Thermodynamic modeling of the Ba–Ni–Ti system

The binary Ba–Ni and Ba–Ti systems are modeled by computational thermodynamics using the CALculation of PHAse Diagram (CALPHAD) method, wherein the thermodynamic parameters of disordered bcc, fcc and hcp phases are evaluated in terms of the first-principles calculations using the special quasirandom structures (SQSs). In combination with the Ni–Ti system modeling in the literature, the phase equilibria of the Ba–Ni–Ti system are predicted. Isothermal section of the ternary system is presented.     

Phase equilibria and chemical vapor transport in the system Mo–Ta–As

The phase diagram Mo–Ta–As was studied in two partial isothermal sections at 1050 °C (in the As-rich corner) and at 1400 °C (As-poor alloys) using powder X-ray diffraction and electron probe microanalysis. A complete solid solution was found to exist between isostructural Mo₅As₄ and Ta₅As₄ and the ternary solubility of Mo in Ta₃As at 1400 °C was determined. A ternary phase Mo_xTa_1−xAs with MnP-type structure was found to exist in the As-rich part of the system. Lattice parameters were investigated as a function of composition for (Mo,Ta)₅As₄ and for Mo_xTa_1−xAs. Additional experiments of chemical vapor transport (CVT) from 1000 °C to 900 °C using different ternary source compositions and I₂ and Br₂ (PtBr₂) as transport agents were performed. Only Ta compounds were found in the sink and no ternary transport was observed.     

Hydrogenation of CaLi2−xMgx (0 ≤ x ≤ 2) with C14 Laves phase structure

CaLi_2−xMg_x (0 ≤ x ≤ 2) which has the C14-type Laves phase structure has been successfully synthesized and hydrogenated. The C14-type Laves phase structure was kept after hydrogenation of CaLi_2−xMg_x (x = 0.2, 0.5, 1). After hydrogenation of CaLi₂ and CaMg₂, the Laves phase disappeared. The CaH₂ and LiH phases were formed from CaLi₂ and the CaH₂ and Mg phases from CaMg₂, respectively. CaLi_2−xMg_x (0 < x < 2) ternary alloys formed stable hydride phases with the C14-type Laves phase structure in contrast to CaLi₂ and CaMg₂ binary alloys.     

Thermodynamic modeling of the Ca–Ag binary system

The Ca–Ag binary system has been assessed with CALPHAD approach based on experiment information about phase diagram and thermodynamic properties. The excess Gibbs energies of the solution phases including liquid, bcc and fcc were formulated with Redlich–Kister polynomial functions. The intermetallic compounds Ca₂Ag₉, Ca₂Ag₇, CaAg₂, CaAg, Ca₅Ag₃ and Ca₃Ag were treated as stoichiometric phases. Self-consistent thermodynamic parameters have been obtained and the calculated results agree well with most literature data. Several diagrams and tables concerning the Ca–Ag system are presented.     

Subsolidus phase relations in the system ZnO–P2O5–MoO3

The subsolidus phase relations of the ternary system ZnO–P₂O₅–MoO₃ were investigated by means of X-ray diffraction (XRD). Seven binary compounds and eight 3-phase regions were determined, and no ternary compound was found in this system. The phase diagram of pseudo-binary system Zn₃(PO₄)₂–Zn₃Mo₂O₉ was also constructed through XRD and differential thermal analysis (DTA) methods, and the result reveals this system is eutectic system. The eutectic temperature is 904 °C and the corresponding component is 30% Zn₃Mo₂O₉ and 70% Zn₃(PO₄)₂.     

Subsolidus phase relations of the ZnO–Li2O–P2O5 system

As a systematic search for suitable flux to grow zinc oxide single crystals, the subsolidus phase relations of the ternary system ZnO–Li₂O–P₂O₅ were investigated by means of X-ray diffraction (XRD). There are 6 binary compounds, 5 ternary compounds and 17 three-phase regions in this system. A new compound, Li₆Zn(P₂O₇)₂, is found in this system based on XRD experiments. The phase diagrams of the pseudo-binary systems Li₃PO₄–ZnO and LiZnPO₄–ZnO are investigated. It shows that the compounds, Li₃PO₄ and LiZnPO₄, are not suitable as flux for the growth of ZnO single crystals below 1250 °C.     

Experimental determination and thermodynamic assessment of the phase diagram in the Co–Zr system

The phase diagram in the Co–Zr system was determined using the electron probe microanalyzer (EPMA), differential thermal analysis (DTA) and X-ray diffraction (XRD) technique. The experimental results indicate that (1) the solubility region of the Co₂Zr phase is from 25 to 34 at.% Zr; (2) the CoZr₃ phase exists and the temperature of the peritectoid reaction (CoZr₂ + (βZr) ↔ CoZr₃) is about 981 °C; (3) the solubilities of Zr in the (αCo) phase and Co in the (βZr) phase are about 0.15 and 2.5 at.%, respectively. A thermodynamic assessment of the Co–Zr binary system was carried out by the CALPHAD (calculation of phase diagrams) method. The Gibbs free energies of the solution phases (liquid, fcc, bcc and hcp) were described by the subregular solution model, and those of the intermetallic compounds (Co₁₁Zr₂, Co₂₃Zr₆, Co₂Zr, CoZr, CoZr₂ and CoZr₃) were described by the sublattice model. A proper set of the thermodynamic parameters has been derived for describing the Gibbs free energies of each phase in the Co–Zr system. An agreement between the calculated results and experimental data is obtained.     

