold enhancement in the storage modulus when comparing the base material (no nanotubes) to the composite that contained 5.3 wt% of nanotubes. To understand how crosslinking the nanotubes may further alter the stiffness, a model of the system was constructed using nanotubes crosslinked with a variable stiffness tether (VST). The model predicted that for a composite with 5 wt% nanotubes at random orientations, crosslinked with the VST, the bulk Young's modulus was reduced by 30% compared to the noncrosslinked equivalent.

Frankland, S. J. V.↗

NASA NTRS2003

Calculation of Non-Bonded Forces Due to Sliding of Bundled Carbon Nanotubes

An important consideration for load transfer in bundles of single-walled carbon nanotubes is the nonbonded (van der Waals) forces between the nanotubes and their effect on axial sliding of the nanotubes relative to each other. In this research, the non-bonded forces in a bundle of seven hexagonally packed (10,10) single-walled carbon nanotubes are represented as an axial force applied to the central nanotube. A simple model, based on momentum balance, is developed to describe the velocity response of the central nanotube to the applied force. The model is verified by comparing its velocity predictions with molecular dynamics simulations that were performed on the bundle with different force histories applied to the central nanotube. The model was found to quantitatively predict the nanotube velocities obtained from the molecular dynamics simulations. Both the model and the simulations predict a threshold force at which the nanotube releases from the bundle. This force converts to a shear yield strength of 10.5-11.0 MPa for (10,10) nanotubes in a bundle.

Frankland, S. J. V.↗

NASA NTRS2003

Characterization of Viscoelastic Properties of Polymeric Materials Through Nanoindentation

Nanoindentation is used to determine the dynamic viscoelastic properties of six polymer materials. It is shown that varying the harmonic frequency of the nanoindentation does not have any significant effect on the measured storage and loss moduli of the polymers. Agreement is found between these results and data from DMA testing of the same materials. Varying the harmonic amplitude of the nanoindentation does not have a significant effect on the measured properties of the high performance resins, however, the storage modulus of the polyethylene decreases as the harmonic amplitude increases. Measured storage and loss moduli are also shown to depend on the density of the polyethylene.

Odegard, G. M.↗

NASA NTRS2003

The Effect of Chemical Functionalization on Mechanical Properties of Nanotube/Polymer Composites

The effects of the chemical functionalization of a carbon nanotube embedded in a nanotube/polyethylene composite on the bulk elastic properties are presented. Constitutive equations are established for both functionalized and non-functionalized nanotube composites systems by using an equivalent-continuum modeling technique. The elastic properties of both composites systems are predicted for various nanotube lengths, volume fractions, and orientations. The results indicate that for the specific composite material considered in this study, most of the elastic stiffness constants of the functionalized composite are either less than or equal to those of the non-functionalized composite.

Odegard, G. M.↗

NASA NTRS2002

The Stress-strain Behavior of Polymer-Nanotube Composites from Molecular Dynamics Simulations

Stress-strain curves of polymer-carbon nanotube composites are derived from molecular dynamics simulations of a single-walled carbon nanotube embedded in polyethylene. A comparison is made between the response to mechanical loading of a composite with a long, continuous nanotube (replicated via periodic boundary conditions) and the response of a composite with a short, discontinuous nanotube. Both composites are mechanically loaded in the direction of and transverse to the NT axis. The long-nanotube composite shows an increase in the stiffness relative to the polymer and behaves anisotropically under the different loading conditions. The short-nanotube composite shows no enhancement relative to the polymer, most probably because of its low aspect ratio. The stress-strain curves are compared with rule-of-mixtures predictions.

Frankland, S. J. V.↗

NASA NTRS2002

Constitutive Modeling of Nanotube-Reinforced Polymer Composites

In this study, a technique is presented for developing constitutive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Because the polymer molecules are on the same size scale as the nanotubes, the interaction at the polymer/nanotube interface is highly dependent on the local molecular structure and bonding. At these small length scales, the lattice structures of the nanotube and polymer chains cannot be considered continuous, and the bulk mechanical properties can no longer be determined through traditional micromechanical approaches that are formulated by using continuum mechanics. It is proposed herein that the nanotube, the local polymer near the nanotube, and the nanotube/polymer interface can be modeled as an effective continuum fiber using an equivalent-continuum modeling method. The effective fiber serves as a means for incorporating micromechanical analyses for the prediction of bulk mechanical properties of SWNT/polymer composites with various nanotube lengths, concentrations, and orientations. As an example, the proposed approach is used for the constitutive modeling of two SWNT/polyimide composite systems.

