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At least 1,027 records · Page 57

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NASA NTRS2016

Molecular Dynamics Modeling of Carbon Nanotube Composite Fracture Using ReaxFF

Carbon nanotube (CNT) fiber reinforced composites with specific tensile strengths and moduli approaching those of aerospace grade carbon fiber composites have recently been reported. This achievement was enabled by the emerging availability of high N/tex yarns in kilometer-scale quantities. While the production of this yarn is an impressive advance, its strength is still much lower than that of the individual CNTs comprising the yarn. Closing this gap requires understanding load transfer between CNTs at the nanometer dimensional scale. This work uses reactive molecular dynamics simulations to gain an understanding at the nanometer scale of the key factors that determine CNT nanocomposite mechanical performance, and to place more realistic upper bounds on the target properties. While molecular dynamics simulations using conventional force fields can predict elastic properties, the ReaxFF reactive forcefield can also model fracture behavior because of its ability to accurately describe bond breaking and formation during a simulation. The upper and lower bounds of CNT composite properties are investigated by comparing systems composed of CNTs continuously connected across the periodic boundary with systems composed of finite length CNTs. These lengths, effectively infinite for the continuous tubes and an aspect ratio of 13 for the finite length case, result from practical limitations on the number of atoms that can be included in a simulation. Experimentally measured aspect ratios are typically on the order of 100,000, so the calculated results should represent upper and lower limits on experimental mechanical properties. Finally, the effect of various degrees of covalent crosslinking between the CNTs and amorphous carbon matrix is considered to identify the amount of CNT-matrix covalent bonding that maximizes overall composite properties.

Jensen, Benjamin D.↗

NASA NTRS1994

Sub-ply level scaling approach investigated for graphite-epoxy composite beam columns

Scale model graphite-epoxy composite specimens were fabricated using the 'sub-ply level' approach and tested as beam-columns under an eccentric axial load to determine the effect of specimen size on flexural response and failure. In the current research project, although the fiber diameters are not scaled, the thickness of the pre-preg material itself has been scaled by adjusting the number of fibers through the thickness of a single ply. Three different grades of graphite-epoxy composite material (AS4/3502) were obtained from Hercules, Inc., in which the number of fibers through the thickness of a single ply was reduced (Grade 190 with 12 to 16 fibers, Grade 95 with 6 to 8 fibers, and Grade 48 with 3 to 4 fibers). Thus, using the sub-ply level approach, a baseline eight ply quasi-isotropic laminate could be fabricated using either the Grade 48 or Grade 95 material and the corresponding full-scale laminate would be constructed from Grade 95 or standard Grade 190 material, respectively. Note that in the sub-ply level approach, the number of ply interfaces is constant for the baseline and full-scale laminates. This is not true for the ply level and sublaminate level scaled specimens. The three grades of graphite-epoxy composite material were used to fabricate scale model beam-column specimens with in-plane dimensions of 0.5*n x 5.75*n, where n=1,2,4 corresponsing to 1/4, 1/2, and full-scale factors. Angle ply, cross ply, and quasi-isotropic laminate stacking sequences were chosen for the investigation and the test matrices for each laminate type are given. Specimens in each laminate family with the same in-plane dimensions but different thicknesses were tested to isolate the influence of the thickness dimension on the flexural response and failure. Also, specific lay-ups were chosen with blocked plies and dispersed plies for each laminate type. Specimens were subjected to an eccentric axial load until failure. The load offset was introduced through a set of hinges which were attached to the platens of a standard load test machine. Three sets of geometrically scaled hinges were used to ensure that scaled loading conditions were applied. This loading condition was chosen because it promotes large flexural deformations and specimens fail at the center of the beam, away from the grip supports. Five channels of data including applied vertical load, end shortening displacement, strain from gages applied back-to-back at the midspan of the beam, and rotation of the hinge from a bubble inclinometer were recorded for each specimen. The beam-column test configuration was used previously to study size effects in ply level scaled composite specimens of the same material system, sizes, and stacking sequences. Thus, a direct comparison between the two scaling approaches is possible. Ply level scaled beam-columns with angle ply, cross ply, and quasi-isotropic lay-ups exhibited no size dependencies in the flexural response, but significant size effects in strength. The reduction in strength with increasing specimen size was not predicted successfully by analysis techniques. It is anticipated that results from this investigation will lead to a better understanding of the strength scale effect in composite structures.

