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Order Parameter (order + parameter)
Selected AbstractsMolecular dynamics simulation of the hydrocarbon region of a biomembrane using a reduced representation modelJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 14 2001Lewis Whitehead Abstract The development of a coarse-grained reduced-representation model of the hydrocarbon region of a biological membrane is reported. The potential is based on the popular Gay,Berne model of liquid crystals, and involves the linking of individual Gay,Berne ellipsoids by harmonic springs to form each hydrocarbon chain. Diffusion coefficients and order parameters have been calculated by molecular dynamics computer simulations for a range of parameter sets. The results clearly demonstrate the presence of a phase transition from an ordered low-temperature solid phase reminiscent of the L,, phase of phospholipids, to a high-temperature disordered phase reminiscent of the L, phase. Order parameters calculated for each layer of the model are consistent with the experimental segmental order parameters reported for dipalmitoyl phosphatidylcholine. The application of this model to the study of small molecule diffusion within the membrane core is proposed. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 1622,1633, 2001 [source] Rheological characteristics of solid,fluid transition in dry granular dense flows: A thermodynamically consistent constitutive model with a pressure-ratio order parameterINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 9 2010Chung Fang Abstract Dry granular flows are characterized as quasi-static, dense and collisional states by the interactions among the grains, which is indexed macroscopically by an internal variable, called the order parameter defined as the square root of the static pressure to the total pressure. The solid,fluid state transition is regarded as a second-order phase transition process, and is described by a kinematic evolution of the order parameter. The thermodynamic analysis, based on the Müller,Liu entropy principle, is employed to deduce the equilibrium responses of the constitutive equations, while the dynamic responses are postulated on the basis of a quasi-linear and the second-order Ginzburg,Landau phase transition theories. The obtained model is applied to study the rheological characteristics of a dry granular dense flow between two infinite parallel plates, of which the results are compared with those from DEM simulations to estimate the model validity. The present study provides a general framework for the theoretical justifications on the thermodynamic consistencies of order-parameter-based constitutive models, and can be extended to flows in quasi-static or collisional states. Copyright © 2009 John Wiley & Sons, Ltd. [source] Theoretical study on quantum dynamics of bose system interacting with photon fieldINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 4 2001Hidemi Nagao Abstract We investigate the quantum dynamics of two-boson and two-level systems interacting with a one-mode photon field. The time evolution of the population for each state is calculated in terms of the Jaynes,Cummings model. We find the collapses and revivals of the order parameter for the Bose,Einstein condensation. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem 84: 401,408, 2001 [source] Parametric Rietveld refinement for the evaluation of powder diffraction patterns collected as a function of pressureJOURNAL OF APPLIED CRYSTALLOGRAPHY, Issue 3 2010Ivan Halasz Under the assumption that the structural parameters of a crystalline phase change `smoothly' with increasing pressure, the evolution of the parameters can be parameterized as a function of pressure using continuous monotonic functions. Four different approaches to determine the structural evolution of As2O5 with increasing pressure from a set of powder diffraction patterns collected over the pressure range from 2.5 to 19.5,GPa have been investigated. Approach (A) was the common sequential refinement of atomic coordinates with restraints on the geometry and was compared with three parameterization approaches. Approach (B) used direct parameterization by low-order polynomials of each crystallographically distinct atomic coordinate, (C) described the atoms of the asymmetric unit as a rigid body and allowed the internal degrees of freedom of the rigid body to vary with the change in pressure using rigid unit modes, and (D) described the crystal structure as a distortion of the higher-symmetry structure of As2O5 (which is here also a high-temperature phase) by using symmetry-adapted distortion modes. Approach (D) offers the possibility to directly introduce an order parameter into Rietveld refinement through an empirical power law