Showing papers on "Phase transition published in 2003"
TL;DR: In this article, the pore size distributions derived from adsorption isotherms of micro- and mesoporous materials are identified and discussed based on new results and examples reported in the recent literature.
1,775 citations
TL;DR: The linearized-augmented-plane-wave method is one of the most accurate methods for solving the density functional theory (DFT) problem as discussed by the authors. But it is computationally expensive.
971 citations
942 citations
TL;DR: Observations of the structural evolution of aluminum as it underwent an ultrafast laser–induced solid-liquid phase transition provide an atomic-level description of the melting process, which is best understood as a thermal phase transition under strongly driven conditions.
Abstract: We used 600-femtosecond electron pulses to study the structural evolution of aluminum as it underwent an ultrafast laser–induced solid-liquid phase transition. Real-time observations showed the loss of long-range order that was present in the crystalline phase and the emergence of the liquid structure where only short-range atomic correlations were present; this transition occurred in 3.5picoseconds for thin-film aluminum with an excitation fluence of 70 millijoules per square centimeter. The sensitivity and time resolution were sufficient to capture the time-dependent pair correlation function as the system evolved from the solid to the liquid state. These observations provide an atomic-level description of the melting process, in which the dynamics are best understood as a thermal phase transition under strongly driven conditions.
853 citations
TL;DR: Two types of photomodulation of orientations of liquid crystals (LCs) are reviewed: 1) order-disorder phase transitions induced by photochemical reactions of photochromic molecules and 2) orderorder alignment change of LCs (change in LC directors) induced by photoochemical reactions or without photochemical events.
Abstract: Two types of photomodulation of orientations of liquid crystals (LCs) are reviewed: 1) order–disorder phase transitions of LCs induced by photochemical reactions of photochromic molecules and 2) order–order alignment change of LCs (change in LC directors) induced by photochemical reactions or without photochemical events. Both processes produce a large refractive-index modulation, which forms the basis of a range of photonic applications. Various modes of photomodulation of orientations of LCs with plausible mechanisms and their possible applications in photonics are described.
688 citations
TL;DR: Time-resolved X-ray diffraction measurements of the coherent atomic displacement of the lattice atoms in photoexcited bismuth close to a phase transition are reported, which leads to a subsequent loss of long-range order.
Abstract: The study of phase-transition dynamics in solids beyond a time-averaged kinetic description requires direct measurement of the changes in the atomic configuration along the physical pathways leading to the new phase. The timescale of interest is in the range 10(-14) to 10(-12) s. Until recently, only optical techniques were capable of providing adequate time resolution, albeit with indirect sensitivity to structural arrangement. Ultrafast laser-induced changes of long-range order have recently been directly established for some materials using time-resolved X-ray diffraction. However, the measurement of the atomic displacements within the unit cell, as well as their relationship with the stability limit of a structural phase, has to date remained obscure. Here we report time-resolved X-ray diffraction measurements of the coherent atomic displacement of the lattice atoms in photoexcited bismuth close to a phase transition. Excitation of large-amplitude coherent optical phonons gives rise to a periodic modulation of the X-ray diffraction efficiency. Stronger excitation corresponding to atomic displacements exceeding 10 per cent of the nearest-neighbour distance-near the Lindemann limit-leads to a subsequent loss of long-range order, which is most probably due to melting of the material.
548 citations
TL;DR: Detailed and unambiguous simulation evidence is provided that the transition in supercooled liquid silicon, in the Stillinger–Weber potential18, is thermodynamically of first order and indeed occurs between two liquid states, as originally predicted by Aptekar10.