Jackson, Karen E.↗

NASA NTRS1992

A domain-specific design architecture for composite material design and aircraft part redesign

Advanced composites have been targeted as a 'leapfrog' technology that would provide a unique global competitive position for U.S. industry. Composites are unique in the requirements for an integrated approach to designing, manufacturing, and marketing of products developed utilizing the new materials of construction. Numerous studies extending across the entire economic spectrum of the United States from aerospace to military to durable goods have identified composites as a 'key' technology. In general there have been two approaches to composite construction: build models of a given composite materials, then determine characteristics of the material via numerical simulation and empirical testing; and experience-directed construction of fabrication plans for building composites with given properties. The first route sets a goal to capture basic understanding of a device (the composite) by use of a rigorous mathematical model; the second attempts to capture the expertise about the process of fabricating a composite (to date) at a surface level typically expressed in a rule based system. From an AI perspective, these two research lines are attacking distinctly different problems, and both tracks have current limitations. The mathematical modeling approach has yielded a wealth of data but a large number of simplifying assumptions are needed to make numerical simulation tractable. Likewise, although surface level expertise about how to build a particular composite may yield important results, recent trends in the KBS area are towards augmenting surface level problem solving with deeper level knowledge. Many of the relative advantages of composites, e.g., the strength:weight ratio, is most prominent when the entire component is designed as a unitary piece. The bottleneck in undertaking such unitary design lies in the difficulty of the re-design task. Designing the fabrication protocols for a complex-shaped, thick section composite are currently very difficult. It is in fact this difficulty that our research will address.

Punch, W. F., III↗

DOE OSTI2022

Composite excitonic states in doped semiconductors

We present a theoretical model of composite excitonic states in doped semiconductors. Many-body interactions between a photoexcited electron-hole pair and the electron gas are integrated into a computationally tractable few-body problem, solved by the variational method. We focus on electron-doped monolayer (ML)-MoSe 2 and ML-WSe 2 due to the contrasting character of their conduction bands. In both cases, the core of the composite is a tightly bound trion (two electrons and a valence-band hole) surrounded by a region depleted of electrons. The composite in ML-WSe 2 further includes a satellite electron with different quantum numbers. The theory is general and can be applied to semiconductors with various energy-band properties, allowing one to calculate their excitonic states and to quantify the interaction with the Fermi sea.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Load Modeling Transmission Research. Final Project Report

The research presented in this report primarily focuses on improving power system load models to better represent their impact on system behavior. The previous standard load model fails to capture the delayed voltage recovery events that are observed in the Southwest and elsewhere. These events are attributed to stalled air conditioner units after a fault. To gain a better understanding of their role in these events and to guide modeling efforts, typical air conditioner units were testing in laboratories. Using data obtained from these extensive tests, new load models were developed to match air conditioner behavior. An air conditioner model is incorporated in the new WECC composite load model. These models are used in dynamic studies of the West and can impact power transfer limits for California. Unit-level and system-level solutions are proposed as potential solutions to the delayed voltage recovery problem.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1991

Analysis of aircraft engine blade subject to ice impact

The ice impact on the engine blade made of layered composite is simulated. The ice piece is modeled as an equivalent spherical object and has the velocity opposite to that of the aircraft with direction parallel to the engine axis. Near the impact region and along the leading edge, the blade is assumed to be fully stressed and undergoes large deflection. A specified portion of the blade around the impact region is modeled. The effect of ice size and velocity on the average leading edge strain are investigated for a modified SR-2 model unswept composite propfan blade. Parametric studies are performed to study the response due to ice impact at various locations along the span. Also, the effects of engine speed on the strain and impact displacements are discussed. It is found that for a given engine speed, a critical ice speed exists that corresponds to the maximum strain and this critical speed increases with increase in the engine speed.

