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Theophilus Wallis

Helmholtz Association of German Research Centres - BAM Federal Institute for Materials Research and Testing

Berlin Office

Anna-Louisa-Karsch-Straße 2

Berlin, DE 10178

Germany

  • Helmholtz Association of German Research Centres - BAM Federal Institute for Materials Research and Testing

SCHOLARLY PAPERS

3

DOWNLOADS

237

TOTAL CITATIONS

2

Scholarly Papers (3)

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1.

Linking Atomistic and Phase-Field Modelling of Grain Boundaries I: Coarse-Graining Atomistic Structures

Number of pages: 25 Posted: 12 May 2025
Theophilus Wallis, Sutatch Ratanaphan and Reza Darvishi Kamachali
Helmholtz Association of German Research Centres - BAM Federal Institute for Materials Research and Testing, King Mongkut’s University of Technology (KMUTT) - Department of Computer Engineering and Helmholtz Association of German Research Centres - BAM Federal Institute for Materials Research and Testing
Downloads 92 (736,406)
Citation 1

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Grain boundary structure, Density-based model, Grain boundary thermodynamics, Atomistic

2.

Linking Atomistic and Phase-Field Modelling of Grain Boundaries II: Incorporating Atomistic Potentials into Free Energy Functional

Number of pages: 30 Posted: 12 May 2025
Theophilus Wallis and Reza Darvishi Kamachali
Helmholtz Association of German Research Centres - BAM Federal Institute for Materials Research and Testing and Helmholtz Association of German Research Centres - BAM Federal Institute for Materials Research and Testing
Downloads 78 (816,709)

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Grain boundary structure, Phase-field, Density-based model, Grain boundary thermodynamics

3.

Thermodynamics of Grain Boundary Segregation Transition and Their Relevance for Liquid Metal Embrittlement in Fe-Zn System

Number of pages: 15 Posted: 21 Nov 2024
Yuki Ikeda, Theophilus Wallis, Robert Maaß and Reza Darvishi Kamachali
Helmholtz Association of German Research Centres - BAM Federal Institute for Materials Research and Testing, Helmholtz Association of German Research Centres - BAM Federal Institute for Materials Research and Testing, University of Illinois at Urbana-Champaign and Helmholtz Association of German Research Centres - BAM Federal Institute for Materials Research and Testing
Downloads 67 (899,324)
Citation 1

Abstract:

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CALPHAD, Phase-Field Modelling, Grain boundary segregation transition, Grain boundary engineering, Liquid metal embrittlement, Advanced High-Strength Steels.