Project Report:

    Introduction 
    Water Potential
    MD simulations 
    Results 
    Conclusions
    References

Slides

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Team 2 

Xiaohai Li
Vamsi Akkineni
Jianwei Wang 

Fall, 2002 

MD Studies of LDL and HDL Phases of Supercooled Water 

Xiaohai Li, Vamsi Akkineni, Jianwei Wang


Conclusions:

       1.  SPC model is suitable for simulating the supercooled water. Calculated site to site radial distribution 
            functions are consistent with the these from EPSR based on neutron diffraction data. 

       2. Comparison between LDL and HDL phase shows that a parially filled shell between first shell and 
            second shell in HDL, which doesn't present at LDL. Our simulation supports the conjecture of LDL  
            and HDL phases at low temperature.

       3. More state points can be simulated to find the second critical point.