Reddy, E. S.↗

NASA NTRS1993

Axisymmetric micromechanics of elastic-perfectly plastic fibrous composites under uniaxial tension loading

The uniaxial response of a continuous fiber elastic-perfectly plastic composite is modeled herein as a two-element composite cylinder. An axisymmetric analytical micromechanics solution is obtained for the rate-independent elastic-plastic response of the two-element composite cylinder subjected to tensile loading in the fiber direction for the case wherein the core fiber is assumed to be a transversely isotropic elastic-plastic material obeying the Tsai-Hill yield criterion, with yielding simulating fiber failure. The matrix is assumed to be an isotropic elastic-plastic material obeying the Tresca yield criterion. It is found that there are three different circumstances that depend on the fiber and matrix properties: fiber yield, followed by matrix yielding; complete matrix yield, followed by fiber yielding; and partial matrix yield, followed by fiber yielding, followed by complete matrix yield. The order in which these phenomena occur is shown to have a pronounced effect on the predicted uniaxial effective composite response.

Lee, Jong-Won↗

NASA NTRS1994

Composition of energetic particles from solar flares

We present a model for composition of heavy ions in the Solar Energetic Particles (SEP). The SEP composition in a typical large solar particle event reflects the composition of the Sun, with adjustments due to fractionation effects which depend on the First Ionization Potential (FIP) of the ion and on the ratio of ionic charge to mass (Q/M). Flare-to flare variations in composition are represented by parameters describing these fractionation effects and the distributions of these parameters are presented.

Garrard, T. L.↗

NASA NTRS1992

Analysis of aircraft engine blade subject to ice impact

The ice impact problem on an engine blade made of layered composite is simulated. The ice piece is modeled as an equivalent spherical object and has the velocity opposite to that of the aircraft with direction parallel to the engine axis. Near the impact region and along the leading edge, the blade is assumed to be fully stressed and undergoes large deflection. A specified portion of the blade around the impact region is modeled. The effect of ice size and velocity on the average leading edge strain are investigated for a modified SR-2 model unswept composite propfan blade. Parametric studies are performed to study the response due to ice impact at various locations along the span. Also, the effects of engine speed on the strain and impact displacements are discussed. It is found that for a given engine speed, a critical ice speed exists that corresponds to the maximum strain and this critical speed increases with increase in the engine speed.

Reddy, E. S.↗

NASA NTRS2005

Damage Prediction Models for Advanced Materials and Composites

In the present study, the assessment and evaluation of various acoustic tile designs were conducted using three-dimensional finite element analysis, which included static analysis, thermal analysis and modal analysis of integral and non-integral tile design options. Various benchmark specimens for acoustic tile designs, including CMC integral T-joint and notched CMC plate, were tested in both room and elevated temperature environment. Various candidate ceramic matrix composite materials were used in the numerical modeling and experimental study. The research effort in this program evolved from numerical modeling and concept design to a combined numerical analysis and experimental study. Many subjects associated with the design and performance of the acoustic tile in jet engine exhaust nozzle have been investigated.

Xie, Ming↗

NASA NTRS2001

Constitutive Modeling of Nanotube-Reinforced Polymer Composite Systems

In this study, a technique has been proposed for developing constitutive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Since 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 of the SWNT/polymer composites can no longer be determined through traditional micromechanical approaches that are formulated 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 retains the local molecular structure and bonding information and serves as a means for incorporating micromechanical analyses for the prediction of bulk mechanical properties of SWNT/polymer composites with various nanotube sizes and orientations. As an example, the proposed approach is used for the constitutive modeling of two SWNT/polyethylene composite systems, one with continuous and aligned SWNT and the other with discontinuous and randomly aligned nanotubes.