derived from Landau theory and thus to obtain the value of the critical exponent. In contrast, the rigid-body approach did not fit the data as well. All parameterizations greatly reduce the number of required parameters. [source] Structure and Dielectric Properties of Pb(Sc2/3W1/3)O3,Pb(Zr/Ti)O3 RelaxorsJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 11 2004Pavol Juhás The structure and dielectric properties of (1,x)Pb(Sc2/3W1/3)O3,(x)Pb(Zr/Ti)O3 ceramics have been investigated over a full substitution range. All compositions with x < 0.5 adopt a cubic perovskite structure; however, for x, 0.25 a doubled cell results from a 1:1 ordered distribution of the B-site cations. The structural order in Pb(Sc2/3W1/3)O3 (PSW) can be described by a random-site model with one cation site occupied by Sc3+ and the other by a random distribution of (Sc1/33+W2/36+). The ordering is destabilized in solid solutions of PSW with PbZrO3 (PSW,PZ), but stabilized by PbTiO3 in the (1,x)PSW,(x)PT system. The changes in order are accompanied by alterations in the dielectric response of the two systems. For PSW,PZ the temperature of the permittivity maximum (T,,max) increases linearly with x; however, for PSW,PT T,,max decreases in the ordered region (up to x= 0.25) and then increases rapidly as the order is lost. Similar effects were produced by modifying the degree of order of (0.75)PSW,(0.25)PT; when the order parameter was reduced from ,1.0 to ,0.65, T,,max increased by more than 60°C. [source] Synergistic Ordering of Side-Group Liquid Crystal Polymer and Small Molecule Liquid Crystal: Order and Phase Behavior of Nematic Polymer Solutions,MACROMOLECULAR CHEMISTRY AND PHYSICS, Issue 19-20 2007Neal R. Scruggs Abstract Addition of a small-molecule liquid crystal (5CB) to a cyanobiphenyl-based side-group liquid crystal polymer (SGLCP) stabilizes nematic order, increasing the isotropization temperature (TNI) more than 15,°C. Despite synergistic ordering at high concentration, small amounts of polymer destabilize nematic order. Even though TNI(SGLCP) is 27,°C greater than TNI(5CB), 2H NMR shows that the order parameter of the SGLCP is less than that of 5CB at concentrations for which monodomains were accessible (,10 wt.-%). The results imply that nematic order is frustrated in the bulk polymer and addition of small molecule LC relaxes this frustration by allowing greater configurational freedom. Conversely, adding small amounts of polymer to the bulk 5CB introduces frustration, resulting in the strong asymmetry of the phase diagram. [source] Investigation of Soft Component Mobility in Thermoplastic Elastomers using Homo- and Heteronuclear Dipolar Filtered 1H Double Quantum NMR ExperimentsMACROMOLECULAR CHEMISTRY AND PHYSICS, Issue 1 2004Marko Bertmer Abstract Summary: Information about segmental mobility in thermoplastic elastomers was obtained using static 1H double quantum (DQ) NMR experiments in combination with homo- and heteronuclear dipolar filters, e.g. 13C editing of 1H DQ buildup curves. Block copolymers of poly(butylene terephthalate) (PBT) as hard blocks and poly(tetramethylene oxide) (PTMO) as soft blocks (PBT- block -PTMO) were investigated by varying composition and block length. By simulation of the DQ buildup curves, residual dipolar couplings and with this the average order parameter were deduced for the mobile PTMO blocks which are sensitive to the segmental mobility responsible for the viscoelastic properties of thermoplastic elastomers. A strong correlation exists between residual dipolar coupling and composition. Furthermore, the average order parameter correlates linearly with the amount of PTMO in a PTMO-rich phase as determined in previous studies. Additionally, 1H transverse magnetization relaxation measurements revealed a direct correlation between the effective T2 relaxation time of the soft domain and the composition of the thermoplastic elastomers. Correlation of the average order parameter vs. the fraction of PTMO in the PTMO-rich phase. [source] Critical behavior of KDCO3 from 2H and 39K single crystal NMRMAGNETIC RESONANCE IN CHEMISTRY, Issue 1 2008Christophe Odin Abstract Potassium hydrogenocarbonate KDCO3 presents an order/disorder phase transition at Tc, 353 K. The critical behavior of this phase transition was studied by single crystal 2H and 39K NMR. The evolution of the order parameter as a function of temperature is quantified, and the critical exponent was determined, indicating a transition close to a tricritical point. The 2H Zeeman relaxation rate is strongly increased near the transition temperature. By calculating the noncritical contribution to the Zeeman relaxation rate, we show that the observed relaxation rate clearly presents a pseudo-divergent behavior near Tc, with a logarithmic