next up previous contents
Next: 19990817: a third fully Up: MD work on Previous: 19990814: with correct cell


19990815: $Zr_{250}Ce^{4+}_{50}Ce^{3+}_{200}O_{900}(V^{\cdot \cdot }_O)_{100}$ with correct cell parameter and starting configuration as 19990812

GOAL

Identical to 19990812 (32) with the same starting configuration, but set the ``correct'' cell parameter.

Results

Used the same cell parameter of 19990814 (33): $5.43402073\;\mbox{\textit{\AA}}$.

The following compares the MSD plot for this run and the 19990814 (33) one.

\begin{center}\vbox{\input{19990815-01.pslatex}
}\end{center}


\begin{threeparttable}
\begin{tabular}{lD{.}{.}{12}D{.}{.}{12}l}
&\multicolumn{1...
...7}$} & 6.13445193 & 5.84332217 & {$cm^2/s$}\\
\end{tabular}\end{threeparttable}




The following shows the effect of changing the lattice parameter:

\begin{center}\vbox{\input{19990815-02.pslatex}
}\end{center}