Abstract: Silicon in its liquid and amorphous forms occupies a unique position among amorphous materials. Obviously important in its own right, the amorphous form is structurally close to the group of 4–4, 3–5 and 2–6 amorphous semiconductors that have been found to have interesting pressure-induced semiconductor-to-metal phase transitions1,2. On the other hand, its liquid form has much in common, thermodynamically, with water and other ‘tetrahedral network’ liquids that show density maxima3,4,5,6,7. Proper study of the ‘liquid–amorphous transition’, documented for non-crystalline silicon by both experimental and computer simulation studies8,9,10,11,12,13,14,15,16,17, may therefore also shed light on phase behaviour in these related materials. Here, we provide detailed and unambiguous simulation evidence that the transition in supercooled liquid silicon, in the Stillinger–Weber potential18, is thermodynamically of first order and indeed occurs between two liquid states, as originally predicted by Aptekar10. In addition we present evidence to support the relevance of spinodal divergences near such a transition, and the prediction3 that the transition marks a change in the liquid dynamic character from that of a fragile liquid to that of a strong liquid.
518 citations
TL;DR: A review of quantum phase transitions in condensed matter physics can be found in this article, where the authors introduce important concepts of phase transitions and discuss the interplay of quantum and classical fluctuations near criticality.
Abstract: In recent years, quantum phase transitions have attracted the interest of both theorists and experimentalists in condensed matter physics. These transitions, which are accessed at zero temperature by variation of a non-thermal control parameter, can influence the behaviour of electronic systems over a wide range of the phase diagram. Quantum phase transitions occur as a result of competing ground state phases. The cuprate superconductors which can be tuned from a Mott insulating to a d-wave superconducting phase by carrier doping are a paradigmatic example. This review introduces important concepts of phase transitions and discusses the interplay of quantum and classical fluctuations near criticality. The main part of the article is devoted to bulk quantum phase transitions in condensed matter systems. Several classes of transitions will be briefly reviewed, pointing out, e.g., conceptual differences between ordering transitions in metallic and insulating systems. An interesting separate class of transitions is boundary phase transitions where only degrees of freedom of a subsystem become critical; this will be illustrated in a few examples. The article is aimed at bridging the gap between high-level theoretical presentations and research papers specialized in certain classes of materials. It will give an overview on a variety of different quantum transitions, critically discuss open theoretical questions, and frequently make contact with recent experiments in condensed matter physics.
508 citations
TL;DR: In this paper, the distribution of bonds associated with the M2 sites in various well-ordered pyroxene minerals is determined using a topological analysis of electron density in the manner proposed by Bader.
Abstract: The distribution of bonds associated with the M2 sites in various well-ordered pyroxene minerals is determined using a topological analysis of electron density in the manner proposed by Bader (1998). Each M2 atom is bonded to 2 O1 and to 2 O2 atoms, and to zero, one, two, or four bridging O3 atoms. Each of the symmetries displayed by pyroxenes have their own bonding systematics, and each pyroxene-to-pyroxene phase transition involves a change in bonding to M2. As a function of temperature or pressure, the bonding changes appear as a well-defined sequence of steps that can be related to the degree of distortion from the ideal closest packing of anions. It is proposed that the condition at which an individual phase transition occurs is related to M2-Si repulsion through a shared edge. The bonding analysis should provide a qualitative means to interpret the behavior of all pyroxene structures over T , P , and x , and may guide the interpretation of the changes in properties observed by techniques other than X-ray diffraction, such as Raman spectroscopy.
504 citations
TL;DR: In this paper, a model of microdischarge formation is suggested, assuming the possibility of free-electron generation and glow discharge ignition in the gaseous media developed at the oxide-electrolyte interface.
Abstract: Digital video imaging of the plasma electrolytic oxidation (PEO) of aluminium has been performed, which allowed evaluation of both dimensional characteristics of individual microdischarges appearing at the oxide–electrolyte interface and their collective behaviour throughout the oxidation process. It has been shown that the microdischarge cross-sectional dimensions vary within the range 0.01–1.35 mm2. In the course of PEO processing, small localized events (<0.03 mm3) always dominate in the microdischarge spatial distribution and the relative proportion of medium-sized to very large microdischarges is gradually redistributed in favour of the latter. Temporal dependences have been found for the fraction of surface area instantaneously experiencing the discharge, as well as for the spatial and current densities of the microdischarge. Discharge mechanisms occurring during PEO are discussed and a model of microdischarge formation is suggested, assuming the possibility of free-electron generation and glow discharge ignition in the gaseous media developed at the oxide–electrolyte interface. First approximation evaluations of thermal processes in the oxide layer under the discharge conditions have been considered. The estimated ranges of the microdischarge current density (50–18 kA m−2) and duration (0.25–3.5 ms) sufficient for initiating phase transitions (e.g. γ–α transformation and melting) in the surface oxide layer are shown to be in good agreement with experimental data.
