Dynamics of relaxor ferroelectrics

We study a dynamic model of relaxor ferroelectrics based on the spherical random-bond---random-field model and the Langevin equations of motion. The solution to these equations is obtained in the long-time limit where the system reaches an equilibrium state in the presence of random local electric fields. The complex dynamic linear and third-order nonlinear susceptibilities $\chi_1(\omega)$ and $\chi_3(\omega)$, respectively, are calculated as functions of frequency and temperature. In analogy with the static case, the dynamic model predicts a narrow frequency dependent peak in $\chi_3(T,\omega)$, which mimics a transition into a glass-like state.Comment: 15 pages, Revtex plus 5 eps figure

Pyridazines. LXII. Tetrazolo-Azido Equilibria of Tetrazolo[1,5-b ]pyridazines

Tetrazolo[l,5-b]pyridazines exist in solution exclusively in the tetrazolo form. In solutions of strong acids an equilibrium of both forms, azido and tetrazolo, is established. The equilibrium constants in concentrated sulfuric acid or in trifluoromethanesulfonic acid were determined

Pyridazines. LXII. Tetrazolo-Azido Equilibria of Tetrazolo[1,5-b ]pyridazines

Tetrazolo[l,5-b]pyridazines exist in solution exclusively in the tetrazolo form. In solutions of strong acids an equilibrium of both forms, azido and tetrazolo, is established. The equilibrium constants in concentrated sulfuric acid or in trifluoromethanesulfonic acid were determined

Dynamics of relaxor ferroelectrics

We study a dynamic model of relaxor ferroelectrics based on the spherical random-bond---random-field model and the Langevin equations of motion. The solution to these equations is obtained in the long-time limit where the system reaches an equilibrium state in the presence of random local electric fields. The complex dynamic linear and third-order nonlinear susceptibilities $\chi_1(\omega)$ and $\chi_3(\omega)$, respectively, are calculated as functions of frequency and temperature. In analogy with the static case, the dynamic model predicts a narrow frequency dependent peak in $\chi_3(T,\omega)$, which mimics a transition into a glass-like state.Comment: 15 pages, Revtex plus 5 eps figure

Random Field Models for Relaxor Ferroelectric Behavior

Heat bath Monte Carlo simulations have been used to study a four-state clock model with a type of random field on simple cubic lattices. The model has the standard nonrandom two-spin exchange term with coupling energy $J$ and a random field which consists of adding an energy $D$ to one of the four spin states, chosen randomly at each site. This Ashkin-Teller-like model does not separate; the two random-field Ising model components are coupled. When $D / J = 3$, the ground states of the model remain fully aligned. When $D / J \ge 4$, a different type of ground state is found, in which the occupation of two of the four spin states is close to 50%, and the other two are nearly absent. This means that one of the Ising components is almost completely ordered, while the other one has only short-range correlations. A large peak in the structure factor $S (k)$ appears at small $k$ for temperatures well above the transition to long-range order, and the appearance of this peak is associated with slow, "glassy" dynamics. The phase transition into the state where one Ising component is long-range ordered appears to be first order, but the latent heat is very small.Comment: 7 pages + 12 eps figures, to appear in Phys Rev

Molecular basis for functional diversity among microbial Nep1-like proteins

Necrosis and ethylene-inducing peptide 1 (Nep1)-like proteins (NLPs) are secreted by several phytopathogenic microorganisms. They trigger necrosis in various eudicot plants upon binding to plant sphingolipid glycosylinositol phosphorylceramides (GIPC). Interestingly, HaNLP3 from the obligate biotroph oomycete Hyaloperonospora arabidopsidis does not induce necrosis. We determined the crystal structure of HaNLP3 and showed that it adopts the NLP fold. However, the conformations of the loops surrounding the GIPC headgroup-binding cavity differ from those of cytotoxic Pythium aphanidermatum NLPPya. Essential dynamics extracted from \u3bcs-long molecular dynamics (MD) simulations reveals a limited conformational plasticity of the GIPC-binding cavity in HaNLP3 relative to toxic NLPs. This likely precludes HaNLP3 binding to GIPCs, which is the underlying reason for the lack of toxicity. This study reveals that mutations at key protein regions cause a switch between nontoxic and toxic phenotypes within the same protein scaffold. Altogether, these data provide evidence that protein flexibility is a distinguishing trait of toxic NLPs and highlight structural determinants for a potential functional diversification of non-toxic NLPs utilized by biotrophic plant pathogens

Tricritical Points in the Sherrington-Kirkpatrick Model in the Presence of Discrete Random Fields

The infinite-range-interaction Ising spin glass is considered in the presence of an external random magnetic field following a trimodal (three-peak) distribution. The model is studied through the replica method and phase diagrams are obtained within the replica-symmetry approximation. It is shown that the border of the ferromagnetic phase may present first-order phase transitions, as well as tricritical points at finite temperatures. Analogous to what happens for the Ising ferromagnet under a trimodal random field, it is verified that the first-order phase transitions are directly related to the dilution in the fields (represented by $p_{0}$). The ferromagnetic boundary at zero temperature also exhibits an interesting behavior: for $0<p_{0}<p_{0}^{*} \approx 0.30856$, a single tricritical point occurs, whereas if $p_{0}>p_{0}^{*}$ the critical frontier is completely continuous; however, for $p_{0}=p_{0}^{*}$, a fourth-order critical point appears. The stability analysis of the replica-symmetric solution is performed and the regions of validity of such a solution are identified; in particular, the Almeida-Thouless line in the plane field versus temperature is shown to depend on the weight $p_{0}$.Comment: 23pages, 7 ps figure

Time reparametrization group and the long time behaviour in quantum glassy systems

We study the long time dynamics of a quantum version of the Sherrington-Kirkpatrick model. Time reparametrizations of the dynamical equations have a parallel with renormalization group transformations, and within this language the long time behaviour of this model is controlled by a reparametrization group (R$_p$G) fixed point of the classical dynamics. The irrelevance of the quantum terms in the dynamical equations in the aging regime explains the classical nature of the violation of the fluctuation-dissipation theorem.Comment: 4 page

Out of equilibrium dynamics of a Quantum Heisenberg Spin Glass

We study the out of equilibrium dynamics of the infinite range quantum Heisenberg spin glass model coupled to a thermal relaxation bath. The SU(2) spin algebra is generalized to SU(N) and we analyse the large-N limit. The model displays a dynamical phase transition between a paramagnetic and a glassy phase. In the latter, the system remains out of equilibrium and displays an aging phenomenon, which we characterize using both analytical and numerical methods. In the aging regime, the quantum fluctuation-dissipation relation is violated and replaced at very long time by its classical generalization, as in models involving simple spin algebras studied previously. We also discuss the effect of a finite coupling to the relaxation baths and their possible forms. This work completes and justifies previous studies on this model using a static approach.Comment: Minor change