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high strain rate in MD simulations
Fri, 2011-04-01 22:37 - Azadeh Sheidaei
Dear All,
Recently I have read some literatures on Molecular simulation of polymer. My interest is measurement of
mechanical properties of polymer through the uniaxial tensile test.
I have a question about relatively large time scales in MD simulations of polymer and how to interpret MD
stress-strain results for FE modeling. In particular, in the literature it is mentioned that strain rate of
109 1/s is very large compared to Experimentally observed values. I would greatly appreciate if someone
guide me on how one can convert the MD values for strain rate for FE simulations or point out references
in the literature where these issues are discussed in more detail.
Thanks
AZadeh
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how you are simulating the
how you are simulating the loading? either by continous loading or relaxing the system in between loading steps?
In case if you are applying strain continuosly, fix the deformation value per time step in corresponding to the reasonable expermintal strain rate value (5-10m/s).
In case of equilibrating the system between loading steps, you do the same as above but by neglecting the relaxation period.
Thank you very much Prasad
Thank you very much Prasad for your reply and useful information.could you plesae refer to a paper I can read about this?.
Azadeh