Tsallis statistics generalization of non-equilibrium work relations

We use third constraint formulation of Tsallis statistics and derive the $q$-statistics generalization of non-equilibrium work relations such as the Jarzynski equality and the Crooks fluctuation theorem which relate the free energy differences between two equilibrium states and the work distribution of the non-equilibrium processes.Comment: 5 page

Convective instabilities in two superposed horizontal liquid layers heated laterally

This work is devoted to the theoretical study of the stability of two superposed horizontal liquid layers bounded by two solid planes and subjected to a horizontal temperature gradient. The liquids are supposed to be immiscible with a nondeformable interface. The forces acting on the system are buoyancy and interfacial tension. Four different flow patterns and temperature profiles are found for the basic state. A linear perturbative analysis with respect to two and three dimensional perturbations reveals the existence of three kind of patterns. Depending on the relative height of both liquids several situations are predicted: either wave propagation from cold to the hot regions, or waves propagating in the opposite direction or still stationary longitudinal rolls. The behavior of three different pairs of liquids which have been used in experiments on bilayers under vertical gradient by other authors have been examined. The instability mechanisms are discussed and a qualitative interpretation of the different behaviors exhibited by the system is provided. In some configurations it is possible to find a codimension-two point created by the interaction of two Hopf modes with different frequencies and wavenumbers. These results suggest to consider two liquid layers as an interesting prototype for the study of propagation and interaction of waves in the context of the B\'enard-Marangoni problem.Comment: 21 pages, 9 figures, 2 tables;accepted to be published in PR

Magnetoresistance Effects in SrFeO(3-x): Dependence on Phase Composition and Relation to Magnetic and Charge Order

Single crystals of iron(IV) rich oxides SrFeO(3-x) with controlled oxygen content have been studied by Moessbauer spectroscopy, magnetometry, magnetotransport measurements, Raman spectroscopy, and infrared ellipsometry in order to relate the large magnetoresistance (MR) effects in this system to phase composition, magnetic and charge order. It is shown that three different types of MR effects occur. In cubic SrFeO3 (x = 0) a large negative MR of 25% at 9 T is associated with a hitherto unknown 60 K magnetic transition and a subsequent drop in resistivity. The 60 K transition appears in addition to the onset of helical ordering at ~130 K. In crystals with vacancy-ordered tetragonal SrFeO(3-x) as majority phase (x ~0.15) a coincident charge/antiferromagnetic ordering transition near 70 K gives rise to a negative giant MR effect of 90% at 9 T. A positive MR effect is observed in tetragonal and orthorhombic materials with increased oxygen deficiency (x = 0.19, 0.23) which are insulating at low temperatures. Phase mixtures can result in a complex superposition of these different MR phenomena. The MR effects in SrFeO(3-x) differ from those in manganites as no ferromagnetic states are involved

Influence of surfactants on the structure of titanium oxide gels : experiments and simulations

We report here on experimental and numerical studies of the influence of surfactants on mineral gel synthesis. The modification of the gel structure when the ratios water-precursor and water-surfactant vary is brought to the fore by fractal dimension measures. A property of {\em polydispersity of the initial hydrolysis} is proposed to explain these results, and is successfuly tested through numerical experiments of three dimensional chemically limited aggregation.Comment: 12 pages, 4 Postscript figures, uses RevTe

On the use of an appropriate TdT-mediated dUTP-biotin nick end labeling assay to identify apoptotic cells.

Apoptosis is an essential cellular mechanism involved in many processes such as embryogenesis, metamorphosis, and tissue homeostasis. DNA fragmentation is one of the key markers of this form of cell death. DNA fragmentation is executed by endogenous endonucleases such as caspase-activated DNase (CAD) in caspase-dependent apoptosis. The TUNEL (TdT-mediated dUTP-biotin nick end labeling) technique is the most widely used method to identify apoptotic cells in a tissue or culture and to assess drug toxicity. It is based on the detection of 3'-OH termini that are labeled with dUTP by the terminal deoxynucleotidyl transferase. Although the test is very reliable and sensitive in caspase-dependent apoptosis, it is completely useless when cell death is mediated by pathways involving DNA degradation that generates 3'-P ends as in the LEI/L-DNase II pathway. Here, we propose a modification in the TUNEL protocol consisting of a dephosphorylation step prior to the TUNEL labeling. This allows the detection of both types of DNA breaks induced during apoptosis caspase-dependent and independent pathways, avoiding underestimating the cell death induced by the treatment of interest

