Molecular-dynamics simulation of grain-boundary diffusion creep. Keblinski, P., Wolf, D., & Gleiter, H. Interface Science, 6(3):205--212, July, 1998. WOS:000075316500004doi abstract bibtex Molecular-dynamics (MD) simulations are used, for the first time, to study grain-boundary diffusion creep of a model polycrystalline silicon microstructure. Our fully dense model microstructures, with a grain size of up to 7.5 nm, were grown by MD simulations of a melt into which small, randomly oriented crystalline seeds were inserted. In order to prevent grain growth and thus to enable steady-state diffusion creep to be observed on a time scale accessible to MD simulations (of typically 10(-9) s), our input microstructures were tailored to (i) have a uniform grain shape and a uniform grain size of nm dimensions and (ii) contain only high-energy grain boundaries which are known to exhibit rather fast, liquid-like self-diffusion. Our simulations reveal that under relatively high tensile stresses these microstructures, indeed, exhibit steady-state diffusion creep that is homogenous (i.e., involving no grain sliding), with a strain rate that agrees quantitatively with that given by the Coble-creep formula.
@article{ keblinski_molecular-dynamics_1998,
title = {Molecular-dynamics simulation of grain-boundary diffusion creep},
volume = {6},
issn = {0927-7056},
doi = {10.1023/A:1008664218857},
abstract = {Molecular-dynamics ({MD}) simulations are used, for the first time, to study grain-boundary diffusion creep of a model polycrystalline silicon microstructure. Our fully dense model microstructures, with a grain size of up to 7.5 nm, were grown by {MD} simulations of a melt into which small, randomly oriented crystalline seeds were inserted. In order to prevent grain growth and thus to enable steady-state diffusion creep to be observed on a time scale accessible to {MD} simulations (of typically 10(-9) s), our input microstructures were tailored to (i) have a uniform grain shape and a uniform grain size of nm dimensions and (ii) contain only high-energy grain boundaries which are known to exhibit rather fast, liquid-like self-diffusion. Our simulations reveal that under relatively high tensile stresses these microstructures, indeed, exhibit steady-state diffusion creep that is homogenous (i.e., involving no grain sliding), with a strain rate that agrees quantitatively with that given by the Coble-creep formula.},
number = {3},
journal = {Interface Science},
author = {Keblinski, P. and Wolf, D. and Gleiter, H.},
month = {July},
year = {1998},
note = {{WOS}:000075316500004},
pages = {205--212}
}
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