Related papers: Identifying transitions in finite systems by means…
In statistical physics, phase transitions are arguably among the most extensively studied phenomena. In the computational approach to this field, the development of algorithms capable of estimating entropy across the entire energy spectrum…
We introduce a systematic classification method for the analogs of phase transitions in finite systems. This completely general analysis, which is applicable to any physical system and extends towards the thermodynamic limit, is based on…
By means of the principle of minimal sensitivity we generalize the microcanonical inflection-point analysis method by probing derivatives of the microcanonical entropy for signals of transitions in complex systems. A strategy of…
We employ the recently introduced generalized microcanonical inflection point method for the statistical analysis of phase transitions in flexible and semiflexible polymers and study the impact of the bending stiffness upon the character…
We employ the microcanonical inflection-point analysis method, developed for the systematic identification and classification of phase transitions in systems of any size, to study the two-dimensional Ising model at various lattice sizes and…
In the study of phase transitions a very few models are accessible to exact solution. In the most cases analytical simplifications have to be done or some numerical technique has to be used to get insight about their critical properties.…
In detailed microcanonical analyses of densities of states obtained by extensive multicanonical Monte Carlo computer simulations, we investigate the caloric properties of conformational transitions adsorbing polymers experience near…
By setting the inverse temperature $\beta$ loose to occupy the complex plane, Fisher showed that the zeros of the complex partition function $Z$, if approaching the real $\beta$ axis, reveal a thermodynamic phase transition. More recently,…
We study conformational transitions of a polymer on a simple-cubic lattice by calculating the zeros of the exact partition function, up to chain length 24. In the complex temperature plane, two loci of the partition function zeros are found…
Phase transitions are one of the most interesting natural phenomena. For finite systems, one of the concerns in the topic is how to classify a specific transition as being of first, second, or even of a higher order, according to the…
The continuous ferromagnetic-paramagnetic phase transition in the two-dimensional Ising model has already been excessively studied by conventional canonical statistical analysis in the past. We use the recently developed generalized…
We report on a new method to extract thermodynamic properties from the density of partition function zeroes on finite lattices. This allows direct determination of the order and strength of phase transitions numerically. Furthermore, it…
The investigation of freezing transitions of single polymers is computationally demanding, since surface effects dominate the nucleation process. In recent studies we have systematically shown that the freezing properties of flexible,…
Since the landmark work of Lee and Yang, locating the zeros of the partition function in the complex magnetic-field plane has become a powerful method for studying phase transitions. Fisher later extended this approach to complex…
We study the collapse transition of the lattice homopolymer on a square lattice by calculating the exact partition function zeros. The exact partition function is obtained by enumerating the number of possible conformations for each energy…
We investigate the cooperative effects of a single finite chain of monomers near an attractive substrate by first constructing a conformational pseudo-phase diagram based on the thermal fluctuations of energetic and structural quantities.…
Generalized-ensemble simulations enable the study of complex adsorption scenarios of a coarse-grained model polymer near an attractive nanostring, representing an ultrathin nanowire. We perform canonical and microcanonical statistical…
We propose the use of microcanonical analyses for numerical studies of peptide aggregation transitions. Performing multicanonical Monte Carlo simulations of a simple hydrophobic-polar continuum model for interacting heteropolymers of finite…
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…
Concepts of the complex partition functions and the Fisher zeros provide intrinsic statistical mechanisms for finite temperature and real time dynamical phase transitions. We extend the utility of these complexifications to quantum phase…