Gregory M. Odegard
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View article: Nanoscale Structure–Property Relationships of Cyanate Ester as a Function of Extent of Cure
Nanoscale Structure–Property Relationships of Cyanate Ester as a Function of Extent of Cure Open
Cyanate esters are key thermosetting resins for composite materials that require structural integrity and resistance to elevated temperatures. Because cyanate ester composites require relatively high processing temperatures, they are susce…
View article: Optimizing Epoxy Nanocomposites with Oxidized Graphene Quantum Dots for Superior Mechanical Performance: A Molecular Dynamics Approach
Optimizing Epoxy Nanocomposites with Oxidized Graphene Quantum Dots for Superior Mechanical Performance: A Molecular Dynamics Approach Open
Due to their excellent mechanical properties, epoxy composites are widely used in low-density applications. However, the brittle epoxy matrix often serves as the principal failure point. Matrix enhancements can be achieved by optimizing po…
View article: Understanding and Interpreting Stress-Strain Curves from Molecular Dynamics Simulation of Amorphous Polymers
Understanding and Interpreting Stress-Strain Curves from Molecular Dynamics Simulation of Amorphous Polymers Open
The phenomenon associated with load/deflection behavior of structures has been investigated for centuries, with many theories and methods developed for analyzing such behavior. In the nineteenth century the behavior of polymers started to …
View article: Revealing nanoscale mechanisms of pyrolysis at phenolic resin/carbon fiber interface
Revealing nanoscale mechanisms of pyrolysis at phenolic resin/carbon fiber interface Open
Carbon–carbon composites are a material commonly used in high heat flux heat environments, such as space missions for terrestrial re-entry. Phenolic resins have been used as carbon matrix precursors due to high char yields of 50 – 55%. In …
View article: High-performance, multi-component epoxy resin simulation for predicting thermo-mechanical property evolution during curing
High-performance, multi-component epoxy resin simulation for predicting thermo-mechanical property evolution during curing Open
High-performance epoxy systems are extensively used in structural polymer‒matrix composites for aerospace vehicles. The evolution of the thermomechanical properties of these epoxies significantly impacts the evolution of process-induced re…
View article: Investigating the structure–property correlations of pyrolyzed phenolic resin as a function of degree of carbonization
Investigating the structure–property correlations of pyrolyzed phenolic resin as a function of degree of carbonization Open
Carbon–carbon (C/C) composites are attractive materials for high-speed flights and terrestrial atmospheric reentry applications due to their insulating thermal properties, thermal resistance, and high strength-to-weight ratio.
View article: Implementing reactivity in molecular dynamics simulations with harmonic force fields
Implementing reactivity in molecular dynamics simulations with harmonic force fields Open
The simulation of chemical reactions and mechanical properties including failure from atoms to the micrometer scale remains a longstanding challenge in chemistry and materials science. Bottlenecks include computational feasibility, reliabi…
View article: Evolution of Physical, Thermal, and Mechanical Properties of Poly(methyl Methacrylate)-Based Elium Thermoplastic Polymer During Polymerization
Evolution of Physical, Thermal, and Mechanical Properties of Poly(methyl Methacrylate)-Based Elium Thermoplastic Polymer During Polymerization Open
Elium-based thermoplastic composites are a key material for future use in the marine, wind energy, and automotive industries because of their recyclability and ease of manufacture. To optimize the processing of the Elium composites to yiel…
View article: The effect of gamma-ray irradiation on polymer-graphene nanocomposite interfaces
The effect of gamma-ray irradiation on polymer-graphene nanocomposite interfaces Open
CNT yarns are used in ultra-high strength composites for use in manned deep-space vehicles. It has been previously demonstrated through experiments that gamma-ray irradiation substantially improves the mechanical performance of these compo…
View article: LUNAR: Automated Input Generation and Analysis for Reactive LAMMPS Simulations
