Electric field-induced phase transitions in Li-modified Na[subscript 0.5]K[subscript 0.5]NbO[subscript 3] at the polymorphic phase boundary
Abstract not provided
Iamsasri, Thanakorn↗
SEARCH · Engineering Papers
Results for “Phase transition”
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Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability
Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. Mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide
Abstract not provided
Whitfield, P. S.↗
Critical Properties of the Anisotropic Ising Model with Competitive Interactions in the Region of a Phase Transition from the Modulated Phase to the Paramagnetic One
Monte Carlo methods are used to study the anisotropic Ising model with competing interactions in the region of the phase transition from the modulated to the paramagnetic phase. Using histogram analysis of Monte Carlo data and the theory of finite-size scaling, it is shown that the transition from the modulated state to the paramagnetic one is a second-order phase transition. The critical parameters and temperatures of phase transitions in this region are calculated. It is shown that the modulated–paramagnetic phase transition cannot be described within the framework of the known universality classes of critical behavior.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Pressure-Induced Structural Phase Transition in CeNi: X-ray and Neutron Scattering Studies and First-Principles Calculations
The pressure-induced structural phase transition in the intermediate-valence compound CeNi has been investigated by x-ray and neutron powder diffraction techniques. It is shown that the structure of the pressure-induced CeNi phase (phases) can be described in terms of the Pnma space group. Equations of state for CeNi on both sides of the phase transition are derived and an approximate P-T phase diagram is suggested for P<8 GPa and T<300 K. The observed Cmcm→Pnma structural transition is then analyzed using density functional theory calculations, which successfully reproduce the ground state volume, the phase transition pressure, and the volume collapse associated with the phase transition.
36 MATERIALS SCIENCE↗
Structural evolution of epitaxial SrCoO{sub x} films near topotactic phase transition
Control of oxygen stoichiometry in complex oxides via topotactic phase transition is an interesting avenue to not only modifying the physical properties, but utilizing in many energy technologies, such as energy storage and catalysts. However, detailed structural evolution in the close proximity of the topotactic phase transition in multivalent oxides has not been much studied. In this work, we used strontium cobaltites (SrCoO{sub x}) epitaxially grown by pulsed laser epitaxy (PLE) as a model system to study the oxidation-driven evolution of the structure, electronic, and magnetic properties. We grew coherently strained SrCoO{sub 2.5} thin films and performed post-annealing at various temperatures for topotactic conversion into the perovskite phase (SrCoO{sub 3-δ}). We clearly observed significant changes in electronic transport, magnetism, and microstructure near the critical temperature for the topotactic transformation from the brownmillerite to the perovskite phase. Nevertheless, the overall crystallinity was well maintained without much structural degradation, indicating that topotactic phase control can be a useful tool to control the physical properties repeatedly via redox reactions.
36 MATERIALS SCIENCE↗
Mesoscale evolution of voids and microstructural changes in HMX-based explosives during heating through the β-δ phase transition
HMX-based explosives LX-10 and PBX-9501 were heated through the β-δ phase transition. Ultra-small angle x-ray scattering (USAXS) and molecular diffraction were simultaneously recorded as the HMX was heated. Mesoscale voids and structure dramatically change promptly with the β-δ phase transition, rather than with other thermal effects. Also, x-ray induced damage, observed in the USAXS, occurs more readily at elevated temperatures; as such, the dose was reduced to mitigate this effect. Optical microscopy performed during a similar heating cycle gives an indication of changes on longer length scales, while x-ray microtomography, performed before and after heating, shows the character of extensive microstructural damage resulting from the temperature cycle and solid-state phase transition.
36 MATERIALS SCIENCE↗
Anharmonicity-induced first-order isostructural phase transition of zirconium under pressure
We have performed a detailed x-ray diffraction structural study of Zr under pressure and unambiguously identify the existence of a first-order isostructural bcc-to-bcc phase transition near 58 GPa. First-principles quantum molecular dynamics calculations support the existence of this phase transition, in excellent agreement with experimental results, triggered by anharmonic effects. Lastly, our results highlight the potential ubiquity of anharmonically driven isostructural transitions within the periodic table under pressure and call for follow-up experimental and theoretical studies.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Pressure-induced fcc to hcp phase transition in Ni-based high entropy solid solution alloys
A pressure-induced phase transition from the fcc to a hexagonal close-packed (hcp) structure was found in NiCoCrFe solid solution alloy starting at 13.5 GPa. The phase transition is very sluggish and the transition did not complete at ~40 GPa. The hcp structure is quenchable to ambient pressure. Only a very small amount (<5%) of hcp phase was found in the isostructural NiCoCr ternary alloy up to the pressure of 45 GPa and no obvious hcp phase was found in NiCoCrFePd system till to 74 GPa. Ab initio Gibbs free energy calculations indicated the energy differences between the fcc and the hcp phases for the three alloys are very small, but they are sensitive to temperature. The critical transition pressure in NiCoCrFe varies from ~1 GPa at room temperature to ~6 GPa at 500 K.
36 MATERIALS SCIENCE↗
Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks
Cooperative adsorption of gases by porous frameworks, which permits more efficient uptake and removal than the more usual noncooperative (Langmuir-type) adsorption, usually results from a phase transition of the framework. Here in this paper, we show how cooperativity emerges in the class of metal-organic frameworks mmen-M 2 (dobpdc) in the absence of a phase transition. Our study provides a microscopic understanding of the emergent features of cooperative binding, including the position, slope, and height of the isotherm step, and indicates how to optimize gas storage and separation in these materials.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Kinetics of the B1-B2 phase transition in KCl under rapid compression
Kinetics of the B1-B2 phase transition in KCl has been investigated under various compression rates (0.03–13.5 GPa/s) in a dynamic diamond anvil cell using time-resolved x-ray diffraction and fast imaging. Our experimental data show that the volume fraction across the transition generally gives sigmoidal curves as a function of pressure during rapid compression. Based upon classical nucleation and growth theories (Johnson-Mehl-Avrami-Kolmogorov theories), we propose a model that is applicable for studying kinetics for the compression rates studied. The fit of the experimental volume fraction as a function of pressure provides information on effective activation energy and average activation volume at a given compression rate. The resulting parameters are successfully used for interpreting several experimental observables that are compression-rate dependent, such as the transition time, grain size, and over-pressurization. The effective activation energy (Q{sub eff}) is found to decrease linearly with the logarithm of compression rate. When Q{sub eff} is applied to the Arrhenius equation, this relationship can be used to interpret the experimentally observed linear relationship between the logarithm of the transition time and logarithm of the compression rates. The decrease of Q{sub eff} with increasing compression rate results in the decrease of the nucleation rate, which is qualitatively in agreement with the observed change of the grain size with compression rate. The observed over-pressurization is also well explained by the model when an exponential relationship between the average activation volume and the compression rate is assumed.
36 MATERIALS SCIENCE↗
High pressure Laue diffraction and its application to study microstructural changes during the α → β phase transition in Si
Here, an approach using polychromatic x-ray Laue diffraction is described for studying pressure induced microstructural changes of materials under pressure. The advantages of this approach with respect to application of monochromatic x-ray diffraction and other techniques are discussed. Experiments to demonstrate the applications of the method have been performed on the α → β phase transition in Si at high pressures using a diamond anvil cell. We present the characterization of microstructures across the α–β phase transition, such as morphology of both the parent and product phases, relative orientation of single-crystals, and deviatoric strains. Subtle inhomogeneous strain of the single-crystal sample caused by lattice rotations becomes detectable with the approach.
47 OTHER INSTRUMENTATION↗
Pressure-induced phase transitions in rubidium azide: Studied by in-situ x-ray diffraction
We present the in-situ X-ray diffraction studies of RbN{sub 3} up to 42.0 GPa at room temperature to supplement the high pressure exploration of alkali azides. Two pressure-induced phase transitions of α-RbN{sub 3} → γ-RbN{sub 3} → δ-RbN{sub 3} were revealed at 6.5 and 16.0 GPa, respectively. During the phase transition of α-RbN{sub 3} → γ-RbN{sub 3}, lattice symmetry decreases from a fourfold to a twofold axis accompanied by a rearrangement of azide anions. The γ-RbN{sub 3} was identified to be a monoclinic structure with C2/m space group. Upon further compression, an orthogonal arrangement of azide anions becomes energetically favorable for δ-RbN{sub 3}. The compressibility of α-RbN{sub 3} is anisotropic due to the orientation of azide anions. The bulk modulus of α-RbN{sub 3} is 18.4 GPa, quite close to those of KN{sub 3} and CsN{sub 3}. By comparing the phase transition pressures of alkali azides, their ionic character is found to play a key role in pressure-induced phase transitions.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Large isotropic negative thermal expansion above a structural quantum phase transition
Perovskite structured materials contain myriad tunable ordered phases of electronic and magnetic origin with proven technological importance and strong promise for a variety of energy solutions. An always-contributing influence beneath these cooperative and competing interactions is the lattice, whose physics may be obscured in complex perovskites by the many coupled degrees of freedom which makes these systems interesting. Here we report signatures of an approach to a quantum phase transition very near the ground state of the nonmagnetic, ionic insulating, simple cubic perovskite material ScF3 and show that its physical properties are strongly effected as much as 100 K above the putative transition. Spatial and temporal correlations in the high-symmetry cubic phase determined using energy- and momentum-resolved inelastic X-ray scattering as well as X-ray diffraction reveal that soft mode, central peak and thermal expansion phenomena are all strongly influenced by the transition.
Handunkanda, Sahan Uddika↗
Pressure-induced phase transition and phonon softening in h-Lu0.6Sc0.4FeO3
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99 GENERAL AND MISCELLANEOUS↗