Odegard, Gregory M.↗

NASA NTRS2004

Constitutive Modeling of Nanotube-Reinforced Polymer Composite Systems

Odegard, Gregory M.↗

DOE OSTI2018

A Composition-Based Approach for Predicting Hanford Tank Waste Liquid Viscosity

Liquid viscosity is an important Hanford waste physical property that governs, in part, the performance of key Hanford flowsheet unit operations and processes, including waste filtration, ion exchange, pumping and transport, and mixing. Evaluation and optimization of these processes rely on liquid viscosity correlations subject to substantial error (at least ±60%) that can lead to overly conservative, and sometimes physically unachievable, limits for validation and operation of these unit operations. The current liquid viscosity correlations used for the Hanford flowsheet attempt to capture the effects of specific waste chemistry (namely, the speciation of various salts) on liquid viscosity using liquid density alone. It is postulated that the ±60% or greater error associated with these “density-based” liquid viscosity predictions is driven in part by the inability of waste density to capture the full impact of waste chemistry on liquid viscosity, and that improved prediction accuracy could be achieved by implementing a composition-based approach to evaluating liquid viscosity for Hanford wastes. Recent publications, namely those of Lencka et al. (1998), Hu (2004), and Laliberté (2007a), provide correlations and comprehensive, consolidated databases of single-salt solution viscosity that enable composition-based predictions for Hanford-type liquids (i.e., concentrated multi-component aqueous electrolyte solutions). In the current study, the viscosities of Hanford wastes and waste simulants were predicted using a composition-based model developed by Laliberté (2007a) (hereafter referred to as the “Laliberté viscosity model”) to evaluate its accuracy relative to the current density-based models used to predict waste viscosity for engineering applications at the Hanford Site. A viscosity database that captured the composition and viscosity of wastes and waste simulants was developed to support this evaluation. To facilitate application of the Laliberté viscosity model, waste and waste simulant compositions were converted to an equivalent salt recipe composed of salts with known viscosity coefficients using a number of simplifying assumptions that have the potential to impact the fidelity of the model prediction. Despite these simplifications, the Laliberté viscosity model was able to predict viscosity more accurately than the density-based correlations currently available for Hanford flowsheet use, such as that proposed in RPP-RPT- 51652. The use of composition-based viscosity models, like that proposed by Laliberté (2007a), shows promise for leading to improved prediction of liquid waste viscosity. As implemented in this study, application of the Laliberté viscosity model could lead to a decrease in the uncertainty associated with liquid viscosity prediction by as much as a factor of two, allowing for reduction in unit operation design conservatism and for the more realistic selection of test simulants for flowsheet process evaluation and optimization, all of which could potentially reduce flowsheet design margins, lower costs and reduce duration of the Hanford mission, and reduce Hanford flowsheet risks.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2020

Investigating Local Buckling and Plastic Collapse in Multifunctional Sandwich Composite Cores using a Unit Cell Method

The primary goal of developing analytical models of composite sandwich cores has been to obtain simple expressions for elastic and failure response to improve the rapid analysis of composite structures. An earlier investigation by the authors was made to verify the accuracy of widely-used analytical models that calculate equivalent elastic moduli of a uniform homogeneous single layer of material in place of the complex honeycomb core properties in sandwich composites. This transformation of elastic properties permits a coarsening of the finite element model (FEM) of the core to a fraction of the computational cost in simulating the original complex core architecture. In addition, the core was assumed constructed of multi-layered isotropic walls to support potential additional functionality beyond simple load-carrying capability.

Erik Saether↗

DOE OSTI2023

Trace Element Sampling and Partitioning Modeling to Estimate Wastewater Composition and Treatment Performance at Coal Generators

The coal combusted at coal-fired power plants (CFPPs) contains several trace elements that impact human heath if released to the environment. Effective combinations of air pollution control devices (APCDs) and water pollution control devices (WPCDs) are critical to reducing these impacts. This work sampled pulverized CFPPs owned and operated by Louisville Gas & Electricity – Kentucky Utilities (LGE-KU) during baseload and cycling conditions. Next, an open-source and easy-to-implement trace element partitioning model was developed using publicly available datasets, literature studies of trace element partitioning, and sampling data to estimate trace element partitioning in APCDs to the gas, liquid, and solid phases exiting CFPPs. These estimates of the liquid phase trace element concentration in FGD wastewater were then used to estimate trace element behavior in WPCDs and evaluate treated wastewater effluent concentrations for compliance with the Effluent Limitation Guidelines (ELG) for the Steam Electric Generating Sector. Finally, cost estimates were developed for established and emerging wastewater treatment trains to identify the most cost-effective approaches for ELG compliance.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS1997