LUNAR: Automated Input Generation and Analysis for Reactive LAMMPS Simulations Open
Generating simulation-ready molecular models for the LAMMPS molecular dynamics (MD) simulation software package is a difficult task and impedes the more widespread and efficient use of MD in materials design and development. Fixed-bond for…
View article: LUNAR: Automated Input Generation and Analysis for Reactive LAMMPS Simulations
LUNAR: Automated Input Generation and Analysis for Reactive LAMMPS Simulations Open
Generating molecular models for the LAMMPS molecular dynamics (MD) simulation software package is a difficult task and is an impediment to more widespread and efficient use of MD in materials design and development. Fixed-bond force fields…
View article: Optimal Molecular Dynamics System Size for Increased Precision and Efficiency for Epoxy Materials
Optimal Molecular Dynamics System Size for Increased Precision and Efficiency for Epoxy Materials Open
Molecular dynamics (MD) simulation is an important tool for predicting thermo-mechanical properties of polymer resins at the nanometer length scale, which is particularly important for efficient computationally driven design of advanced co…
View article: Band structure reconfiguration and surface Faraday rotation in Bi-substituted iron garnets
Band structure reconfiguration and surface Faraday rotation in Bi-substituted iron garnets Open
Bismuth-substituted lutetium iron garnets have exhibited a remarkable enhancement in Faraday rotation (FR) for films thinner than 50 nm. A sevenfold amplification in the magneto-optic gyrotropy was found to occur within 2 nm of the air-sur…
View article: Tradeoff in interfacial shear strength and elastic properties in functionalized graphene oxide nanocomposites
Tradeoff in interfacial shear strength and elastic properties in functionalized graphene oxide nanocomposites Open
Graphene oxide (GO) nanoplatelets can be used to reinforce neat resin or the matrix phase of fiber composites for improved mechanical properties. Although the oxygen content levels in GO and reduced graphene oxide (rGO) strongly influence …
View article: A Micromechanical Study of Interactions of Cyanate Ester Monomer with Graphene or Boron Nitride Monolayer
A Micromechanical Study of Interactions of Cyanate Ester Monomer with Graphene or Boron Nitride Monolayer Open
Polymer composites, hailed for their ultra-strength and lightweight attributes, stand out as promising materials for the upcoming era of space vehicles. The selection of the polymer matrix plays a pivotal role in material design, given its…
View article: Multiscale Process Modeling of Semicrystalline PEEK for Tailored Thermomechanical Properties
Multiscale Process Modeling of Semicrystalline PEEK for Tailored Thermomechanical Properties Open
Polyether ether ketone (PEEK) is a semicrystalline thermoplastic that is used in high-performance composites for a wide range of applications. Because the crystalline phase has a higher mass density than that of the amorphous phase, the ev…
View article: Evolution of Glassy Carbon Derived from Pyrolysis of Furan Resin
Evolution of Glassy Carbon Derived from Pyrolysis of Furan Resin Open
Glassy carbon (GC) material derived from pyrolyzed furan resin was modeled by using reactive molecular dynamics (MD) simulations. The MD polymerization simulation protocols to cure the furan resin precursor material are validated via compa…
View article: Establishing Physical and Chemical Mechanisms of Polymerization and Pyrolysis of Phenolic Resins for Carbon-Carbon Composites
Establishing Physical and Chemical Mechanisms of Polymerization and Pyrolysis of Phenolic Resins for Carbon-Carbon Composites Open
The complex structural and chemical changes that occur during polymerization and pyrolysis critically affect material properties but are difficult to characterize in situ. This work presents a novel, experimentally validated methodology fo…
View article: Scalable High Tensile Modulus Composite Laminates Using Continuous Carbon Nanotube Yarns for Aerospace Applications
Scalable High Tensile Modulus Composite Laminates Using Continuous Carbon Nanotube Yarns for Aerospace Applications Open
An approach is established for fabricating high-strength and high-stiffness composite laminates with continuous carbon nanotube (CNT) yarns for scaled-up mechanical tests and potential aerospace structure applications. Continuous CNT yarns…