singularity. The nature of the phase transition is discussed in the light of these results. Copyright © 2007 John Wiley & Sons, Ltd. [source] Stability of global and exponential attractors for a three-dimensional conserved phase-field system with memoryMATHEMATICAL METHODS IN THE APPLIED SCIENCES, Issue 18 2009Gianluca Mola Abstract We consider a conserved phase-field system on a tri-dimensional bounded domain. The heat conduction is characterized by memory effects depending on the past history of the (relative) temperature ,, which is represented through a convolution integral whose relaxation kernel k is a summable and decreasing function. Therefore, the system consists of a linear integrodifferential equation for ,, which is coupled with a viscous Cahn,Hilliard type equation governing the order parameter ,. The latter equation contains a nonmonotone nonlinearity , and the viscosity effects are taken into account by a term ,,,,t,, for some ,,0. Rescaling the kernel k with a relaxation time ,>0, we formulate a Cauchy,Neumann problem depending on , and ,. Assuming a suitable decay of k, we prove the existence of a family of exponential attractors {,,,,} for our problem, whose basin of attraction can be extended to the whole phase,space in the viscous case (i.e. when ,>0). Moreover, we prove that the symmetric Hausdorff distance of ,,,, from a proper lifting of ,,,0 tends to 0 in an explicitly controlled way, for any fixed ,,0. In addition, the upper semicontinuity of the family of global attractors {,,,,,} as ,,0 is achieved for any fixed ,>0. Copyright © 2009 John Wiley & Sons, Ltd. [source] Well-posedness and long time behavior of a parabolic-hyperbolic phase-field system with singular potentialsMATHEMATISCHE NACHRICHTEN, Issue 13-14 2007Maurizio Grasselli Abstract In this article, we study the long time behavior of a parabolic-hyperbolic system arising from the theory of phase transitions. This system consists of a parabolic equation governing the (relative) temperature which is nonlinearly coupled with a weakly damped semilinear hyperbolic equation ruling the evolution of the order parameter. The latter is a singular perturbation through an inertial term of the parabolic Allen,Cahn equation and it is characterized by the presence of a singular potential, e.g., of logarithmic type, instead of the classical double-well potential. We first prove the existence and uniqueness of strong solutions when the inertial coefficient , is small enough. Then, we construct a robust family of exponential attractors (as , goes to 0). (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Mixed singlet-triplet superconducting state in doped antiferromagnetsPHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 2 2006A. Maci¸ag Abstract We analyze symmetry mixing in the superconducting (SC) order parameter of planar cuprates. The behavior of thermal conductivity observed in some systems doped with magnetic impurities or in some systems exposed to external magnetic field seems to indicate that such symmetry mixing takes place. We discuss this phenomenon in the framework of the spin polaron model (SPM). We assume that antiferromagnetic (AF) correlations, which are at least of short range, tend to confine motion of holes which have been created in the AF spin background. The nature of the propagation of quasiparticles which are hole-like and the nature of the interaction between quasiparticles is determined by a tendency to restore the local AF order. It is known that two holes in the t ,J model (tJ M) form bound states with dx 2,y2 or p-wave symmetry. The d-wave bound state has lower energy and is the ground state. The mixing of d-wave symmetry with p-wave symmetry takes place in the SC order parameter at some range of finite values of the doping parameter. That range lies at the applicability verge of the SPM, where AF correlation are already very short. On the other hand, these correlations may be strengthened by above mentioned external factors, which seems to explain why symmetry mixing is observed in this case. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Thermodynamic properties of the Ising and Heisenberg S = 1 ferromagnet with biquadratic exchange and uniaxial anisotropyPHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 2 2006M. Manojlovi Abstract We study the thermodynamic properties of S = 1 Ising and Heisenberg ferromagnets with both bilinear and biquadratic exchange and/or uniaxial anisotropy of both easy axis/plane character. Using the mean-field (MF) approximation we evaluated the free energy enabling us to study in detail the behavior of the order parameters and the dependence of the critical point on the anisotropy. We show that in the presence of biquadratic interaction, there is a difference in the behavior between the Ising and the Heisenberg model even in the MF approximation, which is not the case for the bilinear interaction. Combining the equations of motion for Green's functions with identities particular to S = 1, we managed to perform the random phase approximation without the decoupling of the operators at the same site, avoiding the peculiarities of the Callen,Anderson decoupling. This allowed us to improve the phase diagram for the Heisenberg model. The important result is the demonstration of the effect of anisotropy to nonvanishing of the quadrupolar order parameter at the Curie point. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] The properties of the CDW phase in the weak coupling anharmonic Holstein,Hubbard modelPHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 1 2006P. GrzybowskiArticle first published online: 2 JAN 200 Abstract The anharmonic Holstein,Hubbard Hamiltonian in the case of weak effective electron,electron attraction is studied. To deal with anharmonicity of phonons, variational canonical transformations are used to derive an effective electron Hamiltonian. The properties of the charge density wave (CDW) phase, for half-filling, are analyzed using this effective Hamiltonian. In particular, the critical temperatures, gap function, order parameter and gap ratio are calculated. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Spin triplet superconductivity in Sr2RuO4PHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 2 2003Karol I. Wysoki Abstract Sr2RuO4 is at present the best candidate for being a superconducting analogue of the triplet superfluidity in 3He. This material is a good (albeit correlated) Fermi liquid in the normal state and an exotic superconductor below Tc. The mechanism of superconductivity and symmetry of the order parameter are the main puzzling issues of on-going research. Here we present the results of our search for a viable description of the superconducting state realised in this material. Our calculations are based on a three-dimensional effective three-band model with a realistic band structure. We have found a state with non-zero order parameter on each of the three sheets of the Fermi surface. The corresponding gap in the quasi-particle spectrum has line or point nodes on the , and , sheets and is complex with no nodes on the , sheet. This state describes remarkably well a number of existing experiments including power low temperature dependence of the specific heat, penetration depth, thermal conductivity etc. The stability of the state with respect to disorder and different interaction parameters are also analyzed briefly. [source] Theory of the cubic-tetragonal phase transition in PbTiO3PHYSICA STATUS SOLIDI (C) - CURRENT TOPICS IN SOLID STATE PHYSICS, Issue 9 2006Es-saïd El-frikhe Abstract The phase transition in PbTiO3 is discussed quantitatively from the microscopic free energy based upon the mean field approximation, where the Ti ions shift is considered as the order parameter in the lattice having the spontaneous deformation. From our calculation of the microscopic free energy, the ionic shift of the Ti ion and the coefficient of the expanded free energy, we concluded that the transition temperature and the order of cubic-tetragonal transition are well explained by this model. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Modelling of thin polymer filmsPROCEEDINGS IN APPLIED MATHEMATICS & MECHANICS, Issue 1 2005Michael Johlitz If we bond substrates like metal sheets by a thin polymer film we know about the existence of a boundary layer between the polymer and the substrate. The properties of this boundary layer differ from the bulk properties and influence the overall behavior of the bond. Here we present a mechanical theory based on a scalar-valued order parameter that allows us to describe these effects. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Dynamical characterization of residual and non-native structures in a partially folded protein by 15N NMR relaxation using a model based on a distribution of correlation timesPROTEIN SCIENCE, Issue 4 2002Françoise Ochsenbein Abstract A spectral density model based on a truncated lorentzian distribution of correlation times is used to analyze the nanosecond time-scale dynamics of the partially unfolded domain 2 of annexin I from its 15N NMR relaxation parameters measured at three magnetic field strengths. The use of a distribution of correlation times enables the characterization of the dynamical features of the NH bonds of the protein in terms of heterogeneity of dynamical states in the nanosecond range. The variation along the sequence of the two dynamical parameters introduced, namely the center and the width of the distribution, points out the different types of residual secondary