The Planet Mercury Surface Spectroscopy and Analysis from the Kuiper Airborne Observatory and Analysis and Modeling to Determine Surface Composition

We had two successful flights to observe Mercury from the Kuiper Airborne Observatory (KAO) using High-efficiency Infrared Faint-Object Grating Spectrograph (HIFOGS). Flights were May 8, 1995 (eastern elongation) and July 6, 1995 (western elongation) For the observations one half of the primary mirror was covered to prevent sunlight from entering the telescope. All equipment and the airplane and its crew performed well. These flights were historical firsts for the KAO and for spectroscopy of Mercury in that it was the first time any spectroscopic observations of Mercury from above the Earth's atmosphere had been made. It was the first time the KAO had been used to @bserve an object less than 30 degrees from the Sun. Upon completion of the basic data reduction it became obvious that extensive modeling and analysis would be required to understand the data. It took three years of a graduate student's time and part time the PI to do the thermal modeling and the spectroscopic analysis. This resulted in a lengthy publication. A copy of this publication is attached and has all the data obtained in both KAO flights and the results clearly presented. Notable results are: (1) The observations found an as yet unexplained 5 micron emission enhancement that we think may be a real characteristic of Mercury's surface but could have an instrumental cause; (2) Ground-based measurements or an emission maximum at 7.7 microns were corroborated. The chemical composition of Mercury's surface must be feldspathic in order to explain spectra features found in the data obtained during the KAO flights.

Sprague, Ann↗

DOE OSTI2023

A Level Set Model for Structured Mesh Representation of Fibrous Preforms used in Composites Manufacturing

Here, a model for implicit representation of fibrous and woven preforms used for composites manufacturing is described. The method is based on a level set function defined on a structured mesh to implicitly capture the complex fiber and weave geometries. Since most software packages used to model woven preforms are based on unstructured mesh, a numerical model for transforming a discretized surface to a structured mesh representation and vice-a-versa is presented. Specific emphasis is on scalable computation of a level set function for large and complex 3D woven structures from a triangulated surface of the smallest unit (yarn). The model is applied to capture a periodic 3D layered 5-harness satin (5HS) weave geometry on a structured mesh. Geometric transformations needed to efficiently compute the level set function for the 3D structure on a high resolution mesh are described. Effects of mesh resolution on the geometric features such as number of resolved fibers, effective fiber size, and the surface area to volume ratio of the iso-surface are analyzed. Using the distance property of the level set function, an approach to evaluate the structure function resulting from transient evolving topology representing densification due to matrix phase depositions is also presented. The approach captures transition of the geometric characteristic from fiber governed at early stages of densification to yarn governed at the terminal stage.

36 MATERIALS SCIENCE↗

NASA NTRS2018

Quantification of Error Associated with Using Misaligned Meshes in Continuum Damage Mechanics Material Models for Matrix Crack Growth Predictions in Composites

The ability of a material model to capture in-plane matrix mode I and mode II crack growth is an essential component for modeling ply level damage evolution in composite structures. Previous studies using a continuum damage mechanics (CDM) approach have shown success in satisfying benchmark solutions for mode I and II crack growth. However, success was shown using a fiber-aligned meshing strategy, which encourages matrix cracks to propagate in a single band of elements, along the fiber direction. Generating a fiber-aligned mesh becomes a highly involved process for laminates including off-axis (non 0° or 90°) plies. The objective of this study is to quantify the effect of non-fiber aligned mesh discretization on predictions of in-plane matrix crack propagation. The approach taken incrementally varies the mesh orientation angle relative to the fiber orientation; more specifically, misaligned meshes are used to quantify the effect of element angle orientation relative to the initial crack orientation on the energy released during matrix crack propagation simulations using a CDM method. CDM solutions obtained with the misaligned meshes are evaluated against known benchmarks for mode I and II matrix crack growth. The CDM solutions reveal a near-polynomial trend of increased predicted failure stress with increased mesh misalignment angle; hence implying a potential relationship between element orientation angle and apparent fracture toughness.

Justusson, Brian↗