Magnetic Phase Diagram of the Ferromagnetically Stacked Triangular XY Antiferromagnet: A Finite-Size Scaling Study

Histogram Monte-Carlo simulation results are presented for the magnetic-field -- temperature phase diagram of the XY model on a stacked triangular lattice with antiferromagnetic intraplane and ferromagnetic interplane interactions. Finite-size scaling results at the various transition boundaries are consistent with expectations based on symmetry arguments. Although a molecular-field treatment of the Hamiltonian fails to reproduce the correct structure for the phase diagram, it is demonstrated that a phenomenological Landau-type free-energy model contains all the esstential features. These results serve to complement and extend our earlier work [Phys. Rev. B {\bf 48}, 3840 (1993)].Comment: 5 pages (RevTex 3.0), 6 figures available upon request, CRPS 93-

Site Percolation and Phase Transitions in Two Dimensions

The properties of the pure-site clusters of spin models, i.e. the clusters which are obtained by joining nearest-neighbour spins of the same sign, are here investigated. In the Ising model in two dimensions it is known that such clusters undergo a percolation transition exactly at the critical point. We show that this result is valid for a wide class of bidimensional systems undergoing a continuous magnetization transition. We provide numerical evidence for discrete as well as for continuous spin models, including SU(N) lattice gauge theories. The critical percolation exponents do not coincide with the ones of the thermal transition, but they are the same for models belonging to the same universality class.Comment: 8 pages, 6 figures, 2 tables. Numerical part developed; figures, references and comments adde

Helix vs. Sheet Formation in a Small Peptide

Segments with the amino acid sequence EKAYLRT appear in natural occurring proteins both in $\alpha$-helices and $\beta$-sheets. For this reason, we have use this peptide to study how secondary structure formation in proteins depends on the local environment. Our data rely on multicanonical Monte Carlo simulations where the interactions among all atoms are taken into account. Results in gas phase are compared with that in an implicit solvent. We find that both in gas phase and solvated EKAYLRT forms an $\alpha$-helix when not interacting with other molecules. However, in the vicinity of a $\beta$-strand, the peptide forms a $\beta$-strand. Because of this change in secondary structure our peptide may provide a simple model for the $\alpha \to \beta$ transition that is supposedly related to the outbreak of Prion diseases and similar illnesses.Comment: to appear in Physical Review

Self-Averaging, Distribution of Pseudo-Critical Temperatures and Finite Size Scaling in Critical Disordered Systems

The distributions $P(X)$ of singular thermodynamic quantities in an ensemble of quenched random samples of linear size $l$ at the critical point $T_c$ are studied by Monte Carlo in two models. Our results confirm predictions of Aharony and Harris based on Renormalization group considerations. For an Ashkin-Teller model with strong but irrelevant bond randomness we find that the relative squared width, $R_X$, of $P(X)$ is weakly self averaging. $R_X\sim l^{\alpha/\nu}$, where $\alpha$ is the specific heat exponent and $\nu$ is the correlation length exponent of the pure model fixed point governing the transition. For the site dilute Ising model on a cubic lattice, known to be governed by a random fixed point, we find that $R_X$ tends to a universal constant independent of the amount of dilution (no self averaging). However this constant is different for canonical and grand canonical disorder. We study the distribution of the pseudo-critical temperatures $T_c(i,l)$ of the ensemble defined as the temperatures of the maximum susceptibility of each sample. We find that its variance scales as $(\delta T_c(l))^2 \sim l^{-2/\nu}$ and NOT as $\sim l^{-d}. We find that$R_\chi$is reduced by a factor of$\sim 70$with respect to$R_\chi (T_c)$by measuring$\chi$of each sample at$T_c(i,l)$. We analyze correlations between the magnetization at criticality$m_i(T_c,l)$and the pseudo-critical temperature$T_c(i,l)$in terms of a sample independent finite size scaling function of a sample dependent reduced temperature$(T-T_c(i,l))/T_c$. This function is found to be universal and to behave similarly to pure systems.Comment: 31 pages, 17 figures, submitted to Phys. Rev.