417 citations
TL;DR: It is suggested that the introduction of intermolecular interactions such as pi-pi interactions, hydrogen bonding, or an ion-dipole interaction might serve to achieve optical switching effects in molecular compounds.
Abstract: A possible route to finding new optically switchable molecular solids is to investigate the photoeffects of compounds that exhibit an abrupt phase transition or hysteresis loop. Such compounds must possess at least bistable states that are separated by a potential barrier in free energy. In fact, on the basis of this idea, we have recently succeeded in identifying three kinds of optically switchable molecular compounds. These include an FeIII spin-crossover complex exhibiting light induced excited spin state trapping effects and a CuII photochromic complex and an FeCo Prussian blue exhibiting photoinduced magnetization. It should be noted that abrupt phase transitions or phase transitions with a hysteresis loop are observed when cooperativity due to an intermolecular interaction operates within the crystals. This suggests that the introduction of intermolecular interactions such as π−π interactions, hydrogen bonding, or an ion−dipole interaction might serve to achieve optical switching effects in molecula...
TL;DR: In this paper, the authors examined the performance of a thermal-relaxation calorimeter that operates in the temperature range of 1.8-395 K. The accuracy of the PPMS specific heat data is determined by comparing data measured on copper and synthetic sapphire samples with standard literature values.
Book•
01 Aug 2003TL;DR: In this paper, the authors present a mathematical model for the micromagnetic equilibrium conditions of spin systems in amorphous and polycrystalline ferromagnets, showing that the properties of these properties are similar to those of the magnetic Gibbs free energy of modern magnetic materials.
Abstract: 1. Introduction 2. Magnetic Gibbs free energy 3. Basic micromagnetic equilibrium conditions 4. Domain walls in crystalline and amorphous solids 5. Interaction of domain walls with defects 6. Coercivity of modern magnetic materials 7. Statistical theory of domain wall pinning 8. Law of approach to ferromagnetic saturation and high-field susceptibility 9. Microstructure and domain patterns 10. Magnetic after-effects in amorphous alloys 11. Magnetorestriction in amorphous and polycrystalline ferromagnets 12. Micromagnetic theory of phase transitions in spatially disordered spin systems 13. Computational micromagnetism of thin platelets and small particles 14. Computational micromagnetism of dynamic magnetization processes Index.
TL;DR: Findings support the view that moderate SMF effects on biological membranes represent a general phenomenon, with some channels being more susceptible than others to membrane deformation.
Abstract: There is substantial evidence indicating that moderate-intensity static magnetic fields (SMF) are capable of influencing a number of biological systems, particularly those whose function is closely linked to the properties of membrane channels. Most of the reported moderate SMF effects may be explained on the basis of alterations in membrane calcium ion flux. The mechanism suggested to explain these effects is based on the diamagnetic anisitropic properties of membrane phospholipids. It is proposed that reorientation of these molecules during moderate SMF exposure will result in the deformation of imbedded ion channels, thereby altering their activation kinetics. Channel inactivation would not be expected to be influenced by these fields because this mechanism is not located within the intramembraneous portion of the channel. Patch-clamp studies of calcium channels have provided support for this hypothesis, as well as demonstrating a temperature dependency that is understandable on the basis of the membrane thermotropic phase transition. Additional studies have demonstrated that sodium channels are similarly affected by SMFs, although to a lesser degree. These findings support the view that moderate SMF effects on biological membranes represent a general phenomenon, with some channels being more susceptible than others to membrane deformation.
TL;DR: This paper focuses on microscopic modeling, i.e., coupled differential equations, cellular automata, and coupled maps, and the phase transition behavior of these models, as far as it is known, is discussed.
