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Sandians as Guest Editors of Modeling & Simulation in Materials Science and Engineering Focus Section

Inputs and outputs to the Sandia battery-abuse modeling program, focusing on bridging the gap between atomistic and cell-level simulations. Each link in the chain builds on the results from the previous, finer-detail stage to ultimately deliver an accurate predictive capability to assess new battery chemistries before building prototypes.

Inputs and outputs to the Sandia battery-abuse modeling program, focusing on bridging the gap between atomistic and cell-level simulations. Each link in the chain builds on the results from the previous, finer-detail stage to ultimately deliver an accurate predictive capability to assess new battery chemistries before building prototypes.

Many vital needs in worldwide energy production, from electrifying trans­portation to enhancing renewable-energy production, depend on developing economical, reliable batteries with improved performance and safety. Meeting these needs will require dramatic changes in electrical energy storage materials and chemistries. New methods and computational capabilities offer the potential that modeling and simulation can fundamentally advance improved materials development for battery applications. Energy storage materials and materials-related issues span a wide breadth of length scales and disciplines.

Two Sandia researchers, Richard Muller (Advanced Device Technologies Dept.) and Peter Schlultz (Multiscale Science Dept.), served as the guest editors for a recent focus section in Modeling & Simulation in Materials Science and Engineering published in October 2013. They

  • organized and edited a survey of outstanding challenges of model­ing for energy storage,
  • summarized recent advances to address these challenges, and
  • discussed the outlook of the use of these methods for future battery development.

Their editorial opens the focus section, lays forth the challenges, and introduces the sequence of nine papers comprising the section.

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