4.3 Article

Mechanical Metrics of Virtual Polycrystals (MechMet)

Journal

Publisher

SPRINGER HEIDELBERG
DOI: 10.1007/s40192-021-00206-7

Keywords

Finite element; Mechanical properties; FEpX; Neper; Elastic modulus; Stiffness

Funding

  1. ONR [N00014-16-1-3126]
  2. National Science Foundation [DMR-1829070, 1934641, CNS-1725797]
  3. Office of Naval Research Grants [N00014-19-1-2129, N00014-18-1-2392]
  4. MRSEC Program of the NSF [DMR 1720256]
  5. NSF
  6. California NanoSystems Institute at UC Santa Barbara
  7. Materials Research Science and Engineering Center (MRSEC
  8. NSF) at UC Santa Barbara [DMR 1720256]
  9. Direct For Computer & Info Scie & Enginr
  10. Office of Advanced Cyberinfrastructure (OAC) [1934641] Funding Source: National Science Foundation

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The MechMet software package is a new finite element tool for solving elasticity field equations in polycrystals and investigating microstructure-induced heterogeneity. It can compute various mechanical metrics and generate formatted output files for visualization using Paraview or VisIt.
The details of polycrystalline microstructure often influence the early stages of yielding and strain localization under monotonic and cyclic loading, particularly in elastically anisotropic materials. A new software package, MechMet (mechanical metrics) provides a convenient finite element tool for solving field equations for elasticity in polycrystals in conjunction with investigations of microstructure-induced heterogeneity. The simulated displacement field is used to compute several mechanical metrics, such as the strain and stress tensors, directional stiffness, relative Schmid factor, and the directional strength-to-stiffness ratio. The virtual polycrystal finite element meshes needed by MechMet can be created with the Neper package or any other method that produces a 10-node, tetrahedral, serendipity element. Formatted output files are automatically generated for visualization with Paraview or VisIt. This paper presents an overview of the MechMet package and its application to polycrystalline materials of both cubic and hexagonal structures.

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