Order-disorder transformation in the Ni-4.49 at.% Al alloy

The order-disorder transformation in the Ni-4.49 at.% Al alloy was studied using electrical resistivity measurements, microhardness measurements, differential scanning calorimetry (DSC) and transmission electron microscopy (TEM). The results confirmed the ordering behavior expected for Ni-Al dilute alloys and the suggested relation between resistivity changes and microhardness changes with antiferromagnetic spin ordering. The higher value obtained for the activation energy of vacancy migration was associated with a decrease in the Al concentration gradient near solute-depleted regions. (c) 2005 Elsevier B.V. All rights reserved.

Joint Experimental and Theoretical Analysis of Order Disorder Effects in Cubic BaZrO3 Assembled Nanoparticles under Decaoctahedral Shape

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Relation between photoluminescence emission and local order-disorder in the CaTiO3 lattice modifier

In this letter, the authors propose that photoluminescence emission in CaTiO3 is affected not only by disorder in the lattice former but also by structural disorder in the lattice modifier. Structural disorder was evaluated by Ti, Ca K-edge x-ray absorption near-edge structure experiments and by photoluminescence emission. The preedge feature of the Ca K edge was related to the intensity of photoluminescence emission. The results of the preedge feature of the Ca K-edge x-ray absorption near-edge structure confirm the presence of different Ca coordination numbers, namely, Ca-O-11 and Ca-O-12. (c) 2007 American Institute of Physics.

Er3+ as marker for order-disorder determination in the PbTiO3 system

Er3+ ions were added to the PbTiO3 network using the polymeric precursor method to characterize the order-disorder transformation found in this material by means of experimental and theoretical approach. The disordered and ordered material structures were studied by photoluminescence measurements, X-ray diffraction (XRD) and U-V-visible spectroscopy. The Er3+ ions served as a marker to identify the structural short-range order beginning in the PbTiO3 matrix. From photoluminescence results it was concluded that disordered PbTiO3 powders have a certain short range order in the network that are undetected by XRD measurements. The electronic structures were calculated by the ab initio periodic method in DFT level with the non-local B3LYP hybrid approximation for the Ti atom site interpretation using density of states (DOS) results. This analysis enabled understanding that Ti atom sphere coordination can create possible states for radioactive return and trap of electron-holes pair. (c) 2007 Elsevier B.V. All rights reserved.

Correlation among order-disorder, electronic levels, and photoluminescence in amorphous CT : Sm

Ca0.95Sm0.05TiO3 (CT:Sm) powder was prepared by the polymeric precursor method (PPM). Order-disorder at short and long range has been investigated by means of Raman spectroscopy, X-ray diffraction (XRD), and photoluminescence emission (PL) experimental techniques. The broad PL band and the Sm emission spectrum measured at room temperature indicate the increase of structural order with annealing temperature. The measured PL emission reveals that the PL intensity changes with the degree of disorder in the CT: Sm. The electronic structures were performed by the ab initio periodic method in the DFT level with the hybrid nonlocal B3LYP approximation. Theoretical results are analyzed in terms of DOS, charge densities, and Mulliken charges. Localized levels into the band gap of the CT: Sm material favor the creation of the electron-hole pair, supporting the observed room-temperature PL phenomenon.

Contribution of structural order-disorder to the green photoluminescence of PbWO4

An intense and broad visible photoluminescence (PL) band was observed at room temperature in structurally disordered PbWO4 thin films. The scheelite lead tungstate (PbWO4) films prepared by the polymeric precursor method and annealed at different temperatures were structurally characterized by means of x-ray diffraction and atomic force microscopy analysis. Quantum-mechanical calculations showed that the local disorder of the network modifier (Pb) has a very important role in the charge transfer involved in the green PL emission. The experimental and theoretical results are in good agreement, both indicating that the generation of the intense visible PL band is related to simultaneous structural order and disorder in the scheelite PbWO4 lattice.

Correlation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystals

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A relationship between structural and electronic order-disorder effects and optical properties in crystalline TiO2 nanomaterials

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Microcanonical finite-size scaling in second-order phase transitions with diverging specific heat

A microcanonical finite-size ansatz in terms of quantities measurable in a finite lattice allows extending phenomenological renormalization the so-called quotients method to the microcanonical ensemble. The ansatz is tested numerically in two models where the canonical specific heat diverges at criticality, thus implying Fisher renormalization of the critical exponents: the three-dimensional ferromagnetic Ising model and the two-dimensional four-state Potts model (where large logarithmic corrections are known to occur in the canonical ensemble). A recently proposed microcanonical cluster method allows simulating systems as large as L = 1024 Potts or L= 128 (Ising). The quotients method provides accurate determinations of the anomalous dimension, η, and of the (Fisher-renormalized) thermal ν exponent. While in the Ising model the numerical agreement with our theoretical expectations is very good, in the Potts case, we need to carefully incorporate logarithmic corrections to the microcanonical ansatz in order to rationalize our data.

Átmenet vagy spontán rend(etlenség)? = Transition or spontaneous order/disorder?

