Thermodynamic Criterion for the Stability of Amorphous Intergranular Films in Covalent Materials

Journal Article · Sun Sep 01 00:00:00 EDT 1996 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.77.2965· OSTI ID:385782

Keblinski, P; Phillpot, S R; Wolf, D ^[1]; Gleiter, H ^[2]

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1. Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)
2. Forschungszentrum Karlsruhe, 76021 Karlsruhe (Germany)

The thermodynamic origin of disordered intergranular films commonly found in covalent ceramic materials is studied by molecular-dynamics simulation. Our studies show that all high-energy grain boundaries in a model covalent material, silicon, exhibit a universal amorphous structure, whereas low-energy boundaries are crystalline. This allows the identification of a thermodynamic criterion for the existence of stable disordered intergranular films based on the relative energies of the atoms in the grain boundaries and in the bulk amorphous phase. {copyright} {ital 1996 The American Physical Society.}

• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 385782
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 14 Vol. 77; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
66 PHYSICS
AMORPHOUS STATE
CERAMICS
CHEMICAL BONDS
COMPUTERIZED SIMULATION
COVALENCE
GRAIN BOUNDARIES
SILICON
STABILITY
THERMODYNAMICS
THIN FILMS