Correlated dynamics in aqueous proton diffusion

Abstract

Correlated hopping directions are observed in ab initio simulation of proton diffusion indicating that the simple random walk model is not valid for the interpretation of experimental results.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2018
Source ID
10.1039/c8sc01253a

Entities

People

  • Brett I. Dunlap
  • Daniel Gunlycke
  • Sean A Fischer

Organizations

  • Office of Naval Research
  • United States Army
  • United States Naval Research Laboratory
  • Washington University in St. Louis

Tags

Fields of Study

  • Physics

Readers

  • Computational Modeling and Simulation
  • Materials Science and Engineering.
  • Quantum Chemistry