Isothermal section of the Gd–Co–V ternary system at 773 K

The isothermal section of the phase diagram of the Gd–Co–V ternary system at 773 K was investigated by X-ray powder diffraction (XRD), metallographic analysis, electron probe microanalysis, and differential thermal analysis (DTA) techniques. The isothermal section consists of 14 single-phase regions, 26 two-phase regions and 13 three-phase regions. The solid solubilities of V in the compounds Co₁₇Gd₂, Co₃Gd, Co₂Gd, Co₇Gd₁₂ and CoGd₃ were about 10.0, 2.0, 6.0, 1.2 and 5.3 at.% V, respectively. It was found that there are some homogeneity range in the only ternary compound of GdCo_12−xV_x with x = 2.6–3.7 at 773 K. No solubility of Gd in compounds Co₃V, σCoV or CoV₃ was observed. There is no solubility of V in Co₇Gd₂ or Co₃Gd₄ observed at 773 K.     

Phase diagram of In2Te3–Cr3Te4

Based on the results of a physico-chemical analysis, the equilibrium diagram of the In₂Te₃–Cr₃Te₄ section of the In–Cr–Te ternary system has been constructed. The section is quasi-binary and at the basic component ratio of 1:1 the ternary compound In₂Cr₃Te₇ with a peritectic melting character is formed. Both basic components at 300 K have homogeneity regions with limits of 5.5 and 2 mol% from the In₂Te₃ and Cr₃Te₄ sides, respectively.     

Phase relations and flux research for zinc oxide crystal growth in the ZnO–K2O–P2O5 system

The subsolidus phase relations of the ternary system ZnO–K₂O–P₂O₅ were investigated by means of X-ray diffraction (XRD). There are 7 binary compounds, 6 ternary compounds and 20 three-phase regions in this system. The phase diagram of the pseudo-binary system KZn₄(PO₄)₃–ZnO was also investigated by means of XRD and differential thermal analysis (DTA) methods. KZn₄(PO₄)₃–ZnO is a eutectic system with eutectic temperature about 952 °C and eutectic point at about 2 mol% ZnO. Only narrow composition range in the KZn₄(PO₄)₃–ZnO system is suitable for the growth of ZnO crystals.     

Microstructure and grain refining performance of a new Al–Ti–C–B master alloy

A kind of Al–Ti–C–B master alloy with a uniform microstructure is prepared using a melt reaction method. It is found that the average grain size of α-Al can be reduced from 3500 to 170 μm by the addition of 0.2 wt.% of the prepared Al–5Ti–0.3C–0.2B and the refining efficiency does not fade obviously within 60 min. It is considered that the TiC_xB_y and TiB_2−mC_n particles found at the grain center are the effective and stable nucleating substrates for α-Al during solidification, which accounts for the good grain refining performance.     

The phase equilibria of the Al–Ce–Ni system at 500 °C

The phase equilibria at 500 °C in the Al–Ce–Ni system in the composition region of 0–33.3 at.% Ce are investigated using XRD and SEM/EDX techniques applied to equilibrated alloys. The previously reported ternary phases and the variation of the lattice parameters versus the composition for different solid solution phases are investigated. It is confirmed that τ₂(Al₂CeNi) exists at 500 °C, while τ₃(Al₅Ce₂Ni₅) does not exist at 500 °C. A new compound τ₉ with composition of about Al₃₅Ce_16.5Ni_48.5 is found. The solubility of Ni in Al₁₁Ce₃ and αAl₃Ce is generally about 1 at.%, while the solubility of Ni in Al₂Ce is measured to be 2.7 at.%. The solubility of Ce in Al₃Ni, Al₃Ni₂, AlNi and AlNi₃ is all less than 1 at.%. The solubility of Al in CeNi₅, Ce₂Ni₇ and CeNi₃ is measured to be 30.4, 4.8 and 9.2 at.%, respectively, while there is no detectable solubility for Al in CeNi₂. A revised isothermal section at 500 °C in the Al–Ce–Ni system has been presented.     

Nonstoichiometry and P–T–x diagrams of binary systems

A P–T–x three-dimensional space diagram forms the complete representation between pressure (P), temperature (T) and composition (x) of coexisting phases—solid (S), liquid (L) and vapor (V). It gives the number of nonstoichiometric compounds that may be formed by the components and the stability limits of phases which are in equilibrium. Definitions of stoichiometry and nonstoichiometry are given. Some features of P–T–x diagrams with nonstoichiometric compounds are considered: maximum (T_m^max) and congruent (T_m^c) melting points, difference between the compositions of solid (x^S), liquid (x^L) and vapor (x^V): x^L≠x^S≠x^V at maximum melting point T=T_m^max, the width and position of the homogeneity range, and the nonstoichiometry caused by defects are also discussed. A new technique for the investigation of P–T–x diagrams is presented.     

