--------------------------------------------------------------------
                SEMINAR OF THE DYNAMICAL SYSTEMS GROUP
        Institute for Computational Sciences and Informatics
--------------------------------------------------------------------

           Molecular Dynamics Studies of the Thermal 
            Conductivity and Melting Curve of MgO


                            Mark D. Kluge
                     Geophysical Laboratory 
               Carnegie Institution of Washington
 Molecular dynamics simulations  are currently being performed
to calculate the thermal conductivity of Mgo as a function of 
temperature and pressure.  In this talk, the simulation technique, 
as well as the Greene-Kubo formalism in which the thermal conductivity 
is calculated from the autocorrelation of the energy current, will be 
described.  Recent calculations of the melting curve of MgO using the 
vairationally induced breathing model will also be presented.  
In these calculations the Claussius-Claperyon Equation
was used to calculate the slope of the melting curve, and integrated 
numerically to obtain the melting temperature as a function of
pressure.  The slope at zero pressure was found to be in good agreement 
with the clustercalculations of Cohen and Gong, but to be much greater 
than that obtained in the recent experiments of Zerr and Boehler.


                         Monday , January 30 1995
                              5:30 pm
                    Room 206, Science & Tech. I
-------------------------------------------------------------------