Critical evaluation and optimization of the thermodynamic properties and phase diagrams of the CrO-Cr2O3, CrO-Cr2O3-Al2O3, and CrO-Cr2O3-CaO systems

Available thermodynamic and phase diagram data have been critically assessed for all phases in the CrO-Cr₂O₃, CrO-Cr₂O₂-Al₂O₃, and CrO-Cr₂O₂-CaO systems from 298 K to above the liquidus temperatures and for oxygen partial pressures ranging from equilibrium with metallic Cr to equilibrium with air in the case of the first two systems and toP _{O 2} = 10^?3 atm for the CrO-Cr₂O₃-CaO system. All reliable data have been simultaneously optimized to obtain one set of model equations for the Gibbs energy of the liquid slag and all solid phases as functions of composition and temperature. The modified quasichemical model was used for the slag. The models permit phase equilibria to be calculated for regions of composition, temperature, and oxygen potential where data are not available.     

Critical evaluation and optimization of the thermodynamic properties and phase diagrams of the CrO-Cr2O3-SiO2 and CrO-Cr2O3-SiO2-Al2O3 systems

Available thermodynamic and phase diagram data have been critically assessed for all phases in the CrO-Cr₂O₃-SiO₂ and CrO-Cr₂O₃-SiO₂-Al₂O₃ systems from 298 K to above the liquidus temperatures and for oxygen partial pressures ranging from equilibrium with metallic Cr to equilibrium with air. All reliable data have been simultaneously optimized to obtain one set of model equations for the Gibbs energy of the liquid slag and all solid phases as functions of composition and temperature. The modified quasi-chemical model was used for the slag. The models permit phase equilibria to be calculated for regions of composition, temperature, and oxygen potential where data are not available.     

Some guidelines for thermodynamic optimisation of phase diagrams

Thermodynamic optimisation of phase diagrams is a procedure that requires considerable experience and skill. The purpose of this article is to furnish certain guidelines that might facilitate the work and improve the quality of the thermodynamic optimisation of phase diagrams using the Calphad method. Some particulars regarding experimental data, Gibbs energy models, constraints on model parameters, and performing the optimisation are discussed.     

Phase diagrams and thermodynamic properties of rare earth-bismuth systems

A survey is given of rare earth-bismuth phase diagrams and of crystallographic and thermodynamic properties of the intermetallic compounds occuring in the various rare earth-bismuth systems. Observed trends and regularities are briefly discussed. A more detailed investigation is presented for the Tm---Bi phase diagram.     

The use of phase diagrams and thermodynamic databases for electronic materials

Phase diagrams and a thermodynamic database constructed by the Calculation of Phase Diagrams approach offer powerful tools for alloy design and materials development. This article presents recent progress on the thermodynamic database for microsolders and copper-based alloys, which is useful for the development of lead-free solders and prediction of interfacial phenomena between solders and the copper substrate in electronic packaging technology. In addition, examples of phase diagram applications are presented to facilitate the development of Co-Cr-based magnetic recording media in hard disks and new ferromagnetic shape-memory alloys. For more information, contact K. Ishida, Tohoku University, Department of Materials Science, Graduate School of Engineering, Aoba-yama 02, Sendai 980-8579, Japan.     

Correlations between phase diagrams and thermodynamic data for metal hydride systems

A series of correlations between the phase diagrams and enthalpic data are developed for metal hydride systems. The value of these correlations lies in their providing criteria for checking the consistency of the thermodynamic behavior for these systems. The correlations are illustrated using some experimental thermodynamic data and the accompanying phase diagrams for metal hydrides from the literature.     

Correlations between phase diagrams and thermodynamic data for metal hydride systems

A series of correlations between the phase diagrams and enthalpic data are developed for metal hydride systems. The value of these correlations lies in their providing criteria for checking the consistency of the thermodynamic behavior for these systems. The correlations are illustrated using some experimental thermodynamic data and the accompanying phase diagrams for metal hydrides from the literature.     

Au-Ag-Al系相图的热力学优化和计算

使用计算相图方法(CALPHAD)计算Au-Ag-Al的三元相图时,三个边际二元相图(Au-Al,Au-Ag,Ag-Al)的准确性对三元相图的计算有很大的影响,目前Au-Al边际二元相图存在着一定的矛盾。在综合评估Au-Al体系实验数据的基础上,优化和计算了Au-Al合金体系的平衡相图,使用置换式溶体溶液模型描述Au-Al体系中液相、Bcc和Fcc相的吉布斯自由能,分别用亚点阵模型(Al)(Au)4、(Al)3(Au)8、(Al)(Au)2、(Al)(Au)和(Al,Au)2(Al,Au)描述AlAu4、Al3Au8、AlAu2、AlAu和Al2Au相,通过Pandat软件优化得到一组各相的热力学参数,计算得到的Au-Al相图与实验数据和热力学数据相吻合。结合Au-Ag和Ag-Al的热力学参数,计算了Au-Ag-Al液相面投影图和等温截面图,液相面投影图显示该三元系存在8个四相平衡反应,对Au-Ag-Al合金的研究具有指导意义。     

Critical evaluation and optimization of the thermodynamic properties and phase diagrams of the CrO-Cr2O3, CrO-Cr2O3-Al2O3, and CrO-Cr2O3-CaO systems

Available thermodynamic and phase diagram data have been critically assessed for all phases in the CrO-Cr₂O₃, CrO-Cr₂O₂-Al₂O₃, and CrO-Cr₂O₂-CaO systems from 298 K to above the liquidus temperatures and for oxygen partial pressures ranging from equilibrium with metallic Cr to equilibrium with air in the case of the first two systems and toP _{O 2} = 10⁻³ atm for the CrO-Cr₂O₃-CaO system. All reliable data have been simultaneously optimized to obtain one set of model equations for the Gibbs energy of the liquid slag and all solid phases as functions of composition and temperature. The modified quasichemical model was used for the slag. The models permit phase equilibria to be calculated for regions of composition, temperature, and oxygen potential where data are not available.     