Abstract: Certain aspects of traffic flow measurements imply the existence of a phase transition. Models known from chaos and fractals, such as nonlinear analysis of coupled differential equations, cellular automata, or coupled maps, can generate behavior which indeed resembles a phase transition in the flow behavior. Other measurements point out that the same behavior could be generated by geometrical constraints of the scenario. This paper looks at some of the empirical evidence, but mostly focuses on different modeling approaches. The theory of traffic jam dynamics is reviewed in some detail, starting from the well-established theory of kinematic waves and then veering into the area of phase transitions. One aspect of the theory of phase transitions is that, by changing one single parameter, a system can be moved from displaying a phase transition to not displaying a phase transition. This implies that models for traffic can be tuned so that they display a phase transition or not.This paper focuses on microscopic modeling, i.e., coupled differential equations, cellular automata, and coupled maps. The phase transition behavior of these models, as far as it is known, is discussed. Similarly, fluid-dynamical models for the same questions are considered. A large portion of this paper is given to the discussion of extensions and open questions, which makes clear that the question of traffic jam dynamics is, albeit important, only a small part of an interesting and vibrant field. As our outlook shows, the whole field is moving away from a rather static view of traffic toward a dynamic view, which uses simulation as an important tool.
TL;DR: The numerical results agree with the predictions of euclidean random matrix theory on the existence of a sharp phase transition between an amorphous elastic phase and a phonon-free one.
Abstract: Glasses are amorphous solids, in the sense that they display elastic behaviour. In crystalline solids, elasticity is associated with phonons, which are quantized vibrational excitations. Phonon-like excitations also exist in glasses at very high (terahertz; 10(12) Hz) frequencies; surprisingly, these persist in the supercooled liquids. A universal feature of such amorphous systems is the boson peak: the vibrational density of states has an excess compared to the Debye squared-frequency law. Here we investigate the origin of this feature by studying the spectra of inherent structures (local minima of the potential energy) in a realistic glass model. We claim that the peak is the signature of a phase transition in the space of the stationary points of the energy, from a minima-dominated phase (with phonons) at low energy to a saddle-point-dominated phase (without phonons). The boson peak moves to lower frequencies on approaching the phonon-saddle transition, and its height diverges at the critical point. Our numerical results agree with the predictions of euclidean random matrix theory on the existence of a sharp phase transition between an amorphous elastic phase and a phonon-free one.
TL;DR: The results demonstrate the coexistence of a displacive and order-disorder component in the phase transition mechanism and tetragonal breaking of the cubic symmetry due to biased Ti motion between off-center sites in the paraelectric phase above T(c).
Abstract: A quadrupole coupling induced $^{\mathrm{47}}\mathrm{T}\mathrm{i}$ and $^{\mathrm{49}}\mathrm{T}\mathrm{i}$ satellite background which transforms into well-defined satellite lines below ${T}_{c}$ in the ferroelectric phase has been observed in the cubic phase of an ultrapure ${\mathrm{B}\mathrm{a}\mathrm{T}\mathrm{i}\mathrm{O}}_{3}$ single crystal. The results demonstrate the coexistence of a displacive and order-disorder component in the phase transition mechanism and tetragonal breaking of the cubic symmetry due to biased Ti motion between off-center sites in the paraelectric phase above ${T}_{c}$.
Abstract: We present a theoretical analysis of the phase diagram of two- component bosons on an optical lattice. An ew formalism is developed which treats the effective spin interactions in th eM ott and superfluid phases on the same footing. Using this new approach we chart the phase boundaries of the broken spin symmetry states up to the Mott to superfluid transition and beyond. Near the transition point, the magnitude of spin exchange can be very large, which facilitates the experimental realization of spin-ordered states. We find that spin and quantum fluctuations have a dramatic effect on the transition, making it first order in extended regions of the phase diagram. When each species is at integer filling, an additional phase transition may occur, from a spin-ordered insulator to aM ott insulator with no broken symmetries. We determine the phase boundaries in this regime and show that this is essentially a Mott transition in the spin sector.
TL;DR: The high-pressure local structure of zinc oxide has been studied at room temperature using combined energy-dispersive x-ray-diffraction and xray-absorption spectroscopy experiments as mentioned in this paper.
