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high strain rate in MD simulations

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

Comments

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 for your reply and useful information.could you plesae refer to a paper I can read about this?.

Azadeh

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