Critical evaluation and optimization of the thermodynamic properties and phase diagrams of the CrO-Cr2O3-SiO2 and CrO-Cr2O3-SiO2-Al2O3 systems

Available thermodynamic and phase diagram data have been critically assessed for all phases in the CrO-Cr₂O₃-SiO₂ and CrO-Cr₂O₃-SiO₂-Al₂O₃ systems from 298 K to above the liquidus temperatures and for oxygen partial pressures ranging from equilibrium with metallic Cr to equilibrium with air. All reliable data have been simultaneously optimized to obtain one set of model equations for the Gibbs energy of the liquid slag and all solid phases as functions of composition and temperature. The modified quasi-chemical model was used for the slag. The models permit phase equilibria to be calculated for regions of composition, temperature, and oxygen potential where data are not available.     

Compilation of calculated phase diagrams in multicomponent metallic systems using a thermodynamic approach

The following is an updated version of the table that appeared as Appendix 1 of “Comparison of Methods for Thermodynamic Calculation of Phase Diagrams” inInternational Metals Reviews, Vol. 24, No. 1, p 20–53 (1979). Many of the articles cited in the table also contain data relevant to the component binary systems.     

Reevaluation of thermodynamic models for phase diagram evaluation

Several thermodynamic models for calculating binary phase diagrams published in the literature have been reevaluated. Problems in some of these models are already evident in the models themselves and may also be seen in the resulting calculated phase diagrams. When a calculation is attempted, thermodynamic models with quite different formulations may result in very similar proposed phase diagrams. In such cases, if experimental data of a binary phase diagram can be represented reasonably well by several different thermodynamic models, a simpler model often provides the clearest insight into the basic properties of the system. If a calculated phase diagram results in unusual phase relationships, the adopted thermodynamic model may be inappropriate or may involve unrealistic parameters. If the thermodynamic model is clearly unrealistic and yet the calculated phase diagram appears to be normal, errors in calculation or in interpretation may be suspect. Various examples of unlikely combinations of thermodynamic models and phase diagrams are discussed.     

Assessment of phase diagram and thermodynamic properties of the Al-Ga-Sb system

The experimental thermodynamic and phase diagram data of the Al-Ga-Sb ternary system have been critically assessed. With the assessed thermodynamic parameters, the pseudobinary AlSbGaSb phase diagram, the isothermal ternary sections, and the thermodynamic properties were calculated and compared with the related experimental data.     

Use of systematics for the evaluation of rare-earth phase diagrams and crystallographic data

When a metallic element is alloyed with each of the rare-earth elements, a systematic variation in the physical properties is observed. Examination of the variations as a function of rare-earth atomic number is a useful tool in evaluating rare-earth binary phase diagrams.     

Al-Mg合金镀层的制备与性能

利用AlCl3 LiAlH4 MgBr2有机溶剂体系在碳钢基体上电沉积出Al-Mg合金镀层,并对不同沉积电流密度下Al-Mg镀层的表面形貌、成分、结构、厚度、结合力和耐蚀性进行了研究。结果表明:沉积出的铝镁合金镀层表面光滑、均匀、致密;膜层中的镁含量随沉积电流密度的增加而增大,且以Al-Mg固溶体形式存在,并按(200)面的结构生长;随沉积电流密度的增加,铝镁合金镀层的厚度与晶格常数呈线性增大;在3.5%NaCl溶液中的耐蚀性呈先增大后减小的规律;Al-Mg镀层与碳钢基体的结合力良好,均大于50 N;Al-Mg镀层的沉积速率、结合力和耐蚀性均高于相同沉积条件下的纯铝镀层;Al-Mg合金镀层沉积的最佳电流密度为0.75~1.50A/dm2。     

First-principles investigation of phase stability,elastic and thermodynamic properties in L12 Co3(Al,Mo,Nb) phase

First-principles calculations have been performed to investigate the phase stability, elastic, and thermodynamic properties of Co₃(Al,Mo,Nb) with the L1₂ structure. Calculated elastic constants show that Co₃(Al,Mo,Nb) is mechanically stable and possesses intrinsic ductility. It is found that the shear and Young's moduli of Co₃(Al,Mo,Nb) are smaller than those of Co₃(Al,W). Calculated density of states indicate the existence of covalent-like bonding in Co₃(Al,Mo,Nb). Temperature-dependent thermodynamic properties of Co₃(Al,Mo,Nb) can be described satisfactorily using the Debye-Grüneisen approach, including entropy, enthalpy, heat capacity and linear thermal expansion coefficient, showing their significant temperature dependences. Furthermore the obtained data can be employed in the modeling of thermodynamic and mechanical properties of Co-based alloys to enable the design of high temperature alloys.     

Calculation of the binary chromiun-lanthanide phase diagrams

The Miedema model is used to calculate the interaction parameter Ω for binary chromium-lanthanide metal systems in the liquid state. The values of Ω found for the 15 systems range from +21.6 kJ/mol for Cr-Lu to +174.6 kJ/mol for Cr-Eu. The phase diagrams of the 15 systems are calculated using these values and assuming complete immiscibility for the solid state and regular solution behavior for the liquid state. Because of the positive values of Ω, most phase diagrams exhibit a liquid miscibility gap; only the Cr-Er, Cr-Tm, and Cr-Lu systems do not contain a miscibility gap. A comparison is made between the calculated and the experimentally determined Cr-Ce phase diagram.