Abstract: The high-pressure local structure of zinc oxide has been studied at room temperature using combined energy-dispersive x-ray-diffraction and x-ray-absorption spectroscopy experiments. The structural parameter u and the lattice-parameter ratio $c/a$ of the wurtzite phase is given as a function of pressure and compared with results from ab initio calculations based on a plane-wave pseudopotential method within the density-functional theory. It is shown that an accurate study of ZnO requires the explicit treatment of the d electrons of Zn as valence electrons. In good agreement with present calculations, our experimental data do not show any variation of $u(P)$ in the low-pressure wurtzite phase between 0 and 9 GPa, pressure at which the phase transition to the rocksalt phase occurs. Moreover, no dramatic modification of the r-phase K-edge position up to $\ensuremath{\sim}20\mathrm{GPa}$ is observed, indicating the absence of metallization. In view of all these results, theoretical models identifying the wurtzite-to-rocksalt transition as an homogeneous path are discussed.
TL;DR: The nonequilibrium order-disorder transition of Axelrod's model of social interaction in several complex networks is analyzed, finding a transition between an ordered homogeneous state and a disordered state in a small-world network.
Abstract: We analyze the nonequilibrium order-disorder transition of Axelrod's model of social interaction in several complex networks. In a small-world network, we find a transition between an ordered homogeneous state and a disordered state. The transition point is shifted by the degree of spatial disorder of the underlying network, the network disorder favoring ordered configurations. In random scale-free networks the transition is only observed for finite size systems, showing system size scaling, while in the thermodynamic limit only ordered configurations are always obtained. Thus, in the thermodynamic limit the transition disappears. However, in structured scale-free networks, the phase transition between an ordered and a disordered phase is restored.
TL;DR: Judging from the structural relations between the inverse hexagonal and the lamellar phase, a cooperative chain reaction of rod formation at the transition midpoint is suggested, which is mainly driven by minimizing the interstitial region.
TL;DR: In this paper, a terpolymer was synthesized by radical polymerization, and the cross-linking of the network was achieved by using a diisocyanate unit.
Abstract: We report the synthesis and physical studies of a liquid crystalline elastomer fiber consisting of two side-chain liquid crystalline acrylates and a nonmesogennic comonomer side group that acts as a reactive site for cross-linking. The terpolymer was synthesized by radical polymerization, and the cross-linking of the network was achieved by using a diisocyanate unit. The fiber formed shows good liquid crystal alignment texture under a cross-polarizer microscope. Thermoelastic response shows strain changes through the nematic−isotropic phase transition of about 30−35%. A retractive force of nearly 300 kPa was measured in the isotropic phase. Static work loop studies show the viscoelastic losses in these materials to be very small. We also present preliminary studies on the effect of doping carbon nanotubes on the induced strain at the nematic−isotropic transition.
TL;DR: Protein function is significantly altered below this transition temperature; a fact that can be exploited to trap normally unstable intermediates in enzyme-catalyzed reactions and stabilize them for periods long enough to permit their characterization by high-resolution protein crystallography.
TL;DR: In this article, phase transitions in ternary caesium lead bromide (CsPbBr3) were studied by means of DSC, TMA and high temperature X-ray diffraction.
Abstract: Phase transitions in ternary caesium lead bromide (CsPbBr3) were studied by means of DSC, TMA and high temperature X-ray diffraction. The samples were prepared from the solution by water evaporation and from the melt. on the DSC curves as well as on the temperature dependence of the lattice constants of CsPbBr3 only two effects were found belonging to the earlier published phase transitions at 88 and 130°C and no further effects. Linear thermal expansion coefficient α of individual CsPbBr3 modifications were calculated from both TMA and high temperature X-ray diffraction. The structural parameters of the room temperature orthorhombic phase were refined and the results are presented. CsPbBr3 prepared from the solution contained about 10% of CsPb2Br5 and so the DSC curve of pure CsPb2Br5 was also measured and an effect at a temperature of 68.5°C was found.