Magnetization reversal times in the 2D Ising model

We present a theoretical framework which is generally applicable to the study of time scales of activated processes in systems with Brownian type dynamics. This framework is applied to a prototype system: magnetization reversal times in the 2D Ising model. Direct simulation results for the magnetization reversal times, spanning more than five orders of magnitude, are compared with theoretical predictions; the two agree in most cases within 20%.Comment: 9 pages, 8 figure

Flat histogram simulation of lattice polymer systems

We demonstrate the use of a new algorithm called the Flat Histogram sampling algorithm for the simulation of lattice polymer systems. Thermodynamics properties, such as average energy or entropy and other physical quantities such as end-to-end distance or radius of gyration can be easily calculated using this method. Ground-state energy can also be determined. We also explore the accuracy and limitations of this method. Key words: Monte Carlo algorithms, flat histogram sampling, HP model, lattice polymer systemsComment: 7 RevTeX two-column page

Simulation of Potts models with real q and no critical slowing down

A Monte Carlo algorithm is proposed to simulate ferromagnetic q-state Potts model for any real q>0. A single update is a random sequence of disordering and deterministic moves, one for each link of the lattice. A disordering move attributes a random value to the link, regardless of the state of the system, while in a deterministic move this value is a state function. The relative frequency of these moves depends on the two parameters q and beta. The algorithm is not affected by critical slowing down and the dynamical critical exponent z is exactly vanishing. We simulate in this way a 3D Potts model in the range 2<q<3 for estimating the critical value q_c where the thermal transition changes from second-order to first-order, and find q_c=2.620(5).Comment: 5 pages, 3 figures slightly extended version, to appear in Phys. Rev.

Histogram Monte Carlo study of next-nearest-neighbor Ising antiferromagnet on a stacked triangular lattice

Critical properties of the Ising model on a stacked triangular lattice, with antiferromagnetic first and second-neighbor in-plane interactions, are studied by extensive histogram Monte Carlo simulations. The results, in conjunction with the recently determined phase diagram, strongly suggest that the transition from the period-3 ordered state to the paramagnetic phase remains in the xy universality class. This conclusion is in contrast with a previous suggestion of mean-field tricritical behavior.Comment: 13 pages (RevTex 3.0), 10 figures available upon request, CRPS-93-0

Magnetic-Field Induced First-Order Transition in the Frustrated XY Model on a Stacked Triangular Lattice

The results of extensive Monte Carlo simulations of magnetic-field induced transitions in the xy model on a stacked triangular lattice with antiferromagnetic intraplane and ferromagnetic interplane interactions are discussed. A low-field transition from the paramagnetic to a 3-state (Potts) phase is found to be very weakly first order with behavior suggesting tricriticality at zero field. In addition to clarifying some long-standing ambiguity concerning the nature of this Potts-like transition, the present work also serves to further our understanding of the critical behavior at $T_N$, about which there has been much controversy.Comment: 10 pages (RevTex 3.0), 4 figures available upon request, CRPS-93-0

Critical behavior of the planar magnet model in three dimensions

We use a hybrid Monte Carlo algorithm in which a single-cluster update is combined with the over-relaxation and Metropolis spin re-orientation algorithm. Periodic boundary conditions were applied in all directions. We have calculated the fourth-order cumulant in finite size lattices using the single-histogram re-weighting method. Using finite-size scaling theory, we obtained the critical temperature which is very different from that of the usual XY model. At the critical temperature, we calculated the susceptibility and the magnetization on lattices of size up to $42^3$. Using finite-size scaling theory we accurately determine the critical exponents of the model and find that $\nu$=0.670(7), $\gamma/\nu$=1.9696(37), and $\beta/\nu$=0.515(2). Thus, we conclude that the model belongs to the same universality class with the XY model, as expected.Comment: 11 pages, 5 figure