Executive Summary

vision

As part of the CAEBAT (Computer Aided Engineering for Batteries) activities, ORNL developed a flexible, robust, and computationally scalable open-architecture framework that integrates multi-physics and multi-scale battery models. The physics phenomena of interest include charge and thermal transport, electrochemical reactions, and mechanical stresses. They operate and interact across the porous 3D structure of the electrodes (cathodes and anodes), the solid or liquid electrolyte system and the other battery components. The underlying lower-length processes are accounted for through closure equations and sub-models that are based on resolved quantities. See the schematic for the overall vision of this program.

Virtual Test Bed for Batteries

vibe2

The CAEBAT tools developed at ORNL are providing a virtual test bed for modeling batteries to achieve the following:

  • Community software infrastructure
  • Standardization to enhance leveraging
  • Usability and re-use
  • Scale bridging
  • Scalability to many cores

The main components of this CAEBAT infrastructure are:

  1. OAS – Open Architecture Software – provides a python based computational infrastrucure for interaction and orchestration between the various components
  2. BatML – An XML standard for battery inputs along with translators to other formatsvibe1
  3. Battery State – A standard for the state file to exchange information between the components
  4. ICE – Integrated Computational Environment to provide an user environment to simplify the workflow of modeling and visualizing batteries
  5. VIBE – Virtual Integrated Battery Environment which brings all these pieces together with several components to be able to simulate batteries

The attached schematics show interaction between the various components within the CAEBAT infrastructure.