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.     

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.     

Apollonius tenth problem via radius adjustment and Möbius transformations

The Apollonius Tenth Problem, as defined by Apollonius of Perga circa 200 B.C., has been useful for various applications in addition to its theoretical interest. Even though particular cases have been handled previously, a general framework for the problem has never been reported. Presented in this paper is a theory to handle the Apollonius Tenth Problem by characterizing the spatial relationship among given circles and the desired Apollonius circles. Hence, the given three circles in this paper do not make any assumption regarding on the sizes of circles and the intersection/inclusion relationship among them. The observations made provide an easy-to-code algorithm to compute any desired Apollonius circle which is computationally efficient and robust.     

Plastic deformation of bcc metal thin foils without dislocation

Heavy plastic deformation of fcc metal thin foils to fracture has been found recently to proceed without involving dislocations, and it results in the formation of high density of vacancy clusters. Thin foil specimens of bcc metals such as V and Mo were plastically deformed to fracture in in situ elongation experiments under an electron microscope. Morphology of thinning and fracture was found to be similar to fcc metals, and no dislocation was observed during heavy deformation. Electron diffraction analysis at the tip of a crack during deformation confirmed a large elastic deformation of up to 5%. Unlike in fcc metal thin foil specimens, point defect clusters were not observed near fractured tips. This difference is attributed to the difference in vacancy reaction, though the deformation in bcc metals without dislocation most likely does produce vacancies.     

Decision Support System for Stakeholder Involvement

Stakeholder involvement is essential to the development of a total maximum daily load (TMDL) and its implementation plan. A tool, beyond a simulation model, is needed to support the decision making process that requires negotiation and compromise among stakeholders. The decision support system (DSS) described herein has a TMDL module to calculate various combinations of point and nonpoint loads that can meet the water quality criteria. Its Consensus module allows stakeholders to formulate, evaluate, modify, and vote for alternatives. The DSS displays bar charts for pollution loads from various subwatersheds and attributes the nonpoint loads to land uses. The water quality consequence of the pollution loads is output in maps, which shows sections meeting criteria in green and those not in red. The DSS requires a front end effort of site specific adaptation and model calibration. An Internet-based stakeholder process was developed to allow more concerned citizens to participate in management decisions.