Critical Behavior of the Random Potts Chain

We study the critical behavior of the random q-state Potts quantum chain by density matrix renormalization techniques. Critical exponents are calculated by scaling analysis of finite lattice data of short chains ($L \leq 16$) averaging over all possible realizations of disorder configurations chosen according to a binary distribution. Our numerical results show that the critical properties of the model are independent of q in agreement with a renormalization group analysis of Senthil and Majumdar (Phys. Rev. Lett.{\bf 76}, 3001 (1996)). We show how an accurate analysis of moments of the distribution of magnetizations allows a precise determination of critical exponents, circumventing some problems related to binary disorder. Multiscaling properties of the model and dynamical correlation functions are also investigated.Comment: LaTeX2e file with Revtex, 9 pages, 8 eps figures, 4 tables; typos correcte

Relaxational dynamics in 3D randomly diluted Ising models

We study the purely relaxational dynamics (model A) at criticality in three-dimensional disordered Ising systems whose static critical behaviour belongs to the randomly diluted Ising universality class. We consider the site-diluted and bond-diluted Ising models, and the +- J Ising model along the paramagnetic-ferromagnetic transition line. We perform Monte Carlo simulations at the critical point using the Metropolis algorithm and study the dynamic behaviour in equilibrium at various values of the disorder parameter. The results provide a robust evidence of the existence of a unique model-A dynamic universality class which describes the relaxational critical dynamics in all considered models. In particular, the analysis of the size-dependence of suitably defined autocorrelation times at the critical point provides the estimate z=2.35(2) for the universal dynamic critical exponent. We also study the off-equilibrium relaxational dynamics following a quench from T=\infty to T=T_c. In agreement with the field-theory scenario, the analysis of the off-equilibrium dynamic critical behavior gives an estimate of z that is perfectly consistent with the equilibrium estimate z=2.35(2).Comment: 38 page

On the universality of the fluctuation-dissipation ratio in non-equilibrium critical dynamics

The two-time nonequilibrium correlation and response functions in 1D kinetic classical spin systems with non-conserved dynamics and quenched to their zero-temperature critical point are studied. The exact solution of the kinetic Ising model with Glauber dynamics for a wide class of initial states allows for an explicit test of the universality of the non-equilibrium limit fluctuation-dissipation ratio X_{\infty}. It is shown that the value of X_{\infty} depends on whether the initial state has finitely many domain walls or not and thus two distinct dynamic universality classes can be identified in this model. Generic 1D kinetic spin systems with non-conserved dynamics fall into the same universality classes as the kinetic Glauber-Ising model provided the dynamics is invariant under the C-symmetry of simultaneous spin and magnetic-field reversal. While C-symmetry is satisfied for magnetic systems, it need not be for lattice gases which may therefore display hitherto unexplored types of non-universal kinetics

On the definition of a unique effective temperature for non-equilibrium critical systems

We consider the problem of the definition of an effective temperature via the long-time limit of the fluctuation-dissipation ratio (FDR) after a quench from the disordered state to the critical point of an O(N) model with dissipative dynamics. The scaling forms of the response and correlation functions of a generic observable are derived from the solutions of the corresponding Renormalization Group equations. We show that within the Gaussian approximation all the local observables have the same FDR, allowing for a definition of a unique effective temperature. This is no longer the case when fluctuations are taken into account beyond that approximation, as shown by a computation up to the first order in the epsilon-expansion for two quadratic observables. This implies that, contrarily to what often conjectured, a unique effective temperature can not be defined for this class of models.Comment: 32 pages, 5 figures. Minor changes, published versio

Universality class of 3D site-diluted and bond-diluted Ising systems

We present a finite-size scaling analysis of high-statistics Monte Carlo simulations of the three-dimensional randomly site-diluted and bond-diluted Ising model. The critical behavior of these systems is affected by slowly-decaying scaling corrections which make the accurate determination of their universal asymptotic behavior quite hard, requiring an effective control of the scaling corrections. For this purpose we exploit improved Hamiltonians, for which the leading scaling corrections are suppressed for any thermodynamic quantity, and improved observables, for which the leading scaling corrections are suppressed for any model belonging to the same universality class. The results of the finite-size scaling analysis provide strong numerical evidence that phase transitions in three-dimensional randomly site-diluted and bond-diluted Ising models belong to the same randomly dilute Ising universality class. We obtain accurate estimates of the critical exponents, $\nu=0.683(2)$, $\eta=0.036(1)$, $\alpha=-0.049(6)$, $\gamma=1.341(4)$, $\beta=0.354(1)$, $\delta=4.792(6)$, and of the leading and next-to-leading correction-to-scaling exponents, $\omega=0.33(3)$ and $\omega_2=0.82(8)$.Comment: 45 pages, 22 figs, revised estimate of n

