Prediction of the Gibbs Free Energies of Formation of Intermediate Compounds in a Binary System

A method for predicting the Gibbs free energies of intermediate compounds in a binary system has been presented,based upon the regulations of the Gibbs free energies of formation of intermediate compounds in the system.The upplication of this pro-cedure to the V-O system demonstrates that this method is feasible.     

Effect of silicon on oxidation of Ni-15Al alloy

1　INTRODUCTIONChromium, aluminum, and silicon can formsatisfactory protective scales on Ni based alloys.Chromium is expensive and not suitable for use attemperatures above 1 000℃ due to the evaporationof CrO3. It has also been well established that theincorporation of Si in many alloy systems has abeneficial effect on their oxidation resistance[1, 2].In addition, silicon is abundant and cheap. More over, Si has one of the largest solubility in Ni3Alwhere it …     

LPE Growth of InAsPSb on InAs:Melt Composition,Lattice Mismatch and Surface Morphology

The LPE growth of quaternary InAs_(1-x-y)P_xSb_y with x=0.2 and y=0.09 on InAs substrate has been studied.This composi-tion is very suitable for the laser and detector applications at about 2.5μm.We show that in InAsPSb/InAs system there is a de-terminate relation between the surface morphology and the lattice mismatch of the epi-wafers,by which we can easily control themelt composition to grow high quality hetero-structures.The reason has been discussed.The p-n junctions with fairly good car-rier profile have been prepared in this system.     

Recent developments in engineering γ—TiAl intermetallics

γ-TiAl based alloys are rapidly being developed for elevated temperature applications,due to their high strength,light mass and good oxidation resistance.However,th disadvantages of TiAl based alloys are low ductility and toughness at room temperature,and poor workability.Grain refinement is one of the most effective ways for improving room temperature tensile properties and hot workability of ordered TiAl based alloys.At present,the majority of research works have focused on alloy modifications through compositional controls,alloying additions,thermo-mechanical processing and production techniques.This article discusses the research status of TiAl based alloys in the aras of microstructure,alloying,processing and applications.     

A thermodynamic description of the Si-rich Si-Fe system

Phase equilibria in the Si-rich domain of the Si-Fe system have been reassessed based on the recent DTA experimental results.Thermodynamic properties of liquid phase have been reassessed using the associated solution model.The properties of DIAMOND A4 mixture phase have been added in order to evaluate the phase equilibria for the pure silicon materials.The assessed system is able to reproduce the experimental values in the whole composition range of the Si-Fe system.     

Developing of an expert system for nonferrous alloy design

Expert systems have been used widely in the predictions and design of alloy systems. But the expert systems are based on the macroscopic models that have no physical meanings. Microscopic molecular dynamics is also a standard computational technique used in materials science. An approach is presented to the design system of nonferrous alloy that integrates the molecular dynamical simulation together with an expert system. The knowledge base in the expert system is able to predict nonferrous alloy properties by using machine learning technology. The architecture of the system is presented.     

A creative design of robotic visual tracking system in tailed welded blanks based on TRIZ

According to the main tools of TRIZ,the theory of inventive problem solving,a new flowchart of the product conceptual design process to solve contradiction in TRIZ is proposed.In order to realize autonomous moving and automatic weld seam tracking for welding robot in Tailed Welded Blanks,a creative design of robotic visual tracking system based on CMOS has been developed by using the flowchart.The new system is not only used to inspect the workpiece ahead of a welding torch and measure the joint orientation and lateral deviation caused by curvature or discontinuity in the joint part,but also to record and measure the image size of the weld pool.Moreover,the hardware and software components are discussed in brief.     

Use of electron microscopy on microstructure characterization of high chromium cast irons

The physical metallurgy underlying the development of cast microstructures in abrasion resistant high chromium cast irons, and their structural modification by thermal treatments is relatively complex. Structural characterisation via electron microscopy therefore has a key role to play in furthering our understanding of the phase transformations that control the microstructures and hence the service performances of these irons as wear parts. This paper shows how both scanning and especially transmission electron microscopy can provide valuable information on the nature of eutectic and secondary carbides and on the matrix structures in these irons. Particular attention is given to current characterisation research on conventionally cast 30%Cr irons that are used for applications involving corrosive wear e.g. slurry pumps and on a semi-solid cast 27%Cr iron that has a potential for applications in industry.     