structures present in the D2 domain. Moreover, it allows a physically sensible interpretation of the dynamical behavior of the different residual helices and of the non-native structures. Also, a striking correspondence is found between the parameters obtained using an extended Lipari and Szabo model and the parameters obtained using the distribution of correlation times. This result led us to propose a specific interpretation of the model-free order parameter for internal motions in the nanosecond range in the case of unfolded states. [source] Dynamics of the Hck-SH3 domain: Comparison of experiment with multiple molecular dynamics simulationsPROTEIN SCIENCE, Issue 1 2000David A. Horita Abstract Molecular dynamics calculations provide a method by which the dynamic properties of molecules can be explored over timescales and at a level of detail that cannot be obtained experimentally from NMR or X-ray analyses. Recent work (Philippopoulos M, Mandel AM, Palmer AG III, Lim C, 1997, Proteins 28:481,493) has indicated that the accuracy of these simulations is high, as measured by the correspondence of parameters extracted from these calculations to those determined through experimental means. Here, we investigate the dynamic behavior of the Src homology 3 (SH3) domain of hematopoietic cell kinase (Hck) via 15N backbone relaxation NMR studies and a set of four independent 4 ns solvated molecular dynamics calculations. We also find that molecular dynamics simulations accurately reproduce fast motion dynamics as estimated from generalized order parameter (S2) analysis for regions of the protein that have experimentally well-defined coordinates (i.e., stable secondary structural elements). However, for regions where the coordinates are not well defined, as indicated by high local root-mean-square deviations among NMR-determined structural family members or high B -factors/low electron density in X-ray crystallography determined structures, the parameters calculated from a short to moderate length (less than 5,10 ns) molecular dynamics trajectory are dependent on the particular coordinates chosen as a starting point for the simulation. [source] Ferroelastic phase transitions: structure and microstructureACTA CRYSTALLOGRAPHICA SECTION A, Issue 1 2005Ekhard K. H. Salje Landau-type theories describe the observed behaviour of phase transitions in ferroelastic and co-elastic minerals and materials with a high degree of accuracy. In this review, the derivation of the Landau potential G = ½A,S [coth(,S/T) , coth(,S/TC)]Q2 + ¼BQ4 + , is derived as a solution of the general ,4 model. The coupling between the order parameter and spontaneous strain of a phase transition brings the behaviour of many phase transitions to the mean-field limit, even when the atomistic mechanism of the transition is spin-like. Strain coupling is also a common mechanism for the coupling between multiple order parameters in a single system. As well as changes on the crystal structure scale, phase transitions modify the microstructure of materials, leading to anomalous mesoscopic features at domain boundaries. The mesostructure of a domain wall is studied experimentally using X-ray diffraction, and interpreted theoretically using Ginzburg,Landau theory. One important consequence of twin mesostructures is their modified transport properties relative to the bulk. Domain wall motion also provides a mechanism for superelastic behaviour in ferroelastics. At surfaces, the relaxations that occur can be described in terms of order parameters and Landau theory. This leads to an exponential profile of surface relaxations. This in turn leads to an exponential interaction energy between surfaces, which can, if large enough, destabilize symmetrical morphologies in favour of a platelet morphology. Surface relaxations may also affect the behaviour of twin walls as they intersect surfaces, since the surface relaxation may lead to an incompatibility of the two domains at the surface, generating large strains at the relaxation. Landau theory may also be extended to describe the kinetics of phase transitions. Time-dependent Landau theory may be used to describe the kinetics of order,disorder phase transitions in which the order parameter is homogeneous. However, the time-dependent Landau theory equations also have microstructural solutions, explaining the formation of microstructures such as tweed. [source] Reversible phase transition of pyridinium-3-carboxylic acid perchlorateACTA CRYSTALLOGRAPHICA SECTION B, Issue 3 2010Heng-Yun Ye Pyridinium-3-carboxylic acid perchlorate was synthesized and separated as crystals. Differential scanning calorimetry (DSC) measurements show that this compound undergoes a reversible phase transition at ,,135,K with a wide hysteresis of 15,K. Dielectric