View article: Evolution of glassy carbon derived from pyrolysis of furan resin
Evolution of glassy carbon derived from pyrolysis of furan resin Open
Glassy carbon (GC) materials demonstrate excellent thermal stability and mechanical response with low mass densities, which makes them excellent candidates for use in ablatives and carbon-carbon composites (C/C composites) used in aerospac…
View article: Establishing Physical and Chemical Mechanisms of Polymerization and Pyrolysis of Phenolic Resins for Carbon-Carbon Composites
Establishing Physical and Chemical Mechanisms of Polymerization and Pyrolysis of Phenolic Resins for Carbon-Carbon Composites Open
The complex structural and chemical changes that occur during polymerization and pyrolysis critically affect material properties but are difficult to characterize in situ. This work presents a novel, experimentally validated methodology fo…
View article: Multiscale Process Modeling of a Carbon Fiber/Epoxy Composite for Predicting Residual Stress and Strength
Multiscale Process Modeling of a Carbon Fiber/Epoxy Composite for Predicting Residual Stress and Strength Open
During the manufacturing of composite structures, cure shrinkage of the thermoset matrix and differential thermal contraction mismatch between the matrix and fiber reinforcement cause the formation of residual stresses, which can result in…
View article: Simple and Convenient Mapping of Molecular Dynamics Mechanical Property Predictions for Strain Rate, Temperature, and Degree of Cure
Simple and Convenient Mapping of Molecular Dynamics Mechanical Property Predictions for Strain Rate, Temperature, and Degree of Cure Open
It is well-known that all-atom molecular dynamics (MD) predictions of mechanical properties of thermoset resins suffer from multiple accuracy issues associated with their viscous nature. The nanosecond simulation times of MD simulations do…
View article: Boron Nitride Nanotubes: Force Field Parameterization, Epoxy Interactions, and Comparison with Carbon Nanotubes for High-Performance Composite Materials
Boron Nitride Nanotubes: Force Field Parameterization, Epoxy Interactions, and Comparison with Carbon Nanotubes for High-Performance Composite Materials Open
Boron nitride nanotubes (BNNTs) are a very promising reinforcement for future high-performance composites because of their excellent thermo-mechanical properties. To take full advantage of BNNTs in composite materials, it is necessary to h…
View article: Correction: Multiscale Modeling of Thermoplastics Using Atomistic-informed Micromechanics
Correction: Multiscale Modeling of Thermoplastics Using Atomistic-informed Micromechanics Open
A multiscale model was developed for predicting the thermoelastic behavior of semi-crystalline thermoplastic materials for composite aerospace applications.At the highest scale containing the semi-crystalline spherulite in an amorphous mat…
View article: Probing the Influence of Surface Chemical Functionalization on Graphene Nanoplatelets-Epoxy Interfacial Shear Strength Using Molecular Dynamics
Probing the Influence of Surface Chemical Functionalization on Graphene Nanoplatelets-Epoxy Interfacial Shear Strength Using Molecular Dynamics Open
In this work, a characterization study of the interfacial interaction between different types of graphene nanoplatelets and an epoxy matrix is computationally performed. To quantify the discrete mutual graphene–epoxy “interfacial interacti…
View article: Simple and convenient mapping of molecular dynamics mechanical property predictions of bisphenol-F epoxy for strain rate, temperature, and degree of cure
Simple and convenient mapping of molecular dynamics mechanical property predictions of bisphenol-F epoxy for strain rate, temperature, and degree of cure Open
Mapping procedure to relate MD predictions to expected laboratory-scale observations considering the corresponding time scale and strain rate discrepancy.
View article: Simple and Convenient Correction of Molecular Dynamics Mechanical Property Predictions for Strain Rate, Temperature, and Degree of Cure
Simple and Convenient Correction of Molecular Dynamics Mechanical Property Predictions for Strain Rate, Temperature, and Degree of Cure Open
It is well-known that all-atom molecular dynamics (MD) predictions of mechanical properties of thermoset resins suffer from multiple accuracy issues associated with their viscous nature. The nanosecond simulation times of MD simulations do…