Thermodynamic modeling of the C–Pu–U system

The ternary C–Pu–U system is thermodynamically assessed to pursue the development of a thermodynamic database for future nuclear fuels. The substitution model was used for the liquid phase, and a two-sublattice model for the PuC–UC monocarbide, PuC₂–UC₂ dicarbide and Pu₂C₃–U₂C₃ sesquicarbide phases. Ternary interaction parameters were adjusted on the experimental information for the phase relationships. Isoplethal and isothermal ternary sections, as well as some liquidus temperatures are calculated and compared with the experimental data. The overall agreement is discussed, and shows that experimental uncertainties still remain.     

Thermodynamic modeling of the Sn–V binary system

The Sn–V binary system was thermodynamically modeled using the CALPHAD approach combined with first-principles calculations. The predicted Gibbs free energy of the end-members in sublattice models of “ V ₃Sn” phase by the first-principles calculations was used to describe the lattice stabilities. A set of thermodynamic parameters for the Sn–V system was obtained using the PanOptimizer program in Pandat software. The calculated phase diagram and thermodynamic properties agree well with the reported experimental data.     

First-principles calculations assisted thermodynamic assessment of the Pt–Ga–Ge ternary system

The Pt–Ga–Ge ternary system was thermodynamically assessed by the CALPHAD (CALculaton of PHAse Diagram) approach with help of first-principles calculations. Firstly, the formation enthalpies of the Pt–Ge and Pt–Ga compounds were calculated by the first-principles method. Subsequently, the Pt–Ge system was modeled and the Pt–Ga system was re-assessed. The solution phases, Liquid, Diamond_A4 (Ge) and Fcc_A1 (Pt), were modeled as substitutional solutions, of which the excess Gibbs energy was formulated with the Redlich–Kister polynomial. The binary intermetallics, Ga₇Pt₃, Ga₂Pt, Ga₃Pt₂, GaPt, Ga₃Pt₅, GaPt₂, Ge₂Pt, Ge₃Pt₂, GePt, Ge₂Pt₃ and GePt₂, were treated as stoichiometric compounds while GePt₃ was described with a two-sublattice model. Finally, based on the currently optimized Pt–Ga and Pt–Ge binary systems along with the already assessed Ga–Ge system, phase equilibria in the Pt–Ga–Ge ternary system were extrapolated. The isothermal sections at 473 K, 973 K and 1073 K of the ternary system were calculated, showing good agreement with the experimental data. In addition, the liquidus projection of the Pt–Ga–Ge ternary system was predicted using the obtained model parameters.     

A thermodynamic description of the Al–Ca–Zn ternary system

A comprehensive thermodynamic database of the Al–Ca–Zn ternary system is presented for the first time. Critical assessment of the experimental data and re-optimization of the binary Al–Zn and Al–Ca systems have been performed. The optimized model parameters of the third binary system, Ca–Zn, are taken from the previous assessment of the Mg–Ca–Zn system by the same authors. All available as well as reliable experimental data both for the thermodynamic properties and phase boundaries are reproduced within experimental error limits. In the present assessment, the modified quasichemical model in the pair approximation is used for the liquid phase and Al_FCC phase of the Al–Zn system to account for the presence of the short-range ordering properly. Two ternary compounds reported by most of the research works are considered in the present calculation. The liquidus projections and vertical sections of the ternary systems are also calculated, and the invariant reaction points are predicted using the constructed database.     

Thermodynamic assessments of the Ni–Pt and Al–Ni–Pt systems

The Ni–Pt system is assessed using the CALPHAD method. The four fcc-based phases, i.e. disordered solid solution phase, Ni₃Pt–L1₂, NiPt–L1₀ and NiPt₃–L1₂, are described by a four-sublattice model. The calculated thermodynamic properties and order/disorder phase transformations are in good agreement with the experimental data. In order to facilitate the assessment, first-principles pseudopotential calculations are also performed to calculate the enthalpy of formation at 0 K, and comparison with the assessed values is discussed. By combining the assessments of Al–Ni and Al–Pt, the Al–Ni–Pt ternary system is assessed within a narrow temperature range, focusing on the fcc-based phases and their phase equilibria with B2 phase.     

Thermodynamic modeling of the Mg–Ge–Pb system

All available thermodynamic and phase diagram data of the Mg–Ge and Mg–Pb binary systems, and the Mg–Ge–Pb ternary system have been critically evaluated and all reliable data have been simultaneously optimized to obtain one set of model parameters for the Gibbs energies of the liquid and all solid phases as functions of composition and temperature. The liquid phase was modeled using the Modified Quasichemical Model in order to describe the strong ordering in Mg–Ge and Mg–Pb liquid. Mg₂Ge–Mg₂Pb solid solution phase was modeled with consideration of a solid miscibility gap. All calculations were performed using the FactSage thermochemical software.     

