Search results for "Transition point"
showing 6 items of 26 documents
Recent Developments in Monte-Carlo Simulations of First-Order Phase Transitions
1994
In the past few years considerable progress has been made in Monte Carlo simulations of first-order phase transitions and in the analysis of the resulting finite-size data. In this paper special emphasis will be placed on multicanonical simulations using multigrid update techniques, on numerical estimates of interface tensions, and on accurate methods for determining the transition point and latent heat.
Fluids in extreme confinement.
2012
For extremely confined fluids with two-dimensional density $n$ in slit geometry of accessible width $L$, we prove that in the limit $L\to 0$ the lateral and transversal degrees of freedom decouple, and the latter become ideal-gas-like. For small wall separation the transverse degrees of freedom can be integrated out and renormalize the interaction potential. We identify $n L^2 $ as hidden smallness parameter of the confinement problem and evaluate the effective two-body potential analytically, which allows calculating the leading correction to the free energy exactly. Explicitly, we map a fluid of hard spheres in extreme confinement onto a 2d-fluid of disks with an effective hard-core diame…
Second-Order Phase Transition Induced by Deterministic Fluctuations in Aperiodic Eight-State Potts Models
1999
We investigate the influence of aperiodic modulations of the exchange interactions between nearest-neighbour rows on the phase transition of the two-dimensional eight-state Potts model. The systems are studied numerically through intensive Monte Carlo simulations using the Swendsen-Wang cluster algorithm for different aperiodic sequences. The transition point is located through duality relations, and the critical behaviour is investigated using FSS techniques at criticality. While the pure system exhibits a first-order transition, we show that the deterministic fluctuations resulting from the aperiodic coupling distribution are liable to modify drastically the physical properties in the nei…
Discriminating short-range from van der Waals forces using total force data in noncontact atomic force microscopy
2014
Noncontact atomic force microscopy (NC-AFM) features the measurement of forces with highest spatial resolution and sensitivity, resolving forces of the order of pico-Newtons with submolecular resolution. However, the measured total force is a mixture composed of various interactions. While some interactions such as electrostatic or magnetic forces can be excluded by a careful design of the experiment, the subtraction of van der Waals forces, which mainly originate from London dispersion interactions between the macroscopic tip shank and the bulk sample, remains a challenge. We present the determination of the inherently present van der Waals forces in total interaction force data from fitti…
Reference-point-independent dynamics of molecular liquids and glasses in the tensorial formalism.
2002
We apply the tensorial formalism to the dynamics of molecular liquids and glasses. This formalism separates the degrees of freedom into translational and orientational ones. Using the Mori-Zwanzig projection formalism, the equations of motion for the tensorial density correlators S(lmn,l'm'n')(q-->,t) are derived. For this we show how to choose the slow variables such that the resulting Mori-Zwanzig equations are covariant under a change of the reference point of the body fixed frame. We also prove that the memory kernels obtained from mode-coupling theory (MCT) including all approximations preserve the covariance. This covariance makes, e.g., the glass transition point, the two universal s…
Coil-bridge transition in a single polymer chain as an unconventional phase transition: theory and simulation.
2014
The coil-bridge transition in a self-avoiding lattice chain with one end fixed at height H above the attractive planar surface is investigated by theory and Monte Carlo simulation. We focus on the details of the first-order phase transition between the coil state at large height H ⩾ Htr and a bridge state at H ⩽ Htr, where Htr corresponds to the coil-bridge transition point. The equilibrium properties of the chain were calculated using the Monte Carlo pruned-enriched Rosenbluth method in the moderate adsorption regime at (H/Na)tr ⩽ 0.27 where N is the number of monomer units of linear size a. An analytical theory of the coil-bridge transition for lattice chains with excluded volume interact…