Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates

In this work, the composition-dependent point defect types and formation energies of RE₂Hf₂O₇ (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles calculations. The possible defect reactions and dominant defect complexes under stoichiometric and non-stoichiometric conditions are revealed. It is found that O Frenkel pairs are the predominant defect in stoichiometric pyrochlore hafnates. Hf-RE cation anti-site defects, accompanied by RE vacancies and/or oxygen interstitials, are stable in the non-stoichiometric case of HfO₂ excess. On the other hand, RE-Hf anti-site defects together with oxygen vacancies and/or RE interstitials are preferable in the case of RE₂O₃ excess. The energy barriers for the migration along the V_O48f - V_O48f pathway of pyrochlore hafnates were calculated to be between 0.81 eV and 0.89 eV. Based on these results, a defect engineering strategy is proposed and the pyrochlore hafnates investigated here are predicted to exhibit potential oxygen ionic conductivity.     

Validation of performance of real-time kinematic PPP. A possible tool for deformation monitoring

Structural failures (bridge or building collapses) and geohazards (landslides, ground subsidence or earthquakes) are worldwide problems that often lead to significant economic and loss of life. Monitoring the deformation of both natural phenomena and man-made structures is a major key to assessing structural dynamic responses. Actually, this monitoring process is under real-time demand for developing warning and alert systems.One of the most used techniques for real-time deformation monitoring is the Global Navigation Satellite System (GNSS) real-time procedure, where the relative positioning approach, using a well-known reference station, has been applied.This study was conducted to evaluate the actual quality of the real-time kinematic Precise Point Positioning (PPP) GNSS solution for deformation monitoring, where it can be concluded that a promise tool is under development and should be taken into account on actual and near future real-time deformation monitoring studies and applications.     

Thermal and transport properties of as-grown Ni-rich TiNi shape memory alloys

Electrical resistivity, Seebeck coefficient, specific heat and thermal conductivity measurements on the Ti_50−xNi_50+x (x = 0.0–1.6 at.%) shape memory alloys are performed to investigate their thermal and transport properties. In this study, anomalous features are observed in both cooling and heating cycles in all measured physical properties of the slightly Ni-rich TiNi alloys (x ≤ 1.0), corresponds to the transformation between the B19′ martensite and B2 austenite phases. Besides, the transition temperature is found to decrease gradually with increasing Ni content, and the driving force for the transition is also found to diminish slowly with the addition of excess Ni, as revealed by specific heat measurements. While the signature of martensitic transformation vanishes for the Ni-rich TiNi alloys with x ≥ 1.3, the characteristics of strain glass transition start to appear. The Seebeck coefficients of these TiNi alloys were found to be positive, suggesting the hole-type carriers dominate the thermoelectric transport. From the high-temperature Seebeck coefficients, the estimated value of Fermi energy ranges from ∼1.5 eV (Ti_48.4Ni_51.6) to ∼2.1 eV (Ti₅₀Ni₅₀), indicating the metallic nature of these alloys. In addition, the thermal conductivity of the slightly Ni-rich TiNi alloys with x ≤ 1.0 shows a distinct anomalous feature at the B19′ → B2 transition, likely due to the variation in lattice thermal conductivity.     

Evolution of internal cracks and residual stress during deposition of TBC

Thermal barrier coating (TBCs) are ceramic coatings that are deposited on metallic substrates to provide high thermal resistance. Residual stress is among the critical factors that affect the performance of TBCs. It evolves during the process of coating deposition and in-service loading. High residual stresses result in significant cracking and premature delamination of the TBC layer. In the present study, a hybrid computational approach is used to predict the evolution of internal cracks and residual stress in TBC. Smooth particle hydrodynamics (SPH) is first used to model the deposition of yttria-stabilized zirconia (YSZ) layer that contains various interfaces and micropores on a steel substrate. Then, three-dimensional (3D) finite element analysis is utilized to predict the evolution of internal cracks and residual stress in the ceramic coating layer. It is found that multiple cracks emerge during the solidification of the coating layer due to the development of high tensile (quenching) stresses. The cracking density is higher at regions near the coating interface. It is also found that compressive (residual) stresses are developed when the deposited coating is cooled to room temperature. The residual stress state is equibiaxial and nonlinear across the thickness/width of the TBC layer. The residual stress profile predicted compares well with that of hole drilling experiments.     

