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.     

Optimal Control of the Primary Drying Stage of Freeze Drying of Solutions in Vials Using Variational Calculus

The problem of operating freeze drying of pharmaceutical products in vials placed in trays of a freeze dryer to remove free water (in frozen state) at a minimum time was formulated as an optimal control problem. Two different types of freeze dryer designs were considered. In type I freeze dryer design, upper and lower plate temperatures were controlled together, while in type II freeze dryer design, upper and lower plate temperatures were controlled independently. The heat input to the material being dried and the drying chamber pressure were considered as control variables. Constraints were placed on the system state variables by the melting and scorch temperatures during primary drying stage. Necessary conditions of optimality for the primary drying stage of freeze drying process in vials are derived and presented. Furthermore, an approach for constructing the optimal control policies that would minimize the drying time for the primary drying stage was given. In order to analyze optimal control policy for the primary drying stage of the freeze-drying process in vials, a rigorous multi-dimensional unsteady state mathematical model was used. The theoretical approach presented in this work was applied in the freeze drying of skim milk. Significant reductions in the drying times of primary drying stage of freeze drying process in vials were obtained, as compared to the drying times obtained from conventional operational policies.     

Shallow Linear Action Graphs and their Embeddings

Action calculi, which generalise process calculi such as Petri nets, π-calculusand ambient calculus, have been presented in terms of action graphs. We here offer linear action graphs as a primitive basis for action calculi. This paper presents the category of embeddings of undirected linear action graphs without nesting, using a novel form of graphical reasoning which simplifies some otherwise complex manipulations in regular algebra. The results are adapted in a few lines to directed graphs. This work is part of a long-term search for a uniform behavioural theory for process calculi. Received October 2000 / Accepted in revised form April 2001     

Multiplicative cases from additive cases: Extension of Kolmogorov–Feller equation to parametric Poisson white noise processes

In this paper the response of nonlinear systems driven by parametric Poissonian white noise is examined.As is well known, the response sample function or the response statistics of a system driven by external white noise processes is completely defined. Starting from the system driven by external white noise processes, when an invertible nonlinear transformation is applied, the transformed system in the new state variable is driven by a parametric type excitation. So this latter artificial system may be used as a tool to find out the proper solution to solve systems driven by parametric white noises. In fact, solving this new system, being the nonlinear transformation invertible, we must pass from the solution of the artificial system (driven by parametric noise) to that of the original one (driven by external noise, that is known). Moreover, introducing this invertible nonlinear transformation into the Itô’s rule for the original system driven by external input, one can derive the Itô’s rule for systems driven by a parametric type excitation, directly. In this latter case one can see how natural is the presence of the Wong–Zakai correction term or the presence of the hierarchy of correction terms in the case of normal and Poissonian white noise, respectively. Direct transformation on the Fokker–Planck and on the Kolmogorov–Feller equation for the case of parametric input are found.     

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.     

A Refinement Calculus for Shared-Variable Parallel and Distributed Programming

Parallel computers have not yet had the expected impact on mainstream computing. Parallelism adds a level of complexity to the programming task that makes it very error-prone. Moreover, a large variety of very different parallel architectures exists. Porting an implementation from one machine to another may require substantial changes. This paper addresses some of these problems by developing a formal basis for the design of parallel programs in the form of a refinement calculus. The calculus allows the stepwise formal derivation of an abstract, low-level implementation from a trusted, high-level specification. The calculus thus helps structuring and documenting the development process. Portability is increased, because the introduction of a machine-dependent feature can be located in the refinement tree. Development efforts above this point in the tree are independent of that feature and are thus reusable. Moreover, the discovery of new, possibly more efficient solutions is facilitated. Last but not least, programs are correct by construction, which obviates the need for difficult debugging. Our programming/specification notation supports fair parallelism, shared-variable and message-passing concurrency, local variables and channels. The calculus rests on a compositional trace semantics that treats shared-variable and message-passing concurrency uniformly. The refinement relation combines a context-sensitive notion of trace inclusion and assumption-commitment reasoning to achieve compositionality. The calculus straddles both concurrency paradigms, that is, a shared-variable program can be refined into a distributed, message-passing program and vice versa. Received July 2001 / Accepted in revised form May 2002     

弹丸外弹道优化设计初始点的选取

在弹丸外弹道优化设计中,需对优化设计变量赋于初始值.初始值选取得如何,对整个优化计算所耗机时、迭代点收敛到哪个极值点上等等,影响很大.该文对初始值的选取原则、选取方法等作了讨论,所得结果也可作为对弹丸主要结构参数选优的预估.