Simulation of the Elastic and Ultimate Tensile Properties of Diamond, Graphene, Carbon Nanotubes, and Amorphous Carbon Using a Revised ReaxFF Parametrization von Jensen, Benjamin D, Wise, Kristopher E, Odegard, Gregory M

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Molecular modeling of crosslinked epoxy polymers: The effect of crosslink density on thermomechanical properties von Bandyopadhyay, Ananyo, Valavala, Pavan K., Clancy, Thomas C., Wise, Kristopher E., Odegard, Gregory M.

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Multiscale modeling of PEEK using reactive molecular dynamics modeling and micromechanics von Pisani, William A., Radue, Matthew S., Chinkanjanarot, Sorayot, Bednarcyk, Brett A., Pineda, Evan J., Waters, Kevin, Pandey, Ravindra, King, Julia A., Odegard, Gregory M.

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Multiscale modeling of carbon fiber- graphene nanoplatelet-epoxy hybrid composites using a reactive force field von Al Mahmud, Hashim, Radue, Matthew S., Chinkanjanarot, Sorayot, Pisani, William A., Gowtham, S., Odegard, Gregory M.

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Direct Evidence of Lithium-Induced Atomic Ordering in Amorphous TiO2 Nanotubes von Gao, Qi, Gu, Meng, Nie, Anmin, Mashayek, Farzad, Wang, Chongmin, Odegard, Gregory M, Shahbazian-Yassar, Reza

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Finite size effect on the piezoelectric properties of ZnO nanobelts: A molecular dynamics approach von Momeni, K., Odegard, Gregory M., Yassar, Reza S.

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Implementing reactivity in molecular dynamics simulations with harmonic force fields von Winetrout, Jordan J., Kanhaiya, Krishan, Kemppainen, Joshua, in ‘t Veld, Pieter J., Sachdeva, Geeta, Pandey, Ravindra, Damirchi, Behzad, van Duin, Adri, Odegard, Gregory M., Heinz, Hendrik

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Multiscale thermal modeling of cured cycloaliphatic epoxy/carbon fiber composites von Chinkanjanarot, Sorayot, Radue, Matthew S., Gowtham, S., Tomasi, Julie M., Klimek‐McDonald, Danielle R., King, Julia A., Odegard, Gregory M.

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Scalable High Tensile Modulus Composite Laminates Using Continuous Carbon Nanotube Yarns for Aerospace Applications von Evers, Cecil E., Vondrasek, Britannia, Jolowsky, Claire N., Park, Jin Gyu, Czabaj, Michael W., Ku, Bailee E., Thagard, Kaylee R., Odegard, Gregory M., Liang, Zhiyong

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Probing the Influence of Surface Chemical Functionalization on Graphene Nanoplatelets-Epoxy Interfacial Shear Strength Using Molecular Dynamics von Al Mahmud, Hashim, Patil, Sagar U, Radue, Matthew S, Odegard, Gregory M

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Mechanical Properties and Characterization of Epoxy Composites Containing Highly Entangled As-Received and Acid Treated Carbon Nanotubes von Krieg, Aaron S., King, Julia A., Odegard, Gregory M., Leftwich, Timothy R., Odegard, Leif K., Fraley, Paul D., Miskioglu, Ibrahim, Jolowsky, Claire, Lundblad, Matthew, Park, Jin Gyu, Liang, Richard

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A machine learning framework for predicting the shear strength of carbon nanotube-polymer interfaces based on molecular dynamics simulation data von Rahman, Aowabin, Deshpande, Prathamesh, Radue, Matthew S., Odegard, Gregory M., Gowtham, S., Ghosh, Susanta, Spear, Ashley D.

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Computational Modeling of Hybrid Carbon Fiber/Epoxy Composites Reinforced with Functionalized and Non-Functionalized Graphene Nanoplatelets von Al Mahmud, Hashim, Radue, Matthew S., Pisani, William A., Odegard, Gregory M.

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Optimal Molecular Dynamics System Size for Increased Precision and Efficiency for Epoxy Materials von Kashmari, Khatereh, Patil, Sagar U., Kemppainen, Josh, Shankara, Gowtham, Odegard, Gregory M.

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Molecular Modeling of Cross-Linked Polymers with Complex Cure Pathways: A Case Study of Bismaleimide Resins von Radue, Matthew S, Varshney, Vikas, Baur, Jeffery W, Roy, Ajit K, Odegard, Gregory M

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ReaxFF Reactive Force Field Study of Polymerization of a Polymer Matrix in a Carbon Nanotube-Composite System von Damirchi, Behzad, Radue, Matthew, Kanhaiya, Krishan, Heinz, Hendrik, Odegard, Gregory M, van Duin, Adri C. T

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Thermal conductivity of graphene nanoplatelet/cycloaliphatic epoxy composites: Multiscale modeling von Chinkanjanarot, Sorayot, Tomasi, Julie M., King, Julia A., Odegard, Gregory M.

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The effect of time step, thermostat, and strain rate on ReaxFF simulations of mechanical failure in diamond, graphene, and carbon nanotube von Jensen, Benjamin D., Wise, Kristopher E., Odegard, Gregory M.

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Predicting mechanical response of crosslinked epoxy using ReaxFF von Odegard, Gregory M., Jensen, Benjamin D., Gowtham, S., Wu, Jianyang, He, Jianying, Zhang, Zhiliang

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Asynchronous Crystal Cell Expansion during Lithiation of K+‑Stabilized α‑MnO2 von Yuan, Yifei, Nie, Anmin, Odegard, Gregory M, Xu, Rui, Zhou, Dehua, Santhanagopalan, Sunand, He, Kun, Asayesh-Ardakani, Hasti, Meng, Dennis Desheng, Klie, Robert F, Johnson, Christopher, Lu, Jun, Shahbazian-Yassar, Reza

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