Synthesis,structure, stability and phase diagrams of selected bimetallic silver- and nickel-based nanoparticles

An overview of the research on silver-based (Ag-Sn, Ag-Cu, Ag-Ni) and nickel-based (Cu-Ni, Au-Ni, Ni-Pt) bimetallic nanoparticles is presented. The investigated nanoparticles in this review are formed by elements that represent an important group of metals revealing fcc lattice under macro-sized conditions (with the exception of Sn). The effects of surface stabilizing layer of the alloy nanoparticles are also described. Our experience with synthesis, characterization and stabilization of alloy nanoparticles is summarized. The development of the nanoparticle synthesis represents an important and mandatory part of the experimental nanoalloy research. Main synthetic routes under focus are the low temperature borohydride reduction method, the high temperature oleylamine synthesis, and the high pressure method in autoclave. The subsequent structural studies are focused on both nanoparticle core and outer stabilizing layer. The cores of the nanoparticles are studied mainly by electron microscopy techniques. The phase stability of the nanoparticle core is investigated by thermal analysis. The Knudsen effusion mass spectrometry was applied for studies of stabilizing organic molecules that can be found on the surface of the nanoparticles. The presented overview of the experimental results is complemented by thermodynamic calculations of phase diagrams by the CALPHAD method.     

Onset of buoyancy-driven convection in melting from below

When a horizontal homogeneous solid is melted from below, convection can be induced in a thermally unstable melt layer. In this study the onset of buoyancy-driven convection during time-dependent melting is investigated by using similarly transformed disturbance equations. The critical Rayleigh numbers based on the melt-layer thickness are found numerically for various conditions. For small superheats, the present predictions approach the well known results of classical Rayleigh-Bénard problems, that is, critical Rayleigh numbers are located between 1,296 and 1,708, regardless of the Prandtl number. However, for high superheats the critical Rayleigh number increases with an increase in phase change rate but with decrease in Prandtl number.     

关于沥青针入度指数

介绍了沥青针入度指数(PI)的由来和计算、使用意义、局限性和分析。     

Modelling and analysis of 3-D arrangements of particles by point processes with examples of application to biological data obtained by confocal scanning light microscopy

Within the concept of point processes, a review is presented of quantities which can be used in studies of three-dimensional (3-D) aggregates of particles. Suitable characteristics and estimators are given for both unmarked and marked point processes. To demonstrate the feasibility of such quantitative approaches, an application in histology, dealing with 3-D arrangements of cell nuclei in rat liver, is described. Using a confocal scanning light microscope, 3-D images are recorded and image analysis used to obtain the coordinates of the centroid, together with the volume and DNA content, of each cell nucleus. Examples of results are given, using both unmarked and marked point processes. In the latter case, cell type, nuclear volume and ploidy group are suitable marks.     

ON THE MODELLING OF PARTICLE-BODY INTERACTIONS IN STOKES FLOWS INVOLVING A SPHERE AND CIRCULAR DISC OR A TORUS AND CIRCULAR CYLINDER USING POINT SINGULARITIES

Few exact solutions of the Stokes equations are known, even for steady or quasi-steady flows, involving finite sized bodies, and numerical techniques generally have to be resorted to for finding solutions. However, quite effective modelling of flows involving complicated boundary geometries is possible using the three-dimensional Stokeslet and rotlet point singularities. Two problems are studied in detail. In the first example, exact solutions for the three-dimensional Stokeslet and rotlet placed axisymmetrically along the axis of a circular disc are found and combined with Brenner's first order interaction formulae to determine the effect of the presence of the disc on the force and torque acting on a particle whose dimensions are small compared with its distance from the disc. The results are compared with those of a full numerical integration of the Stokes equations for a sphere translating towards a disc. In the second example, Brenner's first order wall correction theory is applied to the motion of a particle in a circular cylinder using the exact solutions for a torus translating or rotating in isolation. The theoretical predictions for the drag on a torus settling symmetrically in a circular cylinder are compared with those determined experimentally.