4 papers
AMDAT: An Open-Source Molecular Dynamics Analysis Toolkit for Supercooled Liquids, Glass-Forming Materials, and Complex Fluids
Pierre Kawak, William F. Drayer, David S. Simmons +1
AMDAT (Amorphous Molecular Dynamics Analysis Toolkit) is an open-source C++ toolkit for post-processing molecular dynamics trajectories, focused on high-performance static and dyna…
Glassy interphases reinforce elastomeric nanocomposites by enhancing percolation-driven volume expansion under strain
Pierre Kawak, Harshad Bhapkar, David S. Simmons
For nearly a century, introduction of nanoparticles to elastomers has yielded extraordinarily tough nanocomposites that are critical to technologies from actuators to tires. The me…
On the origin of heating-induced softening and enthalpic reinforcement in elastomeric nanocomposites
Pierre Kawak, Harshad Bhapkar, David S. Simmons
Despite a century of use, the mechanism of nanoparticle-driven mechanical reinforcement of elastomers is unresolved. A major hypothesis attributes it to glassy interparticle bridge…
Central role of filler-polymer interplay in nonlinear reinforcement of elastomeric nanocomposites
Pierre Kawak, Harshad Bhapkar, David S. Simmons
Nanoparticles can greatly enhance the mechanical response of elastomeric polymers essential to a wide range of applications, yet their precise molecular mechanisms of high-strain r…