Oxidation of a quaternary two-phase Cu–40Ni–17.5Cr–2.5Al alloy at 973–1073 K in 101 kPa O2

Oxidation of a quaternary two-phase Cu–40Ni–17.5Cr–2.5Al (at.%) alloy was investigated at 973–1073 K in 101 kPa O₂. The alloy is composed of two phases. One light phase with lower Cr content forms the matrix of the alloy, and the other medium gray phase richer in Cr is presented in the form of continuous islands. At 973 and 1073 K, the kinetic curves for the present alloy deviate evidently from the parabolic rate law. They show a large mass gain in initial stage, and then their oxidation rates decrease evidently with time until they become very small up to 24 h. Cross sectional morphologies show the present alloy is able to form continuous external scales of chromia over the alloy surface with a gradual decrease in the oxidation rate. However, the previous studies showed that a ternary two-phase Cu–40Ni–20Cr alloy is unable to form protective external scales of chromia over the alloy surface, but is able to form a thin and very irregularly continuous layer of chromia at the top of the mixed internal oxidation region. Therefore, substituting Cr in Cu–40Ni–20Cr alloy with 2.5 at.% Al is able to decrease the critical content required to form Cr oxide and help to form continuous external scales of chromia under lower Cr content in two-phase alloys.     

The microstructures and mechanical properties of cast Mg–Zn–Al–RE alloys

The microstructures and mechanical properties of cast Mg–Zn–Al–RE alloys with 4 wt.% RE and variable Zn and Al contents were investigated. The results show that the alloys mainly consist of α-Mg, Al₂REZn₂, Al₄RE and τ-Mg₃₂(Al,Zn)₄₉ phases, and a little amount of the β-Mg₁₇Al₁₂ phase will also be formed with certain Zn and Al contents. When increasing the Zn or Al content, the distribution of the Al₂REZn₂ and Al₄RE phases will be changed from cluster to dispersed, and the content of τ-Mg₃₂(Al,Zn)₄₉ phase increased gradually. The distribution of the Al₂REZn₂ and Al₄RE phases, and the content of β- or τ-phase are critical to the mechanical properties of Mg–Zn–Al–RE alloys. The Mg–6Zn–5Al–4RE alloy with cluster Al₂REZn₂ phase and low content of β-phase, exhibits the optimal mechanical properties, and the ultimate tensile strength, yield strength and elongation are 242 MPa, 140 MPa and 6.4% at room temperature, respectively.     

Phase equilibria on the ternary Mg–Mn–Ce system at the Mg-rich corner

Three isopleths at the Mg-rich corner of Mg–Mn–Ce ternary system were investigated via thermal analysis, SEM/EPMA and XRD. A ternary eutectic reaction was observed at 1 wt.% Mn and 23 wt.% Ce and 592 °C. A solid-solution type ternary intermetallic compound, (Mg,Mn)₁₂Ce, was observed with 0.5 at% solid solubility of Mn in the tetragonal Mg₁₂Ce. With the aid of thermodynamic modeling and experiments, a revised phase diagram for the binary Mg–Ce system and the isopleths of 0.6, 1.8 and 2.5 wt.% Mn were proposed up to 25 wt.% Ce.     

Influences of the substitution of Fe for Ni on structures and electrochemical performances of the as-cast and quenched La0.7Mg0.3Co0.45Ni2.55−xFex (x = 0–0.4) electrode alloys

In order to improve the cycle stability of the La–Mg–Ni system PuNi₃-type hydrogen storage electrode alloys, Ni in the alloy was partially substituted by Fe. The La_0.7Mg_0.3Co_0.45Ni_2.55−xFe_x (x = 0, 0.1, 0.2, 0.3, 0.4) hydrogen storage alloys were prepared by casting and rapid quenching. The effects of the substitution of Fe for Ni on the structures and electrochemical performances of the as-cast and quenched alloys were investigated in detail. The results of the electrochemical measurement indicate that the substitution of Fe for Ni obviously decreases the discharge capacity, high rate discharge capability (HRD) and discharge potential of the as-cast and quenched alloys, but it significantly improves their cycle stabilities, and its positive impact on the cycle life of as-quenched alloy is much more significant than on that of the as-cast one. The microstructure of the alloys analyzed by XRD, SEM and TEM show that the as-cast and quenched alloys have a multiphase structure which is composed of two major phases (La, Mg)Ni₃ and LaNi₅ as well as a residual phase LaNi₂. The substitution of Fe for Ni helps the formation of a like amorphous structure in the as-quenched alloy. With the increase of Fe content, the grain sizes of the as-quenched alloys significantly reduce, and the lattice constants and cell volumes of the alloys obviously increase.