Bilge Yildiz (Massachusetts Institute of Technology), Erik Sapper (Boeing Research & Technology), Ivan Cole (CSIRO, Melbourne, Australia), Izabela Szlufarska (University of Wisconsin, Madison)
The increasing availability of high performance computational resources in the form of hardware, software, codes, forcefields, and interatomic potentials has spurred many researchers to apply these tools to corrosion, fracture, friction, adhesion and (electro-) catalysis, representing a spectrum of electro-chemo-mechanical processes. The coupling of chemistry, electrochemistry and mechanics underlies material behavior in many applications ranging from infrastructure to energy conversion. For example, chemical reactions can alter interfacial and surface stress, which then affect nanomechanical processes in structural load-bearing materials and lead to stress-corrosion cracking. On the other hand, mechanical stress can be used to alter the energy landscape of the electrochemical reactions and tune reaction kinetics in catalysts and electrochemical energy conversion devices.
Describing electro-chemo-mechanical behavior requires multiscale simulation methods which dynamically couple the macroscopic stress fields with the chemical or electrochemical reactions at the electronic and atomic scale, and to reproduce evolution of microstructure and properties observed in macroscopic experiments. At the smallest length scales, quantum mechanics investigations can probe the local electronic structure of materials and molecules at active sites, while macroscale simulations, for example, are coupling ocean current patterns to coastal aerosolized chloride concentration and subsequent location- and season-dependent corrosion rate. Connecting these disparate length and times scales, as well as the regions in between the extremes, is the goal of current multiscale modeling efforts.
This MMM2014 symposium will solicit speakers and papers regarding the various components needed to construct multiscale models for coupling of the mechanics to the chemistry or electrochemistry in materials, and aims to coordinate developments in traditionally separate communities which deal with fundamentally the same type of electro-chemo-mechanical phenomena.
Topics to be considered in the symposium include:
Abstract acceptance notifications will be sent to the submitting authors by the end of April 2014. At the discretion of the symposium organizers, a small number of contributed abstracts may be elevated to the invited status.
Confirmed Invited Speakers