arXiv subjects

K. Binder

Publications and source records attributed to K. Binder.

75 records · Page 5Linked to original sources

arXiv1996

Finite-size scaling for near-critical continuum fluids at constant pressure

We consider the application of finite-size scaling methods to isothermal-isobaric (constant-NpT) simulations of pure continuum fluids. A finite-size scaling ansatz is made for the dependence of the relevant scaling operators on the particle number. To test the proposed scaling form, constant pressure simulations of the Lennard-Jones fluid at its liquid-vapour critical point are performed. The critical scaling operator distributions are obtained and their scaling with particle number found to be consistent with the proposed behaviour. The forms of these scaling distributions are shown to be identical to their Ising model counterparts. The relative merits of employing the constant-NpT and grand canonical (constant-$μ$VT) ensembles for simulations of fluid criticality are also discussed.

cond-mat↗

arXiv1996

Chain length dependence of the polymer-solvent critical point parameters

We report grand canonical Monte Carlo simulations of the critical point properties of homopolymers within the Bond Fluctuation model. By employing Configurational Bias Monte Carlo methods, chain lengths of up to N=60 monomers could be studied. For each chain length investigated, the critical point parameters were determined by matching the ordering operator distribution function to its universal fixed-point Ising form. Histogram reweighting methods were employed to increase the efficiency of this procedure. The results indicate that the scaling of the critical temperature with chain length is relatively well described by Flory theory, i.e. Θ-T_c\sim N^{-0.5}. The critical volume fraction, on the other hand, was found to scale like ϕ_c\sim N^{-0.37}, in clear disagreement with the Flory theory prediction ϕ_c\sim N^{-0.5}, but in good agreement with experiment. Measurements of the chain length dependence of the end-to-end distance indicate that the chains are not collapsed at the critical point.

cond-mat↗

arXiv1995

Cooling rate dependence of the internal structure of a Lennard-Jones glass

Using molecular dynamics computer simulations we investigate the dependence of bulk properties of a Lennard-Jones glass on the cooling rate with which the glass was produced. By studying the clusters formed by the nearest neighbor shells of the particles, we show that the internal structure of the glass depends on the cooling rate and that the cooling rate dependence of the enthalpy of the glass can be understood by the change of this internal structure.

cond-mat↗