TL;DR: In this paper, an in-situ Raman spectroscopic study was conducted to explore the pressure induced phase transformation of spinel-type ferrite ZnFe2O4.
TL;DR: A new type of cyano-bridged Co-W bimetallic assembly, CsI[{CoII(3-cyanopyridine)2}{WV(CN)8}].H2O was synthesized and exhibited a temperature-induced phase transition and a photoinduced magnetization.
Abstract: A new type of cyano-bridged Co-W bimetallic assembly, CsI[{CoII(3-cyanopyridine)2}{WV(CN)8}].H2O was synthesized. This compound exhibited a temperature-induced phase transition and a photoinduced magnetization. Irradiating with light induced a spontaneous magnetization with a magnetic phase transition temperature at 30 K. This photoinduced magnetization is due to the phase transition from CoIII(LS; S = 0)-WIV(S = 0) to CoII(HS; S = 3/2)-WV(S = 1/2) phases by the irradiation.
TL;DR: In this article, a comparison of magnetic properties of bulk Mn-doped ZnO synthesized under different processing conditions is presented. And the results show that the ferrimagnetic transition in the former sample is attributable to the secondary phase, (Mn,Zn)Mn2O4.
Abstract: Contrasting magnetic properties were obtained from bulk Mn-doped ZnO synthesized under different processing conditions. While a ferrimagnetic phase transition was observable in a Zn0.95Mn0.05O sample processed at 1170 K, no such transition was found for a sample with the same composition processed at 1370 K. The detailed magnetic, structural, and spectroscopic studies of these two samples have revealed that the ferrimagnetic transition in the former sample is attributable to the secondary phase, (Mn,Zn)Mn2O4, in the system. For the latter sample processed at higher temperature, no secondary phase was detected and the major feature of the system remained paramagnetic down to 4 K. The implication of the present results for Mn-doped ZnO thin films is discussed.
TL;DR: In this article, the transformation of a spatially spin-modulated magnetic structure in BiO3 into an ordinary spatially uniform structure of the LaFeO3 orthoferrite in Bi1−xLaxFeO 3 solid solutions is studied.
Abstract: By analyzing the NMR line shape, the transformation of a spatially spin-modulated magnetic structure in BiFeO3 into an ordinary spatially uniform structure of the LaFeO3 orthoferrite in Bi1−x
LaxFeO3 solid solutions is studied. The measurements are made using a spin-echo technique at temperatures of 77 and 4.2 K on ceramics with compositions x=0, 0.1, 0.2, 0.61, 0.9, and 1.0 enriched by the 57Fe isotope. It is shown that the spin-modulated structure disappears near the concentration x=0.2, which corresponds, according to the published data, to the phase transition with a change in the unit-cell symmetry R3c → C222. A formula is obtained describing the NMR absorption line shape for the spin-modulated structure with account of local line-width. Theoretical spectra adequately describe the evolution of the experimental spectrum in the concentration range 0≤x≤0.2. Highly nonuniform local magnetic fields in the intermediate compositions make it impossible to detect NMR signals in a sample with x=0.61. A uniform magnetic structure characterized by a single narrow line arises in the range of existence of a phase with the symmetry Pnma typical of the pure orthoferrite LaFeO3.
TL;DR: This paper describes the applicability of the jamming state diagram, and highlights those regions where the fluid to solid transition is still poorly understood, and presents new data for gelation of colloidal particles with an attractive depletion interaction, providing more insight into the origin of the fluidto solid transition.
Abstract: Attractive colloidal particles can exhibit a fluid to solid phase transition if the magnitude of the attractive interaction is sufficiently large, if the volume fraction is sufficiently high, and if the applied stress is sufficiently small. The nature of this fluid to solid transition is similar for many different colloid systems, and for many different forms of interaction. The jamming phase transition captures the common features of these fluid to solid translations, by unifying the behavior as a function of the particle volume fraction, the energy of interparticle attractions, and the applied stress. This paper describes the applicability of the jamming state diagram, and highlights those regions where the fluid to solid transition is still poorly understood. It also presents new data for gelation of colloidal particles with an attractive depletion interaction, providing more insight into the origin of the fluid to solid transition.