Aperiodicity-Induced Second-Order Phase Transition in the 8-State Potts Model

We investigate the critical behavior of the two-dimensional 8-state Potts model with an aperiodic distribution of the exchange interactions between nearest-neighbor rows. The model is studied numerically through intensive Monte Carlo simulations using the Swendsen-Wang cluster algorithm. The transition point is located through duality relations, and the critical behavior is investigated using FSS techniques at criticality. For strong enough fluctuations of the aperiodic sequence under consideration, a second order phase transition is found. The exponents $\beta/\nu$ and $\gamma /\nu$ are obtained at the new fixed point.Comment: LaTeX file with Revtex, 4 pages, 5 eps figures, to appear in Phys. Rev. Let

7-Substituted 2-Nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazines: Novel Antitubercular Agents Lead to a New Preclinical Candidate for Visceral Leishmaniasis.

Within a backup program for the clinical investigational agent pretomanid (PA-824), scaffold hopping from delamanid inspired the discovery of a novel class of potent antitubercular agents that unexpectedly possessed notable utility against the kinetoplastid disease visceral leishmaniasis (VL). Following the identification of delamanid analogue DNDI-VL-2098 as a VL preclinical candidate, this structurally related 7-substituted 2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine class was further explored, seeking efficacious backup compounds with improved solubility and safety. Commencing with a biphenyl lead, bioisosteres formed by replacing one phenyl by pyridine or pyrimidine showed improved solubility and potency, whereas more hydrophilic side chains reduced VL activity. In a Leishmania donovani mouse model, two racemic phenylpyridines (71 and 93) were superior, with the former providing >99% inhibition at 12.5 mg/kg (b.i.d., orally) in the Leishmania infantum hamster model. Overall, the 7R enantiomer of 71 (79) displayed more optimal efficacy, pharmacokinetics, and safety, leading to its selection as the preferred development candidate

Magnetic critical behavior of two-dimensional random-bond Potts ferromagnets in confined geometries

We present a numerical study of 2D random-bond Potts ferromagnets. The model is studied both below and above the critical value $Q_c=4$ which discriminates between second and first-order transitions in the pure system. Two geometries are considered, namely cylinders and square-shaped systems, and the critical behavior is investigated through conformal invariance techniques which were recently shown to be valid, even in the randomness-induced second-order phase transition regime Q>4. In the cylinder geometry, connectivity transfer matrix calculations provide a simple test to find the range of disorder amplitudes which is characteristic of the disordered fixed point. The scaling dimensions then follow from the exponential decay of correlations along the strip. Monte Carlo simulations of spin systems on the other hand are generally performed on systems of rectangular shape on the square lattice, but the data are then perturbed by strong surface effects. The conformal mapping of a semi-infinite system inside a square enables us to take into account boundary effects explicitly and leads to an accurate determination of the scaling dimensions. The techniques are applied to different values of Q in the range 3-64.Comment: LaTeX2e file with Revtex, revised versio

Fluctuation relations in non-equilibrium stationary states of Ising models

Fluctuation relations for the entropy production in non equilibrium stationary states of Ising models are investigated by Monte Carlo simulations. Systems in contact with heat baths at two different temperatures or subject to external driving will be studied. In the first case, by considering different kinetic rules and couplings with the baths, the behavior of the probability distributions of the heat exchanged in a time $\tau$ with the thermostats, both in the disordered and in the low temperature phase, are discussed. The fluctuation relation is always verified in the large $\tau$ limit and deviations from linear response theory are observed. Finite-$\tau$ corrections are shown to obey a scaling behavior. In the other case the system is in contact with a single heat bath but work is done by shearing it. Also for this system the statistics collected for the mechanical work shows the validity of the fluctuation relation and preasymptotic corrections behave analogously to the case with two baths.Comment: 9 figure