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Full-Text Articles in Engineering
Molecular Dynamics Simulations Of The Spontaneous Deformation And Auxetics Behavior During Tensile Test Of A Nematic Liquid Crystal Elastomer Model, Haoran Wang, Nanang Mahardika
Molecular Dynamics Simulations Of The Spontaneous Deformation And Auxetics Behavior During Tensile Test Of A Nematic Liquid Crystal Elastomer Model, Haoran Wang, Nanang Mahardika
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Nematic liquid crystal elastomers (LCEs) are advanced materials known for their shape-changing capability in response to external stimuli such as heat, light and electromagnetic fields. This makes them excellent candidates for applications like soft robotics and energy harvesting. While studies on their physical behavior have shed light on the complex nonlinear mechanics of LCEs, investigations through all-atom molecular dynamics (MD) simulations remain an underutilized avenue compared to experimental and theoretical analyses. This limited use is primarily due to the lack of well-established frameworks for conducting high-fidelity atomistic simulations of LCEs. To bridge this gap, we introduce an all-atom MD simulation …
Non-Equilibrium Behavior Of Large-Scale Axial Vortex Cores, Robert L. Ash, Irfan R. Zardadkhan
Non-Equilibrium Behavior Of Large-Scale Axial Vortex Cores, Robert L. Ash, Irfan R. Zardadkhan
Mechanical & Aerospace Engineering Faculty Publications
A logical basis for incorporating pressure non-equilibrium and turbulent eddy viscosity in an incompressible vortex model is presented. The infrasonic acoustic source implied in our earlier work has been examined. Finally, this non-equilibrium turbulent vortex core is shown to dissipate mechanical energy more slowly than a Burgers vortex, helping us to explain the persistence of axial vortices in nature. Recent molecular dynamics simulations replicate aspects of this non-equilibrium pressure behavior.
Improving Thermal Conduction Across Cathode/Electrolyte Interfaces In Solid-State Lithium-Ion Batteries By Hierarchical Hydrogen-Bond Network, Jinlong He, Lin Zhang, Ling Liu
Improving Thermal Conduction Across Cathode/Electrolyte Interfaces In Solid-State Lithium-Ion Batteries By Hierarchical Hydrogen-Bond Network, Jinlong He, Lin Zhang, Ling Liu
Mechanical and Aerospace Engineering Student Publications and Presentations
Effective thermal management is an important issue to ensure safety and performance of lithium-ion batteries. Fast heat removal is highly desired but has been obstructed by the high thermal resistance across cathode/electrolyte interface. In this study, self-assembled monolayers (SAMs) are used as the vibrational mediator to tune interfacial thermal conductance between an electrode, lithium cobalt oxide (LCO), and a solid state electrolyte, polyethylene oxide (PEO). Embedded at the LCO/PEO interface, SAMs are specially designed to form hierarchical hydrogen-bond (H-bond) network with PEO. Molecular dynamics simulations demonstrate that all SAM-decorated interfaces show enhanced thermal conductance and dominated by H-bonds types. The …
Use Of The Richtmyer-Meshkov Instability To Infer Yield Stress At High-Energy Densities, Guy Dimonte, G. Terrones, F. J. Cherne, T. C. Germann, Virginie Dupont, K. Kadau, W. T. Buttler, D. M. Oro, C. Morris, D. L. Preston
Use Of The Richtmyer-Meshkov Instability To Infer Yield Stress At High-Energy Densities, Guy Dimonte, G. Terrones, F. J. Cherne, T. C. Germann, Virginie Dupont, K. Kadau, W. T. Buttler, D. M. Oro, C. Morris, D. L. Preston
Aerospace Engineering - Daytona Beach
We use the Richtmyer-Meshkov instability (RMI) at a metal-gas interface to infer the metal’s yield stress (Y) under shock loading and release. We first model how Y stabilizes the RMI using hydrodynamics simulations with a perfectly plastic constitutive relation for copper (Cu). The model is then tested with molecular dynamics (MD) of crystalline Cu by comparing the inferred Y from RMI simulations with direct stress-strain calculations, both with MD at the same conditions. Finally, new RMI experiments with solid Cu validate our simulation-based model and infer Y~0.47 GPa for a 36 GPa shock.
Molecular Dynamics Study Of Crystal Plasticity During Nanoindentation In Ni Nanowires, V. Dupont, F. Sansoz
Molecular Dynamics Study Of Crystal Plasticity During Nanoindentation In Ni Nanowires, V. Dupont, F. Sansoz
Aerospace Engineering - Daytona Beach
Molecular dynamics simulations were performed to gain fundamental insight into crystal plasticity, and its size effects in nanowires deformed by spherical indentation. This work focused on-oriented single-crystal, defect-free Ni nanowires of cylindrical shape with diameters of 12 and 30 nm. The indentation of thin films was also comparatively studied to characterize the influence of free surfaces in the emission and absorption of lattice dislocations in single-crystal Ni. All of the simulations were conducted at 300 K by using a virtual spherical indenter of 18 nm in diameter with a displacement rate of1 ms1. No significant effect of sample size was …