Molecular dynamics simulation of lattice vibration and elastic properties in nanoparticles
نویسندگان
چکیده
منابع مشابه
Elastic Properties and Fracture Analysis of Perfect and Boron-doped C2N-h2D Using Molecular Dynamics Simulation
This paper explores the mechanical properties and fracture analysis of C2N-h2D single-layer sheets using classical molecular dynamics (MD) simulations. Simulations are carried out based on the Tersoff potential energy function within Nose-Hoover thermostat algorithm at the constant room temperature in a canonical ensemble. The influences of boron (B) doping on the mechanical properties, ...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2007
ISSN: 1742-6596
DOI: 10.1088/1742-6596/92/1/012055