A structural model for grain boundaries in nanocrystalline materials

Journal Article · Sun Oct 15 04:00:00 EDT 1995 · Scripta Metallurgica et Materialia

DOI:https://doi.org/10.1016/0956-716X(95)00350-5· OSTI ID:237803

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

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1. Argonne National Lab., Argonne, IL (United States). Materials Science Div.
2. Forschungszentrum Karlsruhe (Germany)

Molecular-dynamics simulations have been used to synthesize and characterize a fully dense, three-dimensional, relaxed nanocrystalline material with an average grain size of 4.3 nm by crystallization from the melt. In spite of some striking similarities, the atomic structures of the highly constrained grain boundaries in this material are considerably less ordered and their energies are less anisotropic than those well-known from bicrystal studies. Although this GB phase is neither bulk-glass like nor can it be described in terms of structural models derived from bicrystal studies, the concept of a cement-like phase connecting the nanometer-sized grains, reminiscent of Rosenhains`s amorphous-cement model, describes the observations well.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 237803
• Journal Information: Scripta Metallurgica et Materialia, Journal Name: Scripta Metallurgica et Materialia Journal Issue: 8 Vol. 33; ISSN 0956-716X; ISSN SCRMEX
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
COMPUTERIZED SIMULATION
CRYSTALLIZATION
CRYSTALS
GRAIN BOUNDARIES
GRAIN SIZE
INTERFACES
LATTICE PARAMETERS
LENNARD-JONES POTENTIAL
LIQUIDS
MELTING
ORIENTATION
SYNTHESIS
THREE-DIMENSIONAL CALCULATIONS