Simulating microgalvanic corrosion in alloys using the PRISMS phase-field framework

Vishwas Goel, Yanjun Lyu, Stephen DeWitt, David Montiel, Katsuyo Thornton

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

In this prospective paper, we first review the existing simulation tools to simulate microgalvanic corrosion during free immersion. Then, we describe a recently developed application that employs PRISMS-PF, an open-source, high-performance phase-field modeling framework. The model employed in the application accounts for the electrochemical reaction at the metal/electrolyte interface and ionic migration in the electrolyte to determine the evolution of the corrosion front. We present the implementation details for the application and discuss its features such as super-linear parallel scaling performance for a sufficiently large system. Finally, we demonstrate the capability of the application by simulating corrosion of the matrix phase of an alloy near a secondary phase particle in two and three dimensions. Graphical abstract: [Figure not available: see fulltext.].

Original languageEnglish
Pages (from-to)1050-1059
Number of pages10
JournalMRS Communications
Volume12
Issue number6
DOIs
StatePublished - Dec 2022
Externally publishedYes

Funding

This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Award No. DE-SC0008637 as part of the Center for Predictive Integrated Structural Materials Science (PRISMS Center) at the University of Michigan. Computational resources and services were provided by the Extreme Science and Engineering Discovery Environment[48](XSEDE) through allocation No. TG-DMR110007 and the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility located at Lawrence Berkeley National Laboratory, operated under Contract No. DE-AC02-05CH11231 using NERSC award BES-ERCAP0018091 and BES-ERCAP0017801. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Award No. DE-SC0008637 as part of the Center for Predictive Integrated Structural Materials Science (PRISMS Center) at the University of Michigan. Computational resources and services were provided by the Extreme Science and Engineering Discovery Environment (XSEDE) through allocation No. TG-DMR110007 and the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility located at Lawrence Berkeley National Laboratory, operated under Contract No. DE-AC02-05CH11231 using NERSC award BES-ERCAP0018091 and BES-ERCAP0017801. []

Keywords

  • Corrosion
  • Materials genome
  • Mg
  • Microstructure
  • Modeling
  • Simulation

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