Odegard, G. M.↗

NASA NTRS2002

Optimization of Designs for Nanotube-based Scanning Probes

Optimization of designs for nanotube-based scanning probes, which may be used for high-resolution characterization of nanostructured materials, is examined. Continuum models to analyze the nanotube deformations are proposed to help guide selection of the optimum probe. The limitations on the use of these models that must be accounted for before applying to any design problem are presented. These limitations stem from the underlying assumptions and the expected range of nanotube loading, end conditions, and geometry. Once the limitations are accounted for, the key model parameters along with the appropriate classification of nanotube structures may serve as a basis for the design optimization of nanotube-based probe tips.

Harik, V. M.↗

NASA NTRS2002

Applicability of the Continuum-Shell Theories to the Mechanics of Carbon Nanotubes

Validity of the assumptions relating the applicability of continuum shell theories to the global mechanical behavior of carbon nanotubes is examined. The present study focuses on providing a basis that can be used to qualitatively assess the appropriateness of continuum-shell models for nanotubes. To address the effect of nanotube structure on their deformation, all nanotube geometries are divided into four major classes that require distinct models. Criteria for the applicability of continuum models are presented. The key parameters that control the buckling strains and deformation modes of these classes of nanotubes are determined. In an analogy with continuum mechanics, mechanical laws of geometric similitude are presented. A parametric map is constructed for a variety of nanotube geometries as a guide for the applicability of different models. The continuum assumptions made in representing a nanotube as a homogeneous thin shell are analyzed to identify possible limitations of applying shell theories and using their bifurcation-buckling equations at the nano-scale.

Harik, V. M.↗

NASA NTRS2002

Constitutive Modeling of Nanotube-Reinforced Polymer Composites

In this study, a technique is presented for developing constitutive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Because the polymer molecules are on the same size scale as the nanotubes, the interaction at the polymer/nanotube interface is highly dependent on the local molecular structure and bonding. At these small length scales, the lattice structures of the nanotube and polymer chains cannot be considered continuous, and the bulk mechanical properties can no longer be determined through traditional micromechanical approaches that are formulated by using continuum mechanics. It is proposed herein that the nanotube, the local polymer near the nanotube, and the nanotube/polymer interface can be modeled as an effective continuum fiber using an equivalent-continuum modeling method. The effective fiber serves as a means for incorporating micromechanical analyses for the prediction of bulk mechanical properties of SWNT/polymer composites with various nanotube shapes, sizes, concentrations, and orientations. As an example, the proposed approach is used for the constitutive modeling of two SWNT/LaRC-SI (with a PmPV interface) composite systems, one with aligned SWNTs and the other with three-dimensionally randomly oriented SWNTs. The Young's modulus and shear modulus have been calculated for the two systems for various nanotube lengths and volume fractions.

Odegard, G. M.↗

NASA NTRS2001

Durability Characterization of Advanced Polymeric Composites at Cryogenic Temperatures

The next generation of reusable launch vehicles will require technology development in several key areas. Of these key areas, the development of polymeric composite cryogenic fuel tanks promises to present one of the most difficult technical challenges. It is envisioned that a polymer matrix composite (PMC) tank would be a large shell structure capable of containing cryogenic fuels and carrying a range of structural loads. The criteria that will be imposed on such a design include reduced weight, conformal geometry, and impermeability. It is this last criterion, impermeability, that will provide the focus of this paper. The essence of the impermeability criterion is that the tank remains leak free throughout its design lifetime. To address this criterion, one of the first steps is to conduct a complete durability assessment of the PMC materials. At Langley Research Center, a durability assessment of promising new polyimide-based PMCs is underway. This durability program has focused on designing a set of critical laboratory experiments that will determine fundamental material properties under combined thermal-mechanical loading at cryogenic temperatures. The test program provides measurements of lamina and laminate properties, including strength, stiffness, and fracture toughness. The performance of the PMC materials is monitored as a function of exposure conditions and aging time. Residual properties after exposure are measured at cryogenic temperatures and provide quantitative values of residual strength and stiffness. Primary degradation mechanisms and the associated damage modes are measured with both destructive and nondestructive techniques. In addition to mechanical properties, a range of physical properties, such as weight, glass transition, and crack density, are measured and correlated with the test conditions. This paper will report on the progress of this research program and present critical results and illustrative examples of current findings.

Gates, T. S.↗