Thermodynamic Field Theory with the Iso-Entropic Formalism

A new formulation of the thermodynamic field theory (TFT) is presented. In this new version, one of the basic restriction in the old theory, namely a closed-form solution for the thermodynamic field strength, has been removed. In addition, the general covariance principle is replaced by Prigogine's thermodynamic covariance principle (TCP). The introduction of TCP required the application of an appropriate mathematical formalism, which has been referred to as the iso-entropic formalism. The validity of the Glansdorff-Prigogine Universal Criterion of Evolution, via geometrical arguments, is proven. A new set of thermodynamic field equations, able to determine the nonlinear corrections to the linear ("Onsager") transport coefficients, is also derived. The geometry of the thermodynamic space is non-Riemannian tending to be Riemannian for hight values of the entropy production. In this limit, we obtain again the same thermodynamic field equations found by the old theory. Applications of the theory, such as transport in magnetically confined plasmas, materials submitted to temperature and electric potential gradients or to unimolecular triangular chemical reactions can be found at references cited herein.Comment: 35 page

Universal Static and Dynamic Properties of the Structural Transition in Pb(Zn1/3Nb2/3)O3

The relaxors Pb(Zn$_{1/3}$Nb$_{2/3}$)O$_{3}$ (PZN) and Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$ (PMN) have very similar properties based on the dielectric response around the critical temperature $T_{c}$ (defined by the structural transition under the application of an electric field). It has been widely believed that these materials are quite different below $T_{c}$ with the unit cell of PMN remaining cubic while in PZN the low temperature unit cell is rhombohedral in shape. However, this has been clarified by recent high-energy x-ray studies which have shown that PZN is rhombohedral only in the skin while the shape of the unit cell in the bulk is nearly cubic. In this study we have performed both neutron elastic and inelastic scattering to show that the temperature dependence of both the diffuse and phonon scattering in PZN and PMN is very similar. Both compounds show a nearly identical recovery of the soft optic mode and a broadening of the acoustic mode below $T_{c}$. The diffuse scattering in PZN is suggestive of an onset at the high temperature Burns temperature similar to that in PMN. In contrast to PMN, we observe a broadening of the Bragg peaks in both the longitudinal and transverse directions below $T_{c}$. We reconcile this additional broadening, not observed in PMN, in terms of structural inhomogeneity in PZN. Based on the strong similarities between PMN and PZN, we suggest that both materials belong to the same universality class and discuss the relaxor transition in terms of the three-dimensional Heisenberg model with cubic anisotropy in a random field.Comment: 11 pages, 10 figures. Updated version after helpful referee comment

Dynamics of the rotational degrees of freedom in a supercooled liquid of diatomic molecules

Using molecular dynamics computer simulations, we investigate the dynamics of the rotational degrees of freedom in a supercooled system composed of rigid, diatomic molecules. The interaction between the molecules is given by the sum of interaction-site potentials of the Lennard-Jones type. In agreement with mode-coupling theory (MCT), we find that the relaxation times of the orientational time correlation functions C_1^(s), C_2^(s) and C_1 show at low temperatures a power-law with the same critical temperature T_c, and which is also identical to the critical temperature for the translational degrees of freedom. In contrast to MCT we find, however, that for these correlators the time-temperature superposition principle does not hold well and that also the critical exponent gamma depends on the correlator. We also study the temperature dependence of the rotational diffusion constant D_r and demonstrate that at high temperatures D_r is proportional to the translational diffusion constant D and that when the system starts to become supercooled the former shows an Arrhenius behavior whereas the latter exhibits a power-law dependence. We discuss the origin for the difference in the temperature dependence of D (or the relaxation times of C_l^(s) and D_r. Finally we present results which show that at low temperatures 180 degree flips of the molecule are an important component of the relaxation dynamics for the orientational degrees of freedom.Comment: 17 pages of RevTex, 12 figure

Experimental and calculated circular dichroism spectra of monoaza[5]helicenes

Circular dichroism (CD) spectra have been measured in the range of 400–200 nm on CH3OH solutions of both enantiomers for the almost complete series of monoaza[5]helicenes, namely the molecules where the hetero N atom occupies positions 1, 3, 4, 5, 6, and 7, respectively (the 2 isomer is missing due to difficulties in the synthesis). CD spectra recorded at controlled room temperature allow one to define precise racemization rates, that are nicely interpreted on the basis of DFT molecular orbital calculations. Time-dependent DFT methods provide us with calculated CD and UV spectra, that are compared with the corresponding experimental data. We discuss the role of the N atom in determining the height of the racemization barrier and in shaping the appearance of the CD spectra

A Universal Phase Diagram for PMN-xPT and PZN-xPT

The phase diagram of the Pb(Mg1/3Nb2/3)O3 and PbTiO3 solid solution (PMN-xPT) indicates a rhombohedral ground state for x < 0.32. X-ray powder measurements by Dkhil et al. show a rhombohedrally split (222) Bragg peak for PMN-10%PT at 80 K. Remarkably, neutron data taken on a single crystal of the same compound with comparable q-resolution reveal a single resolution-limited (111) peak down to 50 K, and thus no rhombohedral distortion. Our results suggest that the structure of the outer layer of these relaxors differs from that of the bulk, which is nearly cubic, as observed in PZN by Xu et al.Comment: Replaced Fig. 3 with better versio