6533b7d4fe1ef96bd1261cfb

RESEARCH PRODUCT

Phase Transitions in Classical Fluids and Fluids with Internal Quantum States in Two Dimensions: Computer Simulations and Theory

P. Nielaba

subject

PhysicsDipolePhase transitionMolecular dynamicsTricritical pointQuantum stateQuantum mechanicsDegrees of freedom (physics and chemistry)Classical fluidsPath integral Monte Carlo

description

1)We investigate the properties of a model fluid whose molecules have classical degrees of freedom in two dimensions and two internal quantum states. The attractive interactions are “turned on” when the internal states are hybridized, corresponding to the molecules acquiring a “dipole” moment. The phase diagram of this system in the temperature- density plane is investigated by a combination of path integral Monte Carlo and block size analysis techniques. The results are compared with mean- field—theory predictions. 2) We present molecular dynamics simulation results of quenches into the unstable region of a two-dimensional Lennard-Jones system. The evolution of the system from the non-equilibrium state into equilibrium was analyzed with a dynamical block analysis.

yearjournalcountryeditionlanguage
1993-01-01
https://doi.org/10.1007/978-3-642-84878-0_2