Amorphization and Fracture in Silicon Diselenide Nanowires: A Molecular Dynamics Study

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

DOI:https://doi.org/10.1103/PhysRevLett.77.2241· OSTI ID:383864

Li, W; Kalia, R K; Vashishta, P ^[1]

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1. Concurrent Computing Laboratory for Materials Simulations, Department of Physics and Astronomy,Department of Computer Science, Louisiana State University, Baton Rouge, Louisiana 70803-4001 (United States)

Dynamics of amorphization and fracture in SiSe{sub 2} nanowires are studied using the molecular-dynamics method. We find that fracture is initiated in an amorphous region at the nanowire surface. Local amorphization propagates across the nanowire while multiple cracks start at the boundaries of the amorphous region. Results for the time evolution of amorphization, crack propagation, and fracture are discussed. {copyright} {ital 1996 The American Physical Society.}

• DOE Contract Number: FG05-92ER45477
• OSTI ID: 383864
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 11 Vol. 77; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
AMORPHOUS STATE
COMPUTERIZED SIMULATION
CRACK PROPAGATION
FRACTURES
NANOSTRUCTURES
QUANTUM WIRES
SELENIDES
SILICON COMPOUNDS
STRUCTURE FACTORS
TEMPERATURE DISTRIBUTION
WIRES