0000000000764659
AUTHOR
M. Kreer
showing 2 related works from this author
Modelling of Orientational Ordering in Lipid Monolayers
1993
Lipid monolayers at high densities are modelled as rigid rods grafted to an interface at the sites of a regular lattice. The transition between the state where the rods are uniformly tilted to a disordered state with no (average) tilt is studied by computer simulation methods. For the one-dimensional model, the molecular dynamics approach is found much less suitable to equilibrate the system rather than Monte Carlo methods. Both in d=2 discretized versions of Monte Carlo codes are much more efficient than continuum Monte Carlo methods, in spite of huge storage requirements. While in d=l the transition occurs at temperature T=0 via the spontaneous creation of solitons, at d=2 a finite temper…
Path-Integral Monte Carlo Simulation for H2 and D2 Adsorbed on Graphite
1997
Molecular layers are very good realizations of two dimensional systems. Hydrogen molecules H 2,HD,D 2 adsorbed on graphite are excellent model systems for investigating the influence of substrate fields and of quantum effects on phase transitions. At a coverage of a complete commensurable layer in the √3 x √3 R30° structure experiments showed an anomalous effect, the system with the lighter H 2 molecules has a higher order-disorder transition temperature compared to the system with the heavier D 2 molecules. By a combination of path integral Monte Carlo and finite size scaling techniques we analyze this effect. In detail we study the order parameter and the cumulants and discuss the impact …