Interfacial modeling of flattened CNT composites with cyanate ester and PEEK polymers

Interfacial characteristics between flattened CNT stacks and polyimides: A molecular dynamics study

(2020) Sagar Umesh Patil et al.   COMPUTATIONAL MATERIALS SCIENCE

Multiscale modeling of PEEK using reactive molecular dynamics modeling and micromechanics

(2019) William A. Pisani et al.   POLYMER

Densely-packed bundles of collapsed carbon nanotubes: Atomistic and mesoscopic distinct element method modeling

(2019) Grigorii Drozdov et al.   CARBON

Multiscale modeling of carbon fiber- graphene nanoplatelet-epoxy hybrid composites using a reactive force field

(2019) Hashim Al Mahmud et al.   COMPOSITES PART B-ENGINEERING

Smooth sliding and superlubricity in the nanofriction of collapsed carbon nanotubes

(2018) Hao Xu et al.   CARBON

Microstructure evolution and self-assembling of CNT networks during mechanical stretching and mechanical properties of highly aligned CNT composites

(2018) Claire Jolowsky et al.   COMPOSITES SCIENCE AND TECHNOLOGY

Multiscale modeling of carbon fiber/carbon nanotube/epoxy hybrid composites: Comparison of epoxy matrices

(2018) M.S. Radue et al.   COMPOSITES SCIENCE AND TECHNOLOGY

Molecular Modeling of Cross-Linked Polymers with Complex Cure Pathways: A Case Study of Bismaleimide Resins

(2018) Matthew S. Radue et al.   MACROMOLECULES

Collapsed carbon nanotubes: From nano to mesoscale via density functional theory-based tight-binding objective molecular modeling

(2018) Hao Xu et al.   CARBON

Comparing the mechanical response of di-, tri-, and tetra-functional resin epoxies with reactive molecular dynamics

(2017) Matthew S. Radue et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Modeling chemical reactions in classical molecular dynamics simulations

(2017) Jacob R. Gissinger et al.   POLYMER

Assessment of carbon nanotube yarns as reinforcement for composite overwrapped pressure vessels

(2016) Jae-Woo Kim et al.   COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING

Mechanical properties of graphene nanoplatelet/carbon fiber/epoxy hybrid composites: Multiscale modeling and experiments

(2015) C.M. Hadden et al.   CARBON

Geometrically constrained self-assembly and crystal packing of flattened and aligned carbon nanotubes

(2015) Rebekah D. Downes et al.   CARBON

Structural nanocomposites for aerospace applications

(2015) Emilie J. Siochi et al.   MRS BULLETIN

Heteroaromatic π-Stacking Energy Landscapes

(2014) Roland G. Huber et al.   Journal of Chemical Information and Modeling

Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field

(2013) Hendrik Heinz et al.   LANGMUIR

Interaction between graphene layers and the mechanisms of graphite's superlubricity and self-retraction

(2013) Ziwei Xu et al.   Nanoscale

Role of surface chemical groups on carbon nanotubes in nucleation for polymer crystallization: Interfacial interaction and steric effect

(2013) Yuan-Ying Liang et al.   POLYMER

Effect of Chemisorption on the Interfacial Bonding Characteristics of Graphene−Polymer Composites

(2010) Cheng Lv et al.   Journal of Physical Chemistry C

Strong N−H···π Hydrogen Bonding in Amide−Benzene Interactions

(2009) Philipp Ottiger et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING