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Displacement-Current Phase Tomography for Water-Dominated Two-Phase Flow Velocimetry
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Single-Phase Lithiation and Delithiation of Simferite Compunds Li(Mg,Mn,Fe)PO4
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Pressure-dependence of the phase transitions and thermal expansion in zirconium and hafnium pyrovanadate
Low or negative thermal expansion (NTE) has been previously observed in members of the ZrP{sub 2}O{sub 7} family at temperatures higher than their order-disorder phase transitions. The thermoelastic properties and phase behavior of the low temperature superstructure and high temperature negative thermal expansion phases of ZrV{sub 2}O{sub 7} and HfV{sub 2}O{sub 7} were explored via in situ variable temperature/pressure powder x-ray diffraction measurements. The phase transition temperatures of ZrV{sub 2}O{sub 7} and HfV{sub 2}O{sub 7} exhibited a very strong dependence on pressure (∼700 K GPa), with moderate compression suppressing the formation of their NTE phases below 513 K. Compression also reduced the magnitude of the coefficients of thermal expansion in both the positive and negative thermal expansion phases. Additionally, the high temperature NTE phase of ZrV{sub 2}O{sub 7} was found to be twice as stiff as the low temperature positive thermal expansion superstructure (24 and 12 GPa respectively). - Graphical abstract: The temperature at which ZrV{sub 2}O{sub 7} transforms to a phase displaying negative thermal expansion is strongly pressure dependent. The high temperature form of ZrV{sub 2}O{sub 7} is elastically stiffer than the low temperature form. - Highlights: • The order-disorder phase transition temperatures in ZrV{sub 2}O{sub 7} and HfV{sub 2}O{sub 7} are strongly pressure dependent (∼700 K.GPa). • The high temperature (disordered) phase of ZrV{sub 2}O{sub 7} is much stiffer than the ambient temperature (ordered) phase. • Compression reduces the magnitude of the negative thermal expansion in the high temperature phase of ZrV{sub 2}O{sub 7}.
Grating-based x-ray differential phase contrast imaging with twin peaks in phase-stepping curves—phase retrieval and dewrapping
Purpose: X-ray differential phase contrast CT implemented with Talbot interferometry employs phase-stepping to extract information of x-ray attenuation, phase shift, and small-angle scattering. Since inaccuracy may exist in the absorption grating G{sub 2} due to an imperfect fabrication, the effective period of G{sub 2} can be as large as twice the nominal period, leading to a phenomenon of twin peaks that differ remarkably in their heights. In this work, the authors investigate how to retrieve and dewrap the phase signal from the phase-stepping curve (PSC) with the feature of twin peaks for x-ray phase contrast imaging. Methods: Based on the paraxial Fresnel–Kirchhoff theory, the analytical formulae to characterize the phenomenon of twin peaks in the PSC are derived. Then an approach to dewrap the retrieved phase signal by jointly using the phases of the first- and second-order Fourier components is proposed. Through an experimental investigation using a prototype x-ray phase contrast imaging system implemented with Talbot interferometry, the authors evaluate and verify the derived analytic formulae and the proposed approach for phase retrieval and dewrapping. Results: According to theoretical analysis, the twin-peak phenomenon in PSC is a consequence of combined effects, including the inaccuracy in absorption grating G{sub 2}, mismatch between phase grating and x-ray source spectrum, and finite size of x-ray tube’s focal spot. The proposed approach is experimentally evaluated by scanning a phantom consisting of organic materials and a lab mouse. The preliminary data show that compared to scanning G{sub 2} over only one single nominal period and correcting the measured phase signal with an intuitive phase dewrapping method that is being used in the field, stepping G{sub 2} over twice its nominal period and dewrapping the measured phase signal with the proposed approach can significantly improve the quality of x-ray differential phase contrast imaging in both radiograph and CT. Conclusions: Using the phase retrieval and dewrapping methods proposed to deal with the phenomenon of twin peaks in PSCs and phase wrapping, the performance of grating-based x-ray differential phase contrast radiography and CT can be significantly improved.
Arterial Phase CTA Replacement by a Virtual Arterial Phase Reconstruction from a Venous Phase CTA: Preliminary Results Using Detector-Based Spectral CT
Objective: To assess the feasibility of creating virtual monoenergetic arterial images from venous phase CTA obtained on a detector-based spectral CT scanner and quantitatively compare the signal-to-noise (SNR) and contrast-to-noise (CNR) ratios of the major arteries to those on polyenergetic true arterial phase images. Methods: In this retrospective study, 23 patients (15 men and 8 women, median age 68 years) who underwent triple-phase CTA on a spectral CT scanner for aortic endograft surveillance were included. The venous phase CTA of each study was reconstructed to generate virtual monoenergetic images at various keV, which were compared to true arterial phase CTA images. SNR and CNR of the aortoiliac arteries were evaluated by testing the differences in means and non-inferiority of virtual arterial images to true arterial images. Effective radiation dose was calculated for standard triple-phase studies in comparison with dual-phase and single-phase spectral CT examinations. Results: Virtual monoenergetic images demonstrated non-inferior (P < 0.05) arterial SNR and CNR compared to true arterial images at 40 keV for all arteries, at 45–50 keV for the thoracic and suprarenal aorta, and at 45–55 keV for the infrarenal aorta and iliac arteries. Significantly higher (P < 0.05) arterial attenuation was obtained at 40 keV for the aortoiliac arteries. Mean effective dose for conventional triple-phase studies was 32.5 mSv in comparison with 21.3 mSv for dual-phase non-contrast/venous scans and 11.3 mSv for single-phase venous scans. Conclusions: Detector-based spectral CT enables creation of virtual monoenergetic arterial images from venous phase CTA with equivalent and in some cases significantly higher SNR/CNR of major arteries compared to images from true arterial phase polyenergetic CTA.
WEC-SIM Phase 1 Validation Testing -- Numerical Modeling of Experiments: Preprint
The Wave Energy Converter Simulator (WEC-Sim) is an open-source code jointly developed by Sandia National Laboratories and the National Renewable Energy Laboratory. It is used to model wave energy converters subjected to operational and extreme waves. In order for the WEC-Sim code to be beneficial to the wave energy community, code verification and physical model validation is necessary. This paper describes numerical modeling of the wave tank testing for the 1:33-scale experimental testing of the floating oscillating surge wave energy converter. The comparison between WEC-Sim and the Phase 1 experimental data set serves as code validation. This paper is a follow-up to the WEC-Sim paper on experimental testing, and describes the WEC-Sim numerical simulations for the floating oscillating surge wave energy converter.
Phases, phase equilibria, and phase rules in low-dimensional systems
We present a unified approach to thermodynamic description of one, two, and three dimensional phases and phase transformations among them. The approach is based on a rigorous definition of a phase applicable to thermodynamic systems of any dimensionality. Within this approach, the same thermodynamic formalism can be applied for the description of phase transformations in bulk systems, interfaces, and line defects separating interface phases. For both lines and interfaces, we rigorously derive an adsorption equation, the phase coexistence equations, and other thermodynamic relations expressed in terms of generalized line and interface excess quantities. As a generalization of the Gibbs phase rule for bulk phases, we derive phase rules for lines and interfaces and predict the maximum number of phases than may coexist in systems of the respective dimensionality.
Symmetry of reentrant tetragonal phase in Ba 1 - x Na x Fe 2 As 2 : Magnetic versus orbital ordering mechanism
Magnetostructural phase transitions in Ba 1-x A x Fe 2 As 2 (A = K, Na) materials are discussed for both magnetically and orbitally driven mechanisms, using a symmetry analysis formulated within the Landau theory of phase transitions. Both mechanisms predict identical orthorhombic space-group symmetries for the nematic and magnetic phases observed over much of the phase diagram, but they predict different tetragonal space-group symmetries for the newly discovered reentrant tetragonal phase in Ba 1-x Na x Fe 2 As 2 (x similar to 0.24-0.28). In a magnetic scenario, magnetic order with moments along the c axis, as found experimentally, does not allow any type of orbital order, but in an orbital scenario, we have determined two possible orbital patterns, specified by P4/mnc1' and I4221' space groups, which do not require atomic displacements relative to the parent I4/mmm1' symmetry and, in consequence, are indistinguishable in conventional diffraction experiments. We demonstrate that the three possible space groups are, however, distinct in resonant x-ray Bragg diffraction patterns created by Templeton & Templeton scattering. This provides an experimental method of distinguishing between magnetic and orbital models.
Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1−x)Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} piezoceramics
Results of the room temperature structural studies on (1−x)Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} ceramics using Rietveld analysis of the powder x-ray diffraction data in the composition range 0.28 ≤ x ≤ 0.45 are presented. The morphotropic phase boundary region exhibits coexistence of monoclinic (space group Pm) and tetragonal (space group P4 mm) phases in the composition range 0.33 ≤ x ≤ 0.40. The structure is nearly single phase monoclinic (space group Pm) in the composition range 0.28 ≤ x ≤ 0.32. The structure for the compositions with x ≥ 0.45 is found to be predominantly tetragonal with space group P4 mm. Rietveld refinement of the structure rules out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier authors. The Rietveld structure analysis for the sample x = .35 calcined at various temperatures reveals that phase fraction of the coexisting phases in the morphotropic phase boundary region varies with grain size. The structural parameters of the two coexisting phases also change slightly with changing grain size.
In situ phase transformation of Laves phase from Chi-phase in Mo-containing Fe–Cr–Ni alloys
For an in situ phase transformation of the Chi (χ) phase to the Laves phase we observed in a Fe–Cr–Ni–Mo model alloy. The morphology, composition, and crystal structure of the χ and Laves phases, and their orientation relationship with the matrix austenite phase were investigated. The resulted Laves phase has larger lattice mismatch with the matrix phase than the χ phase, leading to the increase of local strain fields and the formation of dislocations. Moreover, this finding is helpful to understand the precipitation behavior of the intermetallic phases in the Mo-containing austenitic stainless steels.
Solid solubility, phase transitions, thermal expansion, and compressibility in Sc[subscript 1;#8722;x]A[subscript x]F[subscript 3]
Abstract not provided
Almost perfect in-phase and anti-phase chaotic and periodic phase synchronization in large arrays of diode lasers
In this paper we study phase synchronization in large arrays of weakly coupled single mode semiconductor laser diodes. We show that if the coupling topology is chosen appropriately, the laser array exhibits robust phase synchrony (including chaotic and non-chaotic phase synchrony). Furthermore, one can define coupling topologies that lead to chaotic anti-phase synchronization. To the best of our knowledge, chaotic anti-phase synchronization has not been observed in large arrays of coupled nonlinear oscillators. Additionally, when diodes are coupled via a decayed non-local coupling scheme, the leading spatial mode can be stable. This leads to an almost-perfect phase synchronous state where the phases are synchronized, but the system is not set exactly on the synchronization manifold. This almost-perfect phase synchronous state is robust to noise and frequency disorder and can be realized under periodic (fixed-intensity limit cycle) continuous-wave and chaotic behavior. The presented result is an example of the broader phenomenon of linear transverse mode selection taking place in a coupled oscillator system with nonlinear dynamics.
Structure of nanoscale-pitch helical phases: Blue phase and twist-bend nematic phase resolved by resonant soft X-ray scattering
Periodic structures of phases with orientational order of molecules but homogenous electron density distribution: a short pitch cholesteric phase, blue phase and twist-bend nematic phase, were probed by resonant soft X-ray scattering (RSoXS) at the carbon K-edge. The theoretical model shows that in the case of a simple heliconical nematic structure, two resonant signals corresponding to the full and half pitch band should be present, while only the full pitch band is observed experimentally. This suggests that the twist-bend nematic phase has a complex structure with a double-helix built of two interlocked, shifted helices. We confirm that the helical pitch in the twist-bend nematic phase is in a 10 nm range for both the chiral and achiral materials. We also show that the symmetry of the blue phase can be unambiguously determined through a resonant enhancement of the X-ray diffraction signals, by including polarization effects, which are found to be an important indicator in phase structure determination.
Multiphase phase-field approach for solid–solid phase transformations via propagating interfacial phase in HMX
In this study, a thermodynamically consistent multiphase phase-field theory has been formulated to describe temperature-induced solid–solid phase transformations via an interfacial phase. This theory satisfies all thermodynamic equilibrium and stability conditions. It allows us to formulate the analytical solutions of the interface profile, energy, width, and velocity for each of the propagating solid–melt and solid–solid interfaces. The formation of the intermediate melt during solid–solid phase transformation has been studied hundreds of degrees below melting temperature in the HMX energetic crystal. The effect of the penalizing term in the phase-field model and two nanoscale material parameters on the appearance and degree of disordering of intermediate melt has been analyzed for the non-equilibrium interface. The developed approach is applicable to phase transitions in geological, pharmaceutical, ferroelectric, colloidal, and superhard materials where phase transformations occur via the intermediate phase.
Phase-field modeling of diffusional phase behaviors of solid surfaces: A case study of phase-separating Li X FePO 4 electrode particles
In this paper, we present a comprehensive phase-field model for simulating diffusion-mediated kinetic phase behaviors near the surface of a solid particle. The model incorporates elastic inhomogeneity and anisotropy, diffusion mobility anisotropy, interfacial energy anisotropy, and Cahn–Hilliard diffusion kinetics. The free energy density function is formulated based on the regular solution model taking into account the possible solute-surface interaction near the surface. The coherency strain energy is computed using the Fourier-spectral iterative-perturbation method due to the strong elastic inhomogeneity with a zero surface traction boundary condition. Employing a phase-separating Li X FePO 4 electrode particle for Li-ion batteries as a model system, we perform parametric three-dimensional computer simulations. The model permits the observation of surface phase behaviors that are different from the bulk counterpart. For instance, it reproduces the theoretically well-established surface modes of spinodal decomposition of an unstable solid solution: the surface mode of coherent spinodal decomposition and the surface-directed spinodal decomposition mode. We systematically investigate the influences of major factors on the kinetic surface phase behaviors during the diffusional process. Finally, our simulation study provides insights for tailoring the internal phase microstructure of a particle by controlling the surface phase morphology.