measurements confirm the transition at ,,127,K. Measurement of the unit-cell parameters versus temperature shows that the values of the c axis and , angle change abruptly and remarkably at 129,(2),K, indicating that the system undergoes a first-order transition at Tc = 129,K. The crystal structures determined at 103 and 298,K are all monoclinic in P21/c, showing that the phase transition is isosymmetric. The crystal contains one-dimensional hydrogen-bonded chains of the pyridinium-3-carboxylic acid cations, which are further linked to perchlorate anions by hydrogen bonds to form well separated infinite planar layers. The most distinct differences between the structures of the higher-temperature phase and the lower-temperature phase are the change of the distance between the adjacent pyridinium ring planes within the hydrogen-bonded chains and the relative displacement between the hydrogen-bonded layers. Structural analysis shows that the driving force of the transition is the reorientation of the pyridinium-3-carboxylic acid cations. The degree of order of the perchlorate anions may be a secondary order parameter. [source] Order,disorder transition in monoclinic sulfur: a precise structural study by high-resolution neutron powder diffractionACTA CRYSTALLOGRAPHICA SECTION B, Issue 6 2006W. I. F. David High-resolution neutron powder diffraction has been used in order to characterize the order,disorder transition in monoclinic cyclo-octasulphur. Rapid data collection and the novel use of geometrically constrained refinements has enabled a direct and precise determination of the order parameter, based on molecular site occupancies, to be made. The transition is critical and continuous; with a transition temperature, Tc = 198.4,(3),K, and a critical exponent, , = 0.28,(3), which is indicative of three-dimensional ordering. Difficulties encountered as a consequence of the low thermal conductivity of the sample are discussed. [source] Interacting bosons in an optical latticeANNALEN DER PHYSIK, Issue 8 2008C. Moseley Abstract A strongly interacting Bose gas in an optical lattice is studied using a hard-core interaction. Two different approaches are introduced, one is based on a spin-1/2 Fermi gas with attractive interaction, the other one on a functional integral with an additional constraint (slave-boson approach). The relation between fermions and hard-core bosons is briefly discussed for the case of a one-dimensional Bose gas. For a three-dimensional gas we identify the order parameter of the Bose-Einstein condensate through a Hubbard-Stratonovich transformation and treat the corresponding theories within a mean-field approximation and with Gaussian fluctuations. This allows us to evaluate the phase diagram, including the Bose-Einstein condensate and the Mott insulator, the density-density correlation function, the static structure factor, and the quasiparticle excitation spectrum. The role of quantum and thermal fluctuations are studied in detail for both approaches, where we find good agreement with the Gross-Pitaevskii equation and with the Bogoliubov approach in the dilute regime. In the dense regime, which is characterized by the phase transition between the Bose-Einstein condensate and the Mott insulator, we discuss a renormalized Gross-Pitaevskii equation. This equation can describe the macroscopic wave function of the Bose-Einstein condensate in the dilute regime as well as close to the transition to the Mott insulator. Finally, we compare the results of the attractive spin-1/2 Fermi gas and those of the slave-boson approach and find good agreement for all physical quantities. [source] Unconventional superconductivity and magnetism in Sr2RuO4 and related materialsANNALEN DER PHYSIK, Issue 3 2004I. Eremin Abstract We review the normal and superconducting state properties of the unconventional triplet superconductor Sr2RuO4 with an emphasis on the analysis of the magnetic susceptibility and the role played by strong electronic correlations. In particular, we show that the magnetic activity arises from the itinerant electrons in the Ru d -orbitals and a strong magnetic anisotropy occurs (,+- < ,zz) due to spin-orbit coupling. The latter results mainly from different values of the g -factor for the transverse and longitudinal components of the spin susceptibility (i.e. the matrix elements differ). Most importantly, this anisotropy and the presence of incommensurate antiferromagnetic and ferromagnetic fluctuations have strong consequences for the symmetry of the superconducting order parameter. In particular, reviewing spin fluctuation-induced Cooper-pairing scenario in application to Sr2RuO4 we show how p -wave Cooper-pairing with line nodes between neighboring RuO2 -planes may occur. We also discuss the open issues