preprint

Dear colleagues,

We invite you to see the preprint of our new paper "Statistical mechanics of a dielectric polymer chain in the force ensemble" that will appear in Journal of the Mechanics and Physics of Solids. Here we compute the electroelasticity of single polymer chains using both analytical approximations and novel MCMC techniques. Working in the fixed force ensemble facilitates the derivation of the analytical approximations, which are shown to agree well with the MCMC results. This work complements prior work on the statistical mechanics of dielectric polymers chains obtained in a different ensemble. (https://doi.org/10.1016/j.jmps.2021.104658).

Dear colleagues,
We invite you to see the preprint of our new paper "Flexoelectricity in soft elastomers and the molecular mechanisms underpinning the design and emergence of giant flexoelectricity" that will appear in PNAS. Here we present a molecular-to-continuum scale theory for the flexoelectric effect in elastomers. The theory unveils a mechanism for achieving giant flexoelectricity--which finds support in prior experimental results; it is then leveraged for designing elastomers for 1) piezoelectricity, 2) tuning the direction of flexoelectricity, and 3) flexoelectricity which is invariant with respect to spurious deformations (https://doi.org/10.1073/pnas.2102477118).

Dear colleagues,

We invite you to see the preprint of our new paper "Nonlinear statistical mechanics drives intrinsic electrostriction and volumetric torque in polymer networks" that will appear in Physical Review E. Here we use a nonlinear statistical mechanics approach to the electroelasticity of dielectric polymer chains and obtain a two-way coupling between chain deformation and dielectric response. This two-way coupling leads to electrically induced stresses and volumetric torques within an elastomer network which can be leveraged to develop higher efficiency soft actuators, electroactive materials, and novel electromechanical mechanisms. (https://doi.org/10.1103/PhysRevE.103.042504).

Dear Colleagues,

This is the preprint of an article on the design of elastomer networks for optimal electromechanical response that will appear in JMPS. We explore how various structural properties of an elastomer network (e.g. density of cross-links, fraction of loose-end monomers, orientation density of chains, etc.) affects both its bulk elastic and dielectric properties, and its performance as an actuator. (https://doi.org/10.1016/j.jmps.2020.104171).

This is the preprint of an article that will appear in Soft Matter (doi.org/10.1039/D0SM00845A)

Statistical Mechanical Analysis of the Electromechanical Coupling in an Electrically-Responsive Polymer Chain

Matthew Grasinger and Kaushik Dayal
Carnegie Mellon University

This is the preprint of an article that will appear in Computer Methods in Applied Mechanics and Engineering (https://doi.org/10.1016/j.cma.2020.112946).

Effective Response of Heterogeneous Materials using the Recursive Projection Method

This is the preprint of an article that will appear in Computational Materials Science (doi.org/10.1016/j.commatsci.2019.109217)

A 3D phase field dislocation dynamics model for body-centered cubic crystals

This is the preprint of an article that will appear in JMPS (https://doi.org/10.1016/j.jmps.2017.09.015)

Bond-level Deformation Gradients and Energy Averaging in Peridynamics

Timothy Breitzman (Air Force Research Laboratory), Kaushik Dayal (Carnegie Mellon University)

Abstract

This is the preprint of an article that will appear in the Journal of the Mechanics and Physics of Solids. (doi:10.1016/j.jmps.2013.09.025).

Atomistic-to-Continuum Multiscale Modeling with Long-Range Electrostatic Interactions in Ionic Solids

by Jason Marshall and Kaushik Dayal, Carnegie Mellon University

Abstract 

We present a multiscale atomistic-to-continuum method for ionic crystals with defects. Defects

This is the preprint of an article that has appeared in JMPS (http://dx.doi.org/10.1016/j.jmps.2012.09.008)

Symmetry-Adapted Phonon Analysis of Nanotubes

by Amin Aghaei and Kaushik Dayal, Carnegie Mellon University; Ryan Elliott, University of Minnesota

Abstract

This is the preprint of an article that will appear in Modelling and Simulation in Materials Science and Engineering (doi:10.1088/0965-0393/20/3/035021).

Real-space phase-field simulation of piezoresponse force microscopy accounting for stray electric fields

by Lun Yang and Kaushik Dayal, Carnegie Mellon University

Abstract

This is the preprint of an article that will appear in the International Journal of Fracture (DOI: 10.1007/s10704-011-9670-2).

Microstructure and Stray Electric Fields at Surface Cracks in Ferroelectrics

by Lun Yang and Kaushik Dayal, Carnegie Mellon University

Abstract

This is the preprint of an article that will appear in the Journal of Applied Physics, 111:014106, 2012. (doi:10.1063/1.3674320).

Free Surface Domain Nucleation in a Ferroelectric under an Electrically Charged Tip

by Lun Yang and Kaushik Dayal, Carnegie Mellon University

Abstract

This is the preprint of an article that will appear in the Journal of Computational Physics (DOI: 10.1016/j.jcp.2011.07.001).

A Completely Iterative Method for the Infinite Domain Electrostatic Problem with Nonlinear Dielectric Media

by Lun Yang and Kaushik Dayal, Carnegie Mellon University

Abstract

This is the preprint of an article that will appear in Acta Materialia (DOI: 10.1016/j.actamat.2011.07.014)

Effect of Lattice Orientation, Surface Modulation, and Applied Fields on Free-Surface Domain Microstructure in Ferroelectrics

by Lun Yang and Kaushik Dayal, Carnegie Mellon University

Abstract

This is the preprint of an article that has appeared in the Journal of Fluid Mechanics, 691:461-486, 2012 (doi:10.1017/jfm.2011.483)

Design of viscometers corresponding to a universal molecular simulation method

by Kaushik Dayal (Carnegie Mellon) and Richard D. James (Minnesota)

Abstract:

This is a preprint of an article that will appear in the Philosophical Magazine Letters.

Linear Instability Signals the Initiation of Motion of a Twin Plane Under Load

by Chang-Tsan Lu and Kaushik Dayal

Abstract

This is a preprint of the article: APPLIED PHYSICS LETTERS 96, 081916 2010

Formulation of Phase-Field Energies for Microstructure in Complex Crystal Structures
by Lun Yang and Kaushik Dayal

Abstract

This is a preprint that of an article that will appear in J. Mech. Phys. Solids. (doi: 10.1016/j.jmps.2009.10.008).  Nonequilibrium molecular dynamics for bulk materials and nanostructures,
by Kaushik Dayal and Richard D. James