Two-dimensional cellular automaton model for simulating structural evolution of binary alloys during solidification

Two-dimensional cellular automaton(CA)simulations of phase transformations of binary alloys during solidification were reported.The modelling incorporates local concentration and heat changes into a nucleation or growth function,which is utilized by the automaton in a probabilistic fashion.These simulations may provide an efficient method of discovering how the physical processes involved in solidification processes dynamically progress and how they interact with each other during solidification.The simulated results show that the final morphology during solidification is related with the cooling conditions.The established model can be used to evaluate the phase transformation of binary alloys during solidification.

Phase-field simulation of secondary dendrite growth in directional solidification of binary alloys

Phase field method was used to simulate the effect of grains orientation angle θ_(11) and azimuth θ_A of non-preferentially growing dendrites on the secondary dendrites of preferentially growing dendrites. In the simulation process, two single-factor influence experiments were designed for columnar crystal structures. The simulation results showed that, when θ_(11) < 45o and θ_A < 45o, as θ_(11) was enlarged, the growth direction of the secondary dendrites on the preferentially growing dendrites at the converging grain boundary(GB) presented an increasing inclination to that of preferentially growing dendrites; with increasing θ_A, the growth direction of the secondary dendrites on the preferentially growing dendrites at the converging GB exhibited greater deflection,and the secondary dendrites grew with branches; the secondary dendrites on the preferentially growing dendrites at diverging GBs grew along a direction vertical to the growth direction of the preferentially growing dendrites.When θ_A = 45o and θ_(11) = 45o, the secondary dendrites grew in a direction vertical to the growth direction of preferentially growing dendrites. The morphologies of the dendrites obtained through simulation can also be found in metallographs of practical solidification experiments. This implies that the effect of a grain's orientation angle and azimuth of non-preferentially growing dendrites on the secondary dendrites of preferentially growing dendrites does exist and frequently appears in the practical solidification process.

Calculation of Activity Coefficient from Immiscible Binary Alloy Phase Diagram by Means of Modified Sub-regular Solution Model

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Phase-field simulation of competitive growth of grains in a binary alloy during directional solidification

Taking Al-2%mole-Cu binary alloy as an example, the influence of grain orientation on competitive growth of dendrites under different competitive modes was investigated by using the three-dimensional(3-D) phasefield method. The result of phase-field simulation was verified by applying cold spray and directional remelting. In the simulation process, two competitive modes were designed: in Scheme 1, the monolayer columnar grains in multilayer columnar crystals had different orientations; while in Scheme 2, they had the same orientation. The simulation result showed that in Scheme 1, the growth of the dendrites, whose orientation had a certain included angle with the direction of temperature gradient, was restrained by the growth of other dendrites whose direction was parallel to the direction of temperature gradient. Moreover, the larger the included angle between the grain orientation and temperature gradient, the earlier the cessation of dendrite growth. The secondary dendrites of dendrites whose grain orientation was parallel to the temperature gradient flourished with increasing included angles between the grain orientation and temperature gradient. In Scheme 2, the greater the included angle between grain orientation and temperature gradient, the easier the dendrites whose orientation showed a certain included angle with temperature gradient inserted between those grew parallel to the temperature gradient, and the better the growth condition thereafter. Some growing dendrites after intercalation were deflected to the temperature gradient, and the greater the included angle, the lower the deflection. The morphologies of the competitive growth dendrites obtained through simulation can also be found in metallographs of practical solidification experiments. This implies that the two modes of competitive growth of dendrites characterized in the simulation do exist and frequently appear in practical solidification processes.

FORMATION ENTHALPIES FOR FCC METAL BASED BINARY ALLOYS BY EMBEDDED ATOM METHOD

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Microstructure and properties of Mg-Al binary alloys

The effects of different amounts of added Al, ranging from 1 % to 9 %, on the microstructure and properties of Mg-Al binary alloys were investigated. The results showed that when the amount of added Al is less than 5%, the grain size of the Mg-Al binary alloys decreases dramatically from 3 097 μm to 151 μm with increasing addition of Al. Further addition of Al up to 9% makes the grain size decrease slowly to 111 μm. The α-Mg dendrite arms are also refined. Increasing the amount of added Al decreases the hot cracking susceptibility of the Mg-Al binary alloys remarkably, and enhances the micro-hardness of the α-Mg matrix.

Enthalpies of Formation of Binary Transition hcp Metal Based Alloys Calculated by Analytic Embedded Atom Method Model

A simple analytic modified embedded atom method (M EAM ) Inciuding a modified term for hcp metals has been developed from the MEAM applied to the fcc and bcc metals. The enthalpiesof formation of all binary alloy systems for eight transition hcp metals are calculated with theMEAM. The calculations are in agreement with the experimental data avallable and resultscalculated from the Miedema theory. One can conclude that our MEAM is also effective toapply to the hcp metals and their alloys.