Thermodynamic description of the Cu–Ag–Zr system

Based on the CALPHAD method, the Ag–Zr and Ag–Cu systems have been assessed thermodynamically. The excess Gibbs energy of the solution phases in the Cu–Ag–Zr system was modeled assuming random mixing of components. The ternary phase was defined as a stoichiometric compound due to the lack of efficient thermodynamic data. At first, parameters capable of describing all phases in the Ag–Zr and the Ag–Cu systems were assessed. Combined with the parameters of the Cu–Zr system assessed previously, the isothermal sections of the Cu–Ag–Zr system at 1023 K and 978 K were extrapolated, which can reproduce the measured phase-relations.     

Analysis of interface states of metal–insulator–semiconductor photodiode with n-type silicon by conductance technique

A metal–insulator–semiconductor photodiode (MIS-PD) as active layer with n-type silicon as interdigitated Schottky electrodes has been fabricated. The current–voltage characteristics, density of interface states and photovoltaic properties of the MIS-PD diode have been investigated. The diode has a metal–insulator–semiconductor configuration with ideality factor higher than unity. The electronic parameters (ideality factor, series resistance and barrier height) of the diode were found to be 1.94, 2.23 × 10⁴ Ω and 0.74, respectively. At voltages between 0.13 and 0.50 V, the charge transport mechanism of the diode is controlled by space charge-limited current mechanism. The interface state density of the diode was found to vary from 5.54 × 10¹² to 5.67 × 10¹² eV⁻¹ cm⁻² with bias voltage. The Au/SiO₂/n-Si/Al device shows a photovoltaic behavior with a maximum open circuit voltage V_oc of 97.7 mV and short-circuit current I_sc of 17.4 μA under lower illumination intensities. The obtained electronic parameters confirm that the Au/SiO₂/n-Si/Al diode is a MIS type photodiode.     

Thermodynamic description of the Dy–Ni system

The Dy–Ni binary system has been thermodynamically assessed by means of the computer program Thermo-Calc. The Redlich–Kister polynomial was used to describe the solution phase, liquid (L). Ten compounds, Dy₃Ni, Dy₃Ni₂, DyNi, DyNi₂, DyNi₃, Dy₂Ni₇, DyNi₄, Dy₄Ni₁₇, DyNi₅ and Dy₂Ni₇, were treated as stoichiometric phases. The parameters of the Gibbs energy expressions were optimized according to all the available experimental information of both the equilibrium data and the thermodynamic results. A set of self-consistent thermodynamic parameters of the Dy–Ni system has been obtained. The calculations agree well with the respective experimental data.     

Thermodynamic description of the Pb–Yb binary system

Thermodynamic modelling of the Pb–Yb binary system was carried out with the help of the CALPHAD method. The liquid phase has been described with the association solution model with ‘ Pb₁Y b₂’ as an associated complex. The solution phases BCC_A2 and FCC_A1 were modelled with the sublattice formalism. The αPbYb_LT and βPbYb_HT Pb sub-stoichiometric intermetallic compounds, which have a homogeneity range, were treated with the formula (Pb,Y b)_0.5(Y b)_0.5 by a two-sublattice model with Pb and Yb on the first sublattice and Yb on the second one. Pb₃Y b, Pb₃Y b₅ and PbY b₂ have been treated as stoichiometric compounds. The calculations based on the thermodynamic modelling are in good agreement with the phase diagram data and experimental thermodynamic values.     

Prediction of the thermodynamic properties for the Ga–Sb–Pb ternary system

The results of some thermodynamic prediction methods applied to the Ga–Sb–Pb ternary system are presented in this paper. The Chou general solution model and the traditional models of Kohler and Toop were included in the calculation for the comparison and discussion. Integral enthalpy of mixing and integral excess Gibbs energy dependences on composition for the 15 investigated cross sections at 973 K and 1073 K, respectively, were obtained according to the applied models. The comparison between the results of the three models shows good mutual agreement. Obtained results were used for the further calculation of partial molar quantities for every component of the investigated ternary system. Calculated activity values at 1073 K for all components are given in the form of isoactivity diagrams.     