in Sr2RuO4 like the influence of magnetic and non-magnetic impurities on the superconducting and normal state of Sr2RuO4. It is clear that the physics of triplet superconductivity in Sr2RuO4 is still far from being understood completely and remains to be analyzed more in more detail. It is of interest to apply the theory also to superconductivity in heavy-fermion systems exhibiting spin fluctuations. [source] Effects of mild aerobic physical exercise on membrane fluidity of erythrocytes in essential hypertensionCLINICAL AND EXPERIMENTAL PHARMACOLOGY AND PHYSIOLOGY, Issue 5-6 2003Kazushi Tsuda Summary 1.,The present study was undertaken to investigate the effects of aerobic physical exercise on membrane function in mild essential hypertension. 2.,Hypertensive patients were divided into an exercise group (n = 8) and a non-exercise (control) group (n = 8). Physical exercise within the intensity of the anaerobic threshold level was performed twice a week for 6 months. Membrane fluidity of erythrocytes was examined by means of electron paramagnetic resonance (EPR) and spin-labelling methods before and after the trial period in both groups. 3.,After physical exercise, blood pressure decreased significantly. 4.,Compared with the non-exercise group, in the exercise group both the order parameter (S) and the peak height ratio (ho/h -1) in the EPR spectra of erythrocytes were significantly reduced (S, 0.717 ± 0.004 vs 0.691 ± 0.008, respectively (n = 8), P < 0.05; ho/h -1, 5.38 ± 0.06 vs 4.89 ± 0.06, respectively (n = 8), P < 0.05). These findings indicated that exercise increased membrane fluidity and improved the membrane microviscosity of erythrocytes. 5.,There was no direct correlation between blood pressure reduction and the exercise-induced increase in membrane fluidity of erythrocytes. 6.,In the non-exercise (control) group, blood pressure and membrane fluidity were not changed after a 6 month follow-up period. 7., The results show that aerobic physical exercise increased erythrocyte membrane fluidity and improved the rigidity of cell membranes in hypertensive patients. The improvement of rheological properties of erythrocytes may explain, in part, the cellular mechanisms for the beneficial effects of physical exercise in hypertension. [source] Raman and Rayleigh scattering study of crystalline polyoxyethyleneglycolsCRYSTAL RESEARCH AND TECHNOLOGY, Issue 4-5 2005M. Kozielski Abstract Results of the study of Raman and Rayleigh scattering in crystalline polyoxyethyleneglycols (PEG) and PEG 1500 aqueous solution are reported. The conformational changes of the polymer chain have been studied as a function of PEG water solution concentration and molecular weight. Intensity ratios of the gauche and trans conformation around C,C and C,O bonds have been estimated from the Raman spectra. Moreover, from the Raman band parameters the values of the order parameters versus aqueous solution concentration have been determined. The influence of an external electric field on these parameters has been analysed. Mutual orientation of polyoxyethyleneglycol chains in the crystalline and liquid state has been studied on the basis of the angular correlation parameters obtained from the Rayleigh band intensity as a function of aqueous solution concentration and molecular weight. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Quantitative Phase Field Modeling of Precipitation Processes,ADVANCED ENGINEERING MATERIALS, Issue 12 2006Q. Bronchard Phase Field modelling of microstructural evolution in alloys has already a long and successful history. One of the basics of the theory is the introduction of continuous fields (concentration, long-range order parameters) that describe the local state of the alloy. These fields have a meaning only at a mesoscopic scale. One consequence is that we can treat much larger systems than with microscopic methods such as Monte Carlo or molecular dynamics simulations. The aim of this work is to precisely analyse the status of the mesoscopic free energy densities that are used in Phase Field theories and, simultaneously, to clarify the form that the Phase Field equations should adopt. [source] The tectonic regime along the Andes: Present-day and Mesozoic regimesGEOLOGICAL JOURNAL, Issue 1 2010Victor A. Ramos Abstract The analyses of the main parameters controlling the present Chile-type and Marianas-type tectonic settings developed along the eastern Pacific region show four different tectonic regimes: (1) a nearly neutral regime in the Oregon subduction zone; (2) major extensional regimes as the Nicaragua subduction zone developed in continental crust; (3) a Marianas setting in the Sandwich subduction zone with ocean floored back-arc basin with a unique west-dipping subduction zone and (4) the classic and dominant