Phase-field numerical simulation of three-dimensional competitive growth of dendrites in a binary alloy

The normal vector of migration direction in the solid-liquid interface of dendrites was used to describe the phase-field governing equation. By using the three angles formed by the normal vector for the migration direction of the dendritic growth interface and the coordinate axes of the simulation region, the authors expressed the interfacial anisotropy equation, and built a phase-field model for the competitive growth of multiple grains. Taking a Al-2%mole-Cu binary alloy as an example, the competitive growth of multiple grains during isothermal solidification was simulated by applying parallel computing techniques. In addition, the phase field simulation results were verified by the experimental method. The simulation results show that the competitive growth of equiaxed dendrite is divided into two types: the first occurs during the process of competitive growth, the tips of primary dendrite on different grains taking part in the competition stop growing in their optimal growth direction; the second also occurs during competitive growth, the tips of primary dendrite which participate in the competition on different grains never stop growing in their optimal growth direction. The dendritic morphologies of the first competition growth type are divided into two types. Primary dendrites of grains taking part in the competition stop growing in their optimal growth direction and the competition plane enlarges when neither one wins the competition. However, when one wins the competition, the primary dendrites of grains with superiority go through the blocking grains and continue to grow in their optimal growth direction. The primary dendrites of inferior grains stop growing in their optimal growth direction and then instead grow in those areas without obstacles. The dendritic morphology of the second competition-growth type is shown to be the deformation of primary dendrites, which are mainly represented as the deflection and bending observed from different views. Compared with the metallographic picture, the simulation results can show the morphology of the competitive growth in all directions, so this simulation method can better characterize the competitive growth process.

Application of the Embedded-atom Method to Liquid Binary Cu-Ni Alloys

A simple analytic embedded-atom model of monoatoms that includes more than nearest neighbours has been extended to study properties of binary liquid Cu-Ni alloys, here the two-body potential between different species of atoms is taken as a function of the two-body potential for the pure metals with a unique form which yields alloy models with the same invariance to electron density transformations as monoatomic models. Faber-Ziman structure factors have been computed by molecular dynamics simulation on the base of this model. The results are in good agreement with experimental data given by Waseda, thus supporting the overall validity of the approach, especially for cross potential of Cu-Ni pair. Further, a detailed description of structure of binary liquid Cu-Ni alloys with different compositions have been performed using pair analysis and bond orientational order method etc., and then the chemical short range order has also been examined to reveal the structural characterization.

Phase field modeling of multiple dendrite growth of Al-Si binary alloy under isothermal solidification

Phase field method offers the prospect of being able to perform realistic numerical experiments on dendrite growth in metallic systems.In this study,the growth process of multiple dendrites in Al-2-mole-%-Si binary alloy under isothermal solidification was simulated using phase field model.The simulation results showed the impingement of arbitrarily oriented crystals and the competitive growth among the grains during solidification.With the increase of growing time,the grains begin to coalesce and impinge the adjacent grains.When the dendrites start to impinge,the dendrite growth is obviously inhibited.

Phase-field simulation of dendritic growth in a binary alloy with thermodynamics data

This paper simulates the dendrite growth process during non-isothermal solidification in the Al-Cu binary alloy by using the phase-field model.The heat transfer equation is solved simultaneously.The thermodynamic and kinetic parameters are directly obtained from existing database by using the Calculation of Phase Diagram (CALPHAD) method.The effects of the latent heat and undercooling on the dendrite growth,solute and temperature profile during the solidification of binary alloy are investigated.The results indicate that the dendrite growing morphologies could be simulated realistically by linking the phase-field method to CALPHAD.The secondary arms of solidification dendritic are better developed with the increase of undercooling.Correspondingly,the tip speed and the solute segregation in solid-liquid interface increase,but the tip radius decreases.

A New Thermodynamic Calculation Method for Binary Alloys: Part I: Statistical Calculation of Excess Functions

The improved form of calculation formula for the activities of the components in binary liquids and solid alloys has been derived based on the free volume theory considering excess entropy and Miedema's model for calculating the formation heat of binary alloys. A calculation method of excess thermodynamic functions for binary alloys, the formulas of integral molar excess properties and partial molar excess properties for solid ordered or disordered binary alloys have been developed. The calculated results are in good agreement with the experimental values.

A New Thermodynamic Calculation Method for Binary Alloys Part II:Exploring the Correction Factor Function

A new method of revising activity values has been derived based on the ao called correction factor function for binary alloys with a large difference between two components.The correction factor is a function of physical properties formed by the difference of two components.Its absolute value increases with the enhancement of the difference in the character of components.It can be either positive or negative and the rules for selecting the sign of correction factor have been analyzed.Results are in good agreement with the experimental values.