Az írás arra a kérdésre keresi a választ, hogy a két évtized után tartóssá, vagyis trenddé váló gazdasági és társadalmi eltérések a "posztkommunista" országok között milyen okokra vezethetők vissza. Másodsorban azt elemzi, mi a jelentősége e sokrétű különbségek modellszerű kategorizálásának. Ennek alapja az állami szerepvállalás mértéke és minősége. Végül harmadikként azt a kérdéskört vizsgálja, hogy az eltérések milyen következményekkel járnak. A fő következtetés az, hogy a közösségi választások ugyan jelentősek, ezek szerepe azonban a pályafüggőséghez képest sokkal kisebb, mint azt a legtöbb elmélet föltételezi. Az eredmény - Hayekkel szólva (Hayek [1995]) - emberi cselekvés, ámde nem emberi tervezet szülötte. _____ The article seeks to discover what causes can be traced for the economic and social differences that have become permanent or a trend after two decades. Secondly, it analy-ses what importance this model-like categorization of manifold differences bears. Thirdly and lastly, it examines the sphere of questions to do with the consequences of these differences. The main conclusion is that the community choices are significant, but their role is much less, by comparison with career dependence, than most theories assume. Achievement, to quote Hayek (1995) is borne of human endeavour, not human planning.

Origin of scale-free intermittency in structural first-order phase transitions

16 pages, 22 figures

The structures of Langmuir-Blodgett films of fatty acids and their salts

Recent advances in several experimental techniques have enabled detailed structural information to be obtained for floating (Langmuir) monolayers and Langmuir-Blodgett films. These techniques are described briefly and their application to the study of films of fatty acids and their salts is discussed. Floating monolayers on aqueous subphases have been shown to possess a complex polymorphism with phases whose structures may be compared to those of smectic mesophases. However, only those phases that exist at high surface pressures are normally used in Langmuir-Blodgett (LB) deposition. In single LB monolayers of fatty acids and fatty acid salts the acyl chains are in the all-cans conformation with their long axes normal to the substrate. The in-plane molecular packing is hexagonal with long-range bond orientational order and short-range positional order: known as the hexatic-B structure. This structure is found irrespective of the phase of the parent floating monolayer. The structures of multilayer LB films are similar to the structures of their bulk crystals, consisting of stacked bilayer lamellae. Each lamella is formed from two monolayers of fatty acid molecules or ions arranged head to head and held together by hydrogen bonding between pairs of acids or ionic bonding through the divalent cations. With acids the acyl chains are tilted with respect to the substrate normal and have a monoclinic structure, whereas the salts with divalent cations may have the chains normal to the substrate or tilted. The in-plane structures are usually centred rectangular with the chains in the trans conformation and packed in a herringbone pattern, Multilayer films of the acids show only a single-step order-disorder transition at the malting point, This temperature tends to rise as the number of layers increases. Complex changes occur when multilayer films of the salts are heated. Disorder of the chains begins at low temperatures but the arrangement of the head groups does not alter until the melting temperature is reached, Slow heating to a temperature just below the melting temperature gives, with some salts, a radical change in phase. The lamellar structure disappears and a new phase consisting of cylindrical rods lying parallel to the substrate surface and stacked in a hexagonal pattern is formed, In each rod the cations are aligned along the central axis surrounded by the disordered acyl chains. (C) 2001 Elsevier Science B,V. All rights reserved.

The condensation and ordering of models of empty liquids

We consider a simple model consisting of particles with four bonding sites ("patches"), two of type A and two of type B, on the square lattice, and investigate its global phase behavior by simulations and theory. We set the interaction between B patches to zero and calculate the phase diagram as the ratio between the AB and the AA interactions, epsilon(AB)*, varies. In line with previous work, on three-dimensional off-lattice models, we show that the liquid-vapor phase diagram exhibits a re-entrant or "pinched" shape for the same range of epsilon(AB)*, suggesting that the ratio of the energy scales - and the corresponding empty fluid regime - is independent of the dimensionality of the system and of the lattice structure. In addition, the model exhibits an order-disorder transition that is ferromagnetic in the re-entrant regime. The use of low-dimensional lattice models allows the simulation of sufficiently large systems to establish the nature of the liquid-vapor critical points and to describe the structure of the liquid phase in the empty fluid regime, where the size of the "voids" increases as the temperature decreases. We have found that the liquid-vapor critical point is in the 2D Ising universality class, with a scaling region that decreases rapidly as the temperature decreases. The results of simulations and theoretical analysis suggest that the line of order-disorder transitions intersects the condensation line at a multi-critical point at zero temperature and density, for patchy particle models with a re-entrant, empty fluid, regime. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3657406]

Carbon nanotubes as reinforcement of cellulose liquid crystalline responsive networks

The incorporation of small amount of highly anisotropic nanoparticles into liquid crystalline hydroxypropylcellulose (LC-HPC) matrix improves its response when is exposed to humidity gradients due to an anisotropic increment of order in the structure. Dispersed nanoparticles give rise to faster order/disorder transitions when exposed to moisture as it is qualitatively observed and quantified by stress-time measurements. The presence of carbon nanotubes derives in a improvement of the mechanical properties of LC-HPC thin films.