Phase Field Study of Lattice Instability and Nanostructure Evolution in Silicon During Phase Transformation Under Complex Loading

Conference paper
Part of the The Minerals, Metals & Materials Series book series (MMMS)

Abstract

An advanced phase-field approach (PFA) to study martensitic phase transformations is developed for finite strains, particularly taking into account crystal lattice instability conditions under complex triaxial compression-tension loading obtained using molecular dynamics (MD) simulations. Calibration of novel phase-field instability criteria with those from MD simulations for Si I \( \leftrightarrow \) Si II phase transformations leads to unexpected interpolation functions for transformation strain and elastic constants. A finite element algorithm and a numerical procedure are developed and implemented using code deal.II. The effect of stress state on lattice instability and nanostructure evolution is studied. Within a specific stress range for which direct and reverse transformation instability stresses coincide, a unique homogeneous, hysteresis-free, and dissipation-free transformation is observed. For such a transformation, a continuum of intermediate phases exists along the transformation path, all in indifferent thermodynamic equilibrium. The absence of interfaces results in the absence of internal stresses and minimizes damage. All these properties are optimal for various PT-related applications.

Keywords

Phase field approach Martensitic phase transformation Lattice instability conditions 

Notes

Support of NSF (CMMI-1536925 and DMR-1434613), ARO (W911NF-17-1-0225), XSEDE (TG-MSS140033), and ISU (Schafer 2050 Challenge Professorship and Vance Coffman Faculty Chair Professorship) is gratefully acknowledged.

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Copyright information

© The Minerals, Metals & Materials Society 2018

Authors and Affiliations

  1. 1.Department of Aerospace EngineeringIowa State UniversityAmesUSA
  2. 2.Ames Laboratory, Division of Materials Science & Engineering, Departments of Aerospace Engineering, and Mechanical Engineering, and Material Science & EngineeringIowa State UniversityAmesUSA

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