Mechanism and application of a newly developed pressure casting process：horizontal squeeze casting

Compared to traditional high-pressure die casting（HPDC）,horizontal squeeze casting（HSC）is a more promising way to fabricate high-integrity castings,owing to a reduced number of gas and shrinkage porosities produced in the casting.In this paper,the differences between HSC and HPDC are assessed,through which it is shown that the cavity filling velocity and the size of the gating system to be the most notable differences.Equipment development and related applications are also reviewed.Furthermore,numerical simulation is used to analyze the three fundamental characteristics of HSC：slow cavity filling,squeeze feeding and slow sleeve filling.From this,a selection principle is given based on the three related critical casting parameters：cavity filling velocity,gate size and sleeve filling velocity.Finally,two specific applications of HSC are introduced,and the future direction of HSC development is discussed.     

CREEP CRACK GROWTH BEHAVIOR OF ALLOY 718 DURING HIGH TEMPERATURE EXPOSURE

Alloy 718 is a precipitation strengthened nickel-hased superalloy based on the precipitation of γ’’-Ni3Vb(DO22 structure) and γ‘-Ni3(Al, Ti) (Ll2 structure) phases. Creep crack growth rate (CCGR) was investigated after high temperature exposure at 593, 650 and 677℃ for 2000h in Alloy 718. In addition to the coalescence of γ‘/γ‘‘ and the amount increasing of 6 phase, the existence of a bcc chromium enriched α-Cr phase was observed by SEM, and the weight fraction of α-Cr and other phases were determined by chemical phase analysis methods. The CCGR behavior and regulation have been analyzed by means of strength and structure analysis approaches. The experimental results show higher the exposure temperature and longer the exposure time, lower the CCGR. This is probably attributed to the interaction of material softening and brittling due to complex structure changes during high temperature exposure. Therefore,despite α-Cr phase formation and amount enhancement were run in this test range. It seems to us a small amount of α-Cr will be not harmful for creep crack propagation resistance, which is critical for disk application in aircraft and land-based gas turbine.     

Mo-RE二元合金相图的热力学数据库

利用CALPHAD方法,选择和建立合理的热力学模型,并结合相平衡及热力学性质的相关实验信息,对Mo-RE (RE: Ce, Pr, Nd, Sm, Eu, Tb, Ho, Er, Tm, Yb, Lu)各二元系相图进行了热力学优化与计算。其中,液相和端际固溶体相的Gibbs自由能采用亚正规溶体模型描述,气相的Gibbs自由能采用理想气体模型描述。计算结果与实验数据取得了良好的一致性,最终得到了一组自洽的合理描述Mo-RE二元系各相自由能的热力学参数,建立了Mo-RE (RE: Ce, Pr, Nd, Sm, Eu, Tb, Ho, Er, Tm, Yb, Lu)二元合金相图的热力学数据库。该热力学数据库可以提供相平衡及热力学性质等多种信息,为外推计算三元以及更多组元体系的相平衡提供理论基础,并为相关体系的合金设计及制备提供重要的理论指导。     

Thermodynamic modeling of the Ce–Zn and Pr–Zn systems

In order to develop the thermodynamic database of phase equilibria in the Mg–Zn–Re (Re: rare earth element) base alloys, the thermodynamic assessments of the Ce–Zn and Pr–Zn systems were carried out by using the calculation of phase diagrams (CALPHAD) method on the basis of the experimental data including thermodynamic properties and phase equilibria. Based on the available experimental data, Gibbs free energies of the solution phases (liquid, bcc, fcc, hcp and dhcp) were modeled by the subregular solution model with the Redlich–Kister formula, and those of the intermetallic compounds were described by the sublattice model. A consistent set of thermodynamic parameters has been derived for describing the Gibbs free energies of each solution phase and intermetallic compound in the Ce–Zn and Pr–Zn binary systems. An agreement between the present calculated results and experimental data is obtained.     