Preparation of ferromagnetic binary alloy fine fibers by organic gel-thermal reduction process

Ferromagnetic metal fibers with a high aspect ratio (length/diameter) are attractive for use as high performance electromagnetic interference shielding materials. Ferromagnetic binary alloy fine fibers of iron-nickel, iron-cobalt and cobalt-nickel were prepared by the organic gel-thermal reduction process from the raw materials of critic acid and metal salts. These alloy fibers synthesized were featured with a diameter of about 1 μm and a length as long as 1 m. The structure, thermal decomposition process and morphologies of the gel precursors and fibers derived from thermal reduction of the gel precursors were characterized by FTIR, XRD, TG/DSC and SEM. The gel spinnability largely depends on the molecular structure of metal- carboxylates formed during the gel formation. The gel consisting of linear-type structural molecules shows good spinnability.

Phase Stability, Kinetic Diagrams and Diffusion Path in High Temperature Oxidation of Binary Solid-Solution Alloys

The phase diagrams of ternary systems involving two metal components and one oxidant are considered first, the limitations to their use is discussed in relation to the high temperature oxidation of binary alloys. Kinetic diagrams,which are useful to predict the conditions for the stability of the two mutually insoluble oxides as the external scale, are then calculated on the basis of thermodynamic and kinetic data concerning both the alloys and the oxides, assuming the validity of the parabolic rate law. A combination of the two types of diagrams provides a more detail information about the oxidation behavior of binary alloys. The calculation of the diffusion paths, which relate the oxidant pressure to the composition of the system in terms of the alloy components both in the alloy and in the scale during an initial stage of the reaction in the presence of the parabolic rate law, is finally developed.

Description and Prediction of the Solid Solubilities of Binary Alloys Based on the Actinide Metals

The solid solubilities of 207 binary alloys based on the three actinide metals （Th, U and Pu） at room tem-perature are studied with the two theoretical schemes suggested by one of the present authors （ZBW）.The re-sults show that the soluble elements can be distinguished from the insoluble ones by a parabola y1=a--bx2 oran ellipse （x2,-m）2/c2+（y2-n）2/d2=l with the total reliabilities of 87.9% and 92.3% respectively for the 207binary alloys. The contants a and b in the parabola equation, and c, d, m and n in the ellipse equation can berelated to some appropriate parameters for each host metal respectively. The reasons are discussed. From thetheories the soluble elements in these actinide host metals that have not been measured yet can be predicted inthe accuracies of the schemes.

PRECIPITATION IN BINARY Al-Li ALLOYS

Studies were carried out on the precipitation in two sets of binary Al-Li alloys by means ofhardness tests,DSC analyses and TEM observations.When the alloys were aged for constanttime,a peak appeared on the plot of temperature dependence upon their hardness in the rangeof low temperatures,and the endothermic dissolution peak was quite distinct on the DSCcurve also at low temperatures.These are believed that an Li-rich GP zone formed in the al-loys aged at low temperatures,but no more GP zone if aging at elevated temperatures.Thehardness of the alloys raises rapidly with coarsening of δ′-phase grains.The two endothermicpeaks of δ′ dissolution on the DSC curve relate to the structural adjustment at twice of the δ′precipitation.The equilibrium δ-phase,being of higher thermal stability,nucleates and growsdirectly from the supersaturated solid solution with the aid of the gram boundary.

CORRELATION BETWEEN CONSTITUENT AND SPUTTERING RATE OF BINARY ALLOYS IN GLOW DISCHARGE LAMP

Investigation was made of the sputtering rate in glow discharge lamp with relaion toconstituent of 25 different specimens of 6 binary systems.namely,Cr-Fe,Bi-Sb,Cu-Zn,Ag-Cu,Al-Zn and Cd-Sn.by measuring mass loss sfter each sputtering under constantAr pressure and voltage applicd.The correlation.in general,between sputtering rate andconcentration of constituent of these non-intermetallic binary alloys obeys the hyperboliclaw under steady state,that may be approximately regarded as linear correlation only oncertain special condition if the two components of the alloys with similar sputte ringrates.

Nonlinear Theory on Dynamic Controlling Interface Patterns DuringSolidification of a Dilute Binary Alloy

Nomenclaturea,bfcorrectnessfactors;aL,Qs'thermaldiffusivitiesofliquidandsolid,respectively,C:concentrationofsolute,D,'diffusioncoefficientofsolute;G,'concentrationgradient;G,,G,'temperaturegradientsofliquidandsolid,respectively,k'partitioncoefficient...

COLOR CHARACTERISTICS OF BINARY COPPER-BASE ALLOYS

The effect of Al, Zn, Sn, Mn, Si and Ni on the color characteristics of binary copper-base alloys has been researched systematically and quantitatively. The results show that all alloying elements decrease the red content of an alloy at different levels but have different effects on the yellow color. Al and Zn enhance the yellow content of an alloy, whereas Sn, Mn, Si and Ni decrease the yellow content. When the alloys with different karat gold colors are imitated, Al and Zn are the most important color mixing elements and Sn, Mn, Si and Ni can be used as auxiliary.