Fracture Behavior of Diamond. Atomistic Simulation.
نویسندگان
چکیده
منابع مشابه
Atomistic modeling of the fracture of polycrystalline diamond
A series of molecular-dynamics simulations using a many-body interatomic potential has been performed to investigate the behavior under load of several ^001& and ^011& symmetrical tilt grain boundaries ~GB’s! in diamond. Cohesive energies, the work for fracture, maximum stresses and strains, and toughness as a function of GB type are evaluated. Results indicate that special short-period GB’s po...
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Molecular dynamics simulations were used to calculate the thermal conductivity of carbon nanotubes and diamond nanowires with atomic interactions modeled by the Brenner potential. The dependence of thermal conductivity on length, temperature, and temperature “boundary” condition was investigated. Lengths from 50 nm to 1 μm were simulated at a temperature of 290 K, and additional simulations wer...
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The emerging field of nanomechanics is providing a new focus in the study of the mechanics of materials, particularly in simulating fundamental atomic mechanisms involved in the initiation and evolution of damage. Simulating fundamental material processes using first principles in physics strongly motivates the formulation of computational multiscale methods to link macroscopic failure to the u...
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ژورنال
عنوان ژورنال: Materia Japan
سال: 1999
ISSN: 1340-2625,1884-5843
DOI: 10.2320/materia.38.325