Phase equilibria of the Sn–Ag–Ni ternary system and interfacial reactions at the Sn–Ag/Ni joints

There are no previous phase equilibria studies of the Sn–Ag–Ni ternary system, even though the phase equilibria information is important for the electronic industry. The isothermal section of the Sn–Ag–Ni ternary system at 240 °C has been determined in this study both by experimental examination and thermodynamic calculation. Experimental results show no existence of ternary compounds in the Sn–Ag–Ni system, and all the constituent binary compounds have very limited solubilities of the ternary elements. The binary Ni₃Sn₂ phase is very stable and is in equilibrium with most of the phases, Ag₃Sn, ζ-Ag₄Sn, Ag, Ni₃Sn₄ and Ni₃Sn phases. A preliminary thermodynamic model of the ternary system is developed based on the models of the three binary constituent systems without introducing any ternary interaction parameters. This ternary thermodynamic model is used with a commercial software Pandat to calculate the Sn–Ag–Ni 240 °C isothermal section. The phase relationships determined by calculation are consistent with those determined experimentally. Besides phase equilibria determination, the interfacial reactions between the Sn–Ag alloys with Ni substrate are investigated at 240, 300 and 400 °C, respectively. It is found that the phase formations in the Sn–3.5wt%Ag/Ni couples are very similar to those in the Sn/Ni couples.     

Thermodynamic database of the phase diagrams in the Mg-Al-Zn-Y-Ce system

The Mg-Al-Zn-Y-Ce system is one of the key systems for designing high-strength Mg alloys. The purpose of the present article is to develop a thermodynamic database for the Mg-Al-Zn-Y-Ce multicomponent system to design Mg alloys using the calculation of phase diagrams （CALPHAD） method, where the Gibbs energies of solution phases such as liquid, fcc, bcc, and hcp phases were described by the subregular solution model, whereas those of all the compounds were described by the sublattice model. The thermodynamic parameters describing Gibbs energies of the different phases in this database were evaluated by fitting the experimental data for phase equilibria and thermodynamic properties. On the basis of this database, a lot of information concerning stable and metastable phase equilibria of isothermal and vertical sections, molar fractions of constituent phases, the liquidus projection, etc., can be predicted. This database is expected to play an important role in the design of Mg alloys.     

Thermodynamic Database and the Phase Diagrams of the (U,Th, Pu)-X Binary Systems

A thermodynamic database for nuclear materials, including U-Th, U-Pu, Th-Pu, and (U, Th, Pu)-X (X = Al, Co, Cr, Cu, Fe, Ga, Mg, Mn, Mo, Nb, Ni, Si, Ta, W, Zr) binary system has been developed by the Calculation of Phase Diagrams (CALPHAD) method. Thermodynamic parameters describing Gibbs free energies of different phases have been evaluated by optimizing experimental data on phase equilibria and thermodynamic properties. The present thermodynamic database can provide much-needed information such as stable and metastable phase equilibria, phase fractions, and various thermodynamic quantities that is important to the design of nuclear materials. This database is also an essential starting point to construct thermodynamic databases for the multicomponent systems.     

Thermodynamic Database for Phase Diagrams of Mn-RE Binary Alloy Systems

Thermodynamic assessment of Mn-RE (RE: Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb, Lu) binary systems has been carried out by means of the calculation of phase diagrams method on the basis of experimental data including phase equilibria and thermodynamic properties. The Gibbs free energies of liquid phase and solid solution phases in the Mn-RE systems were all described by the subregular solution model with the Redlich–Kister formulation, whereas those of intermetallic compounds were described by the sublattice model. Sets of thermodynamic functions with self-consistent parameters leading to satisfactory agreement between calculated results and experimental data were eventually obtained. A primary thermodynamic database for the phase diagrams of the Mn-RE (RE: Pr, Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb, Lu) binary systems was developed from these essential thermodynamic parameters. This database can be used not only to calculate the phase equilibria and thermodynamic properties of binary Mn-RE systems but also to extrapolate to higher-order systems, which can provide theoretical guidance for design and development of high-performance Mn-RE alloy materials.     

Incorporating first-principles energetics in computational thermodynamics approaches

Computational thermodynamic approaches have become a valuable tool in the calculation of complex, multicomponent phase equilibria often found in industrial alloys. These methods rely on databases of free energies, obtained from an optimization process involving experimental thermodynamic and phase diagram data. However, many phases of practical interest (e.g., metastable precipitate phases) are absent from computational thermodynamics databases, due to insufficient information to perform the optimization process. We demonstrate that first-principles, density functional calculations provide a means to obtain thermodynamic functions of phases absent from current databases. Two examples illustrate this hybrid first-principles/computational-thermodynamics approach: (1) the famous metastable Cu-containing precipitate phase, Al₂Cu-θ′, often found in age-hardened aluminum alloys, and (2) a new assessment of thermodynamic data in the Al–Sr system. We show how first-principles input may be used in both binary and multicomponent industrial systems.