The phase equilibria in the Mg–Ni–Ca system

The three binary systems Mg–Ni, Ca–Ni and Mg–Ca have been re-optimized. A self-consistent thermodynamic database of the Mg–Ni–Ca system is constructed by combining the optimized parameters of these three constituent binaries. Lattice stability values are not added to the pure elements Mg-hcp, Ni-fcc, Ca-fcc and Ca-bcc to construct this database. The Redlich–Kister polynomial model is used to describe the liquid and the terminal solid solution phases, and the sublattice model is used to describe the non-stoichiometric phase, in this system. The constructed database is used to calculate the three binary and the ternary systems. The calculated binary phase diagrams along with their thermodynamic properties such as Gibbs energy, enthalpy, entropy and activities are found to be in good agreement with experimental data from the literature. This is the first attempt to construct the ternary phase diagram of the Mg–Ni–Ca system. The established database for this system predicted three ternary eutectic, five ternary quasi-peritectic, two ternary peritectic and two saddle points.     

A thermodynamic reassessment of the La–Sn system

Thermodynamic modelling of the La–Sn binary system was carried out with the help of the CALPHAD (CALculation of PHAse Diagram) method. The liquid phase has been described with the association solution model with a ‘ La₁Sn₁’ associated complex. The intermetallic compounds were treated as stoichiometric phases. The calculated phase diagram and the thermodynamic properties of the system are in satisfactory agreement with the majority of the experimental data.     

“ExTherm 2 ”: An interactive support package of experimental and computational thermodynamics

“ExTherm 2” shows clear advances over ExTHERM as presented in [J. Tomiska, CALPHAD 26 (2002) 143–154]: All three parts have been improved in powerfulness, comfort, and interactive work. Especially the module cM3_ is now designed for interactive evaluation by means of an overall best fit technique applicable on experimental data from calorimetric and vapor pressure measurements as well as from measurements on the electromotive force (emf) on all types of metal alloy. The new data bank module cM1_(ETD/ ExP/ PhD) is an easy-to-handle tool for interactive work in many applications in physical chemistry. The data bank ETD has been enlarged by a series of new molar mixing properties of all types of metal alloy systems, and two sub-modules are added: The first tool, ExP, makes extrapolating binary data to a high number of ternary systems of all types of metal alloy possible. And the second tool, PhD, is designed for simple interactive computations on binary phase diagrams, especially for education items.     

Internal stabilizability of the Navier–Stokes equations

One shows that the steady-state solutions to Navier–Stokes equations in d-dimensional domains Ω, d=2,3 with Dirichlet and slip curl boundary conditions are exponentially stabilizable by proportional controllers with the support in open subsets ωΩ such that Ωω is sufficiently “small”.     

Thermodynamic description of the Sn–Ag–Au ternary system

Gibbs energy of hcp_A3 phase in the Ag–Sn binary system has been reassessed using compatible lattice stability. Combined with previous assessments of the Ag–Au and Au–Sn binary systems, the Sn–Ag–Au ternary system has been thermodynamically optimized using the CALPHAD method on the basis of available experimental information. The solution phases including liquid, fcc_A1, hcp_A3 and bct_A5, are modeled as substitutional solutions, while the intermediate compound Ag₃Sn is treated using a 2-sublattice model because Au can be dissolved to a certain degree. The solubility of Ag in the Au–Sn intermediate phases, D0₂₄, Au₅Sn, AuSn, AuSn₂ and AuSn₄, is not taken into account. Thermodynamic properties of liquid alloys, liquidus projection and several vertical and isothermal sections of this ternary system have been calculated, which are in reasonable agreement with the reported experimental data.     

Speed–accuracy tradeoff in Fitts’ law tasks—on the equivalency of actual and nominal pointing precision

Pointing tasks in human–computer interaction obey certain speed–accuracy tradeoff rules. In general, the more accurate the task to be accomplished, the longer it takes and vice versa. Fitts’ law models the speed–accuracy tradeoff effect in pointing as imposed by the task parameters, through Fitts’ index of difficulty (I_d) based on the ratio of the nominal movement distance and the size of the target. Operating with different speed or accuracy biases, performers may utilize more or less area than the target specifies, introducing another subjective layer of speed–accuracy tradeoff relative to the task specification. A conventional approach to overcome the impact of the subjective layer of speed–accuracy tradeoff is to use the a posteriori “effective” pointing precision W_e in lieu of the nominal target width W. Such an approach has lacked a theoretical or empirical foundation. This study investigates the nature and the relationship of the two layers of speed–accuracy tradeoff by systematically controlling both I_d and the index of target utilization I_u in a set of four experiments. Their results show that the impacts of the two layers of speed–accuracy tradeoff are not fundamentally equivalent. The use of W_e could indeed compensate for the difference in target utilization, but not completely. More logical Fitts’ law parameter estimates can be obtained by the W_e adjustment, although its use also lowers the correlation between pointing time and the index of difficulty. The study also shows the complex interaction effect between I_d and I_u, suggesting that a simple and complete model accommodating both layers of speed–accuracy tradeoff may not exist.