mechanoChem codes:



  • mechanoChem: The mechanoChem code is an isogeometric analysis based code used to solve the partial differential equations describing solid mechanics (including gradient elasticity) and chemistry (including the Cahn-Hilliard phase field model). This code is built on the PetIGA and PETSc libraries, and it uses the automatic differentiation capabilities of the Sacado package from the Trilinos library. Many of the results presented in our research of microstructure in materials were computed with this code. Some sample results are shown below.

    [Click images to enlarge/play]

    If you write a paper with results obtained using this code, please consider citing one or more of the following:
    • A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations (under review)
      G. Teichert, H. Gunda, S. Rudraraju, A. Natarajan, B. Puchala, K. Garikipati, A. Van der Ven
      arXiv, BibTex
    • A variational treatment of material configurations with application to interface motion and microstructural evolution (under review)
      G. Teichert, S. Rudraraju, K. Garikipati
      arXiv, BibTex
    • Mechano-chemical spinodal decomposition: A phenomenological theory of phase transformations in multi-component, crystalline solids
      S. Rudraraju, A. Van der Ven, K. Garikipati
      Nature npj Computational Materials, arXiv, BibTex

    This code has been developed under the support of the following:
    • NSF DMREF grant: DMR1436154 "DMREF: Integrated Computational Framework for Designing Dynamically Controlled Alloy-Oxide Heterostructures"
    • NSF CDI Type I grant: CHE1027729 "Meta-Codes for Computational Kinetics"
    • DOE BES, Division of Materials Sciences and Engineering: Award #DE-SC0008637 that funds the PRedictive Integrated Structural Materials Science (PRISMS) Center at University of Michigan

  • defectsElasticity: The defectsElasticity code is an isogeometric analysis based code, for solving the partial differential equations. Currently it includes two initBoundValueProblems: 1.structure problem; 2.defects (point defects, edge dislocations, screw dislocations and dislocation loop) represent by force dipole. The code is based on openIGA which is our own software for isogeometric analysis. It is the applicable code for research of Scaling in elasticity. Some sample results are shown below.
  • [Click images to enlarge/play]

    This code has been developed under the support of the following:
    • NSF NSF CDI Type I Grant: CHE1027729 “Meta-Codes for Computational Kinetics”
    • NSF NSF DMREF grant: DMR1436154 “DMREF: Integrated Computational Framework for Designing Dynamically Controlled Alloy-Oxide Heterostructures”

    If you write a paer using results obtained with the help of this code, please consider citing one or more of the following:

  • openIGA:openIGA is a an isogeometric analysis based lib. It provides Nonuniform Rational B-Splines (NURBS) basis functions with generic finite element method commands for solving partial differential equations. It uses the automatic differentiation capabilities of the Sacado package from the Trilino library, and it used deal.II for threads management. Currently the code is multi-threaded. defectsElasticity code is based on this software.

    This code has been developed under the support of the following:
    • NSF NSF CDI Type I Grant: CHE1027729 “Meta-Codes for Computational Kinetics”
    • NSF NSF DMREF grant: DMR1436154 “DMREF: Integrated Computational Framework for Designing Dynamically Controlled Alloy-Oxide Heterostructures”

    If you write a paer using results obtained with the help of this code, please consider citing one or more of the following:

  • batteryCode: The battery code is an finite element method code used to model continuum formulation for the electrostatic, chemical, thermal and mechanical processes in battery materials. This code is built on the deal.II and PETSc libraries, and it uses the automatic differentiation capabilities of the Sacado package from the Trilinos library. Currently we have homogenized model and particle scale model.

    [Click images to enlarge/play]

    This code has been developed under the support of the following:
    • Advanced Research Projects AgencyEnergy (ARPA-E), U.S. Department of Energy, under Award #DE-AR0000269.
    • U.S. Department of Energy, office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award #DE-SC0008637.
    • Flux computing cluster at University of Michigan.

    If you write a paer using results obtained with the help of this code, please consider citing one or more of the following:
      Homogenized model:
    • Intercalation driven porosity effects on the electro-chemo-thermo-mechanical response in continuum models for battery material electrodes, Z, Wang, J. Siegel, K. Garikipati, Journal of the Electrochemical Society, Journal of the Electrochemical Society, Vol. 164: A2199-A2212, 2017, doi:10.1149/2.0081712jes, [available on arXiv]
      partile scale model:
    • coming soon