Mw. Roth, The nature of the melting transition for a mixed monolayer system physisorbed onto graphite: Argon and krypton patch impurities, LANGMUIR, 15(6), 1999, pp. 2169-2175
A constant density (rho = 1) constant temperature molecular dynamics method
with periodic boundary conditions is utilized to examine the melting trans
ition for argon impurity patches embedded in krypton monolayer matrixes las
well as for the complement system) deposited onto graphite for various val
ues of argon impurity fraction X. The character and temperature T-m of melt
ing are found to be dependent on the impurity fraction as well as adsorbate
topology vis-a-vis which species is the patch impurity and which is the ma
trix. No phase separation is observed, as the melting temperature of the ma
trix is coincident with that of the patch in all cases examined. Much of th
e behavior exhibited by the system in this study can be understood by vacan
cy formation arguments.