Chile-type under compression. The magmatic, structural and sedimentary behaviours of these four settings are discussed to understand the past tectonic regimes in the Mesozoic Andes based on their present geological and tectonic characteristics. The evaluation of the different parameters that governed the past and present tectonic regimes indicates that absolute motion of the upper plate relative to the hotspot frame and the consequent trench roll-back velocity are the first order parameters that control the deformation. Locally, the influences of the trench fill, linked to the dominant climate in the forearc, and the age of the subducted oceanic crust, have secondary roles. Ridge collisions of seismic and seismic oceanic ridges as well as fracture zone collisions have also a local outcome, and may produce an increase in coupling that reinforces compressional deformation. Local strain variations in the past and present Andes are not related with changes in the relative convergence rate, which is less important than the absolute motion relative to the Pacific hotspot frame, or changes in the thermal state of the upper plate. Changes in the slab dip, mainly those linked to steepening subduction zones, produce significant variations in the thermal state, that are important to generate extreme deformation in the foreland. Copyright © 2009 John Wiley & Sons, Ltd. [source] Microradian X-ray diffraction in colloidal photonic crystalsJOURNAL OF APPLIED CRYSTALLOGRAPHY, Issue 2 2006J. H. J. Thijssen Ultra-high-resolution small-angle X-ray scattering in various colloidal photonic crystals is reported. It is demonstrated that an angular resolution of about two microradians is readily achievable at a third-generation synchrotron source using compound refractive optics. The scheme allows fast acquisition of two-dimensional X-ray diffraction data and can be realised at sample,detector separations of only a few metres. As a result, diffraction measurements in colloidal crystals with interplanar spacings larger than a micrometre, as well as determination of the range of various order parameters from the width of the Bragg peaks, are made possible. [source] String Fit: a new structurally oriented X-ray and neutron reflectivity evaluation techniqueJOURNAL OF APPLIED CRYSTALLOGRAPHY, Issue 3 2001Erich Politsch A novel method for the analysis of neutron and X-ray reflectivity measurements is presented. In contrast to existing methods, the new data fitting approach is structurally oriented and therefore only requires information about the chemical structure of studied molecules and no other ad hoc assumptions. Apart from the inversion of reflectivity into scattering length density profile, the inversion of scattering length density profile into molecular arrangement is addressed systematically for non-trivial molecular conformations for the first time. This includes the calculation of structural characteristics, such as radius of gyration or chain order parameters, based on measured reflectograms. Another important option is the possibility to evaluate simultaneously neutron and X-ray reflectograms of a given sample. For better convergence, especially for complex simultaneous evaluations, an effective extension of the normally used least-squares deviation function is introduced. Different simulated molecular ensembles are used to illustrate the features of the new approach; typically, excellent agreement between the simulated starting and final deduced data sets is achieved. [source] Force field-dependant structural divergence revealed during long time simulations of Calbindin d9kJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 9 2010Elad Project Abstract The structural and the dynamic features of the Calbindin (CaB) protein in its holo and apo states are compared using molecular dynamics simulations under nine different force fields (FFs) (G43a1, G53a6, Opls-AA, Amber94, Amber99, Amber99p, AmberGS, AmberGSs, and Amber99sb). The results show that most FFs reproduce reasonably well the majority of the experimentally derived features of the CaB protein. However, in several cases, there are significant differences in secondary structure properties, root mean square deviations (RMSDs), root mean square fluctuations (RMSFs), and S2 order parameters among the various FFs. What is more, in certain cases, these parameters differed from the experimentally derived values. Some of these deviations became noticeable only after 50 ns. A comparison with experimental data indicates that, for CaB, the Amber94 shows overall best agreement with the measured values, whereas several others seem to deviate from both crystal and nuclear magnetic resonance data. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010 [source] | |||||||||||||||||||||||||