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.     

A generalization of Cobham’s theorem to automata over real numbers

This article studies the expressive power of finite-state automata recognizing sets of real numbers encoded positionally. It is known that the sets that are definable in the first-order additive theory of real and integer variables 〈R,Z,+,<〉$〈\mathbb{R},\mathbb{Z},+,<〉$ can all be recognized by weak deterministic Büchi automata, regardless of the encoding base r>1$r>1$. In this article, we prove the reciprocal property, i.e., a subset of R$\mathbb{R}$ that is recognizable by weak deterministic automata in every base r>1$r>1$ is necessarily definable in 〈R,Z,+,<〉$〈\mathbb{R},\mathbb{Z},+,<〉$. This result generalizes to real numbers the well-known Cobham’s theorem on the finite-state recognizability of sets of integers. Our proof gives interesting insight into the internal structure of automata recognizing sets of real numbers, which may lead to efficient data structures for handling these sets.     

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.     

A semi-local convergence theorem for a robust revised Newton’s method

It is well known that Newton’s iteration will abort due to the overflow if the derivative of the function at an iterate is singular or almost singular. In this paper, we study a robust revised Newton’s method for solving nonlinear equations, which can be carried out with a starting point with a degenerate derivative at an iterative step. It is proved that the method is convergent under the conditions of the Newton–Kantorovich theorem, which implies a larger convergence domain of the method. We also show that our method inherits the fast convergence of Newton’s method. Numerical experiments are performed to show the robustness of the proposed method in comparison with the standard Newton’s method.     

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.     

A generalization of the Lin-Zhao theorem

The theorem on loop formulas due to Fangzhen Lin and Yuting Zhao shows how to turn a logic program into a propositional formula that describes the program’s stable models. In this paper we simplify and generalize the statement of this theorem. The simplification is achieved by modifying the definition of a loop in such a way that a program is turned into the corresponding propositional formula by adding loop formulas directly to the conjunction of its rules, without the intermediate step of forming the program’s completion. The generalization makes the idea of a loop formula applicable to stable models in the sense of a very general definition that covers disjunctive programs, programs with nested expressions, and more.     

On a computationally simple form of the generalized Campbell–Baker–Hausdorff–Dynkin formula

In this paper a computationally simple form of the generalized Campbell–Baker–Hausdorff–Dynkin formula (GCBHD) is given. Simplifications arise from both combinatorial (explicit) as well as algorithmic (implicit) arguments. On generating the Ph. Hall basis in a special form, and introducing a specific structure representation of the vector field, vector fields appearing in GCBHD are automatically transformed into the reduced Ph. Hall basis. The formula can be exploited in nonholonomic motion planning what is illustrated with examples.     

Pre-control form of the generalized Campbell–Baker–Hausdorff–Dynkin formula for affine nonholonomic systems

In this paper a pre-control form of the generalized Campbell–Baker–Hausdorff–Dynkin (gCBHD) formula is presented. This form is dedicated to nonholonomic (affine) systems often encountered in robotics. The simplest possible expression for the pre-control gCBHD is obtained as control-dependent functions pre-multiply elements of the Ph. Hall basis. Algorithmic aspects of deriving the formula are highlighted. An application of the pre-control form of the gCBHD formula in motion planning of nonholonomic systems is also reported.     

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.     

An experiment with the Boyer-Moore theorem prover: A proof of Wilson's theorem

This paper describes the use of the Boyer-Moore theorem prover in mechanically generating a proof of Wilson's theorem: for any prime p, (p-1)! and p-1 are congruent modulo p. The input to the theorem prover consists of a sequence of three function definitions and forty-two propositions to be proved. The proofs generated by the system are based on a library of lemmas relating to list manipulation and number theory, including Fermat's theorem.     

On the 1-fault hamiltonicity for graphs satisfying Ore's theorem and its generalization

Consider any undirected and simple graph G=(V, E), where V and E denote the vertex set and the edge set of G, respectively. Let |G|=|V|=n. The well-known Ore's theorem states that if deg_G(u)+deg_G(v)≥n+k holds for each pair of nonadjacent vertices u and v of G, then G is traceable for k=?1, hamiltonian for k=0, and hamiltonian-connected for k=1. Lin et al. generalized Ore's theorem and showed that under the same condition as above, G is r*-connected for 1≤r≤k+2 with k≥1. In this paper, we improve both theorems by showing that the hamiltonicity or r*-connectivity of any graph G satisfying the condition deg_G(u)+deg_G(v)≥n+k with k≥?1 is preserved even after one vertex or one edge is removed, unless G belongs to two exceptional families.     

A particle swarm optimization algorithm for part–machine grouping

Although in the last years different metaheuristic methods have been used to solve the cell formation problem in group technology, this paper presents the first particle swarm optimization (PSO) algorithm designed to address this problem. PSO is a population-based evolutionary computation technique based on a social behavior metaphor. The criterion used to group the machines in cells is based on the minimization of inter-cell movements. A maximum cell size is imposed. Some published exact results have been used as benchmarks to assess the proposed algorithm. The computational results show that the PSO algorithm is able to find the optimal solutions on almost all instances.     

Instability of light illumination stress on amorphous In–Ga–Zn–O thin‐film transistors

Amorphous In–Ga–Zn–O thin‐film transistors (TFTs) have attracted increasing attention due to their electrical performance and their potential for use in transparent and flexible devices. Because TFTs are exposed to illumination through red, green, and blue color filters, wavelength‐varied light illumination tests are required to ensure stable TFT characteristics. In this paper, the effects of different light wavelengths under both positive and negative V_GS stresses on amorphous In–Ga–Zn–O TFTs are investigated. The TFT instability that is dependent on optical and electrical stresses can be explained by the charge trapping mechanism and interface modification.     

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.     

Construction of modified embedded atom method potentials for the study of the bulk phase behaviour in binary Pt–Rh, Pt–Pd, Pd–Rh and ternary Pt–Pd–Rh alloys

A first attempt is made to simulate the solid part of the phase diagram of the ternary Pt–Pd–Rh system. To this end, Monte Carlo (MC) simulations are combined with the Modified Embedded Atom Method (MEAM) and optimised parameters entirely based on Density Functional Theory (DFT) data. This MEAM potential is first validated by calculating the heat of mixing or the demixing phase boundary for the binary subsystems Pt–Rh, Pt–Pd and Pd–Rh. For the disordered alloy systems Pt–Rh and Pt–Pd, the MC/MEAM simulation results show a slightly exothermic heat of mixing, thereby contradicting any demixing behaviour, in agreement with other theoretical results. For the Pd–Rh system the experimentally observed demixing region is very well reproduced by the MC/MEAM simulations. The extrapolation of the MEAM potentials to ternary systems is next validated by comparing DFT calculations for the energy of formation of ordered Pt–Pd–Rh compounds with the corresponding MEAM energies. Finally, the validated potential is used for the calculation of the ternary phase diagram at 600 K.