新型Ni-Cr基GH648合金成分对热力学平衡相析出行为的影响

通过热力学平衡相计算方法并采用相应的Ni基数据库,对1种新型高铬的Ni-Cr基GH648合金成分对平衡相析出的影响规律进行系统研究。结果认为GH648合金析出的主要平衡相为α-Cr,γ′相和M23C6碳化物(主要为Cr23C6),并进一步计算了合金成分对这些相的析出行为及合金初熔点和终熔点的影响规律。计算结果表明,Cr含量主要影响α-Cr的析出量及开始析出温度,并影响合金的初熔点,对以Cr为主的M23C6的析出行为没有明显影响。C显著影响碳化物的析出量,而Al,Ti增加显著增加γ′相的析出量和开始析出温度。

新型难变形高温合金эк151的组织特征及平衡析出相热力学计算

利用场发射扫描电子显微镜对其铸态组织进行了观察,并通过热力学计算,对该合金中成分对平衡相析出的影响规律进行了研究。结果表明,эк151合金凝固过程中,Mo、Nb和Ti等元素在枝晶间偏析,并形成大量γ′+γ共晶相。合金主要析出相为大量的γ′相、少量的一次、二次碳化物和硼化物以及μ相。其中强化相γ′多成立方状,800℃下平衡态质量分数含量高达50%左右。当成分在规定范围波动时,对熔点影响最大的为Cr、Mo、Nb和Ti;而Al、Ti和Nb含量变化均会影响到γ′相的析出量及析出温度;Cr、Mo含量变化还会影响到二次碳化物的种类,Ti、Nb、C虽然是一次碳化物MC的主要形成元素,但是成分范围内对其析出温度影响并不明显。影响μ相析出温度和析出量的主要成分为Cr、Mo和W。

一种新型Fe-Ni-Cr基高温合金组织特征及平衡相析出热力学研究

采用超高分辨场发射扫描电镜对一种新型Fe-Ni-Cr基合金进行了组织特征观察,并利用热力学计算软件Thermo-Calc对合金中可能析出的平衡相及元素含量变化对合金熔点及各相析出行为影响进行了计算分析。结果表明,C含量的增加可以明显提高MC及M_(23)C_6的析出量和析出温度;Ti作为MC的主要形成元素,其含量增加对MC析出量基本无影响,但可显著扩大MC的析出温度范围;Al、Ti含量的增加均可提高γ′相的析出量和析出温度,Al的影响尤为显著;降低Al或提高Ti含量均会显著提高η相的析出量和析出温度;W作为参与MC形成的元素,其含量增加对于促进MC形成的作用不明显;合金元素Al、Ti、W含量的增加均会降低初熔点,Al和Ti的影响更为明显。

4Cr9Si2阀门钢丝冷拔过程中脆断的失效分析

用扫描电镜 /能谱分析、X射线萃取相分析和Thermo -Calc热力学相计算等方法 ,分析了 4Cr9Si2阀门钢丝在冷拔过程中发生脆断的原因。结果表明 ,钢丝脆断是由于中间退火温度选择不合理 ,使 (Cr,Fe) 7C3

Thermodynamic optimization of Bi-Ni binary system

Based on the available experimental data,the Bi-Ni binary system was optimized thermodynamically by the CALPHAD method.The solution phases,including liquid,fcc_A1（Ni） and rhombohedral_A7（Bi）,were described as substitutional solution phases,of which the excess Gibbs energies were expressed with the Redlich-Kister polynomial.The intermetallic compound,BiNi,was modeled using three sublattices（Bi）（Ni,Va）（Ni,Va） considering its crystal structure（NiAs-type） and the compatibility of thermodynamic database in the multi-component systems,while Bi3Ni was treated as a stoichiometric compound.Finally,a set of self-consistent thermodynamic parameters formulating the Gibbs energies of various phases in this binary system were obtained.The calculated results are in reasonable agreement with the reported experimental data.

Thermodynamic re-assessment of Fe-Ti binary system

The Fe-Ti binary system was re-assessed using the CALPHAD method in order to improve the capability of being extrapolated to a ternary or higher-order system. Compared with previous assessments, the main focus was put on the thermodynamic description of the two intermetallic compounds Fe2Ti and FeTi. The C14_Laves phase Fe2Ti was described by the two-sublattice model, which is widely used at present. By checking the homogeneity range on the boundary of the ternary systems involving the binary, the phase boundary of this compound was further confirmed. The FeTi phase with a BCC_B2 crystal structure was treated as the ordered phase of the BCC_A2 phase and a unified Gibbs energy function was used to describe both the ordered and disordered phases. Reproduction of the specific heat capacities of these compounds was another aspect paid particular attention to. Comprehensive comparisons of the calculated and experimental results regarding the phase diagram and thermodynamic properties show a good agreement between them and prove the validity of the present thermodynamic description.

Thermodynamic assessment of Ni-Yb binary system

On the basis of the experimental data of phase equilibria and thermochemical properties available from literatures, a critical assessment for the Ni?Yb binary system was carried out using the CALPHAD (calculation of phase diagrams) method. The liquid phase is modeled as the associate model with the constituent species Ni, Yb and YbNi3, owing to the sharp change of the enthalpy of mixing of liquid phase at the composition of around 25% Yb (mole fraction). The terminal solid solutions FCC_A1 (Ni/Yb) and BCC_A2 (Yb) are described by the substitutional solution model with the Redlich?Kister polynomial. The intermetallic compounds, Yb2Ni17, YbNi5, YbNi3, YbNi2, α-YbNi and β-YbNi, are treated as strict stoichiometric compounds, since there are no noticeable homogeneity ranges reported for these compounds. A set of self-consistent thermodynamic parameters for the Ni?Yb binary system are obtained. According to the presently assessed results, the thermochemical properties and the phase boundary data can be well reproduced.

Effect of nonlinear liquidus and solidus on dendrite growth in bulk undercooled melts

On the base of nonlinear liquidus and solidus,an extended model for dendrite growth in bulk undercooled melts was developed under local non-equilibrium conditions both at the interface and in the bulk liquid.In terms of thermodynamic calculations of the phase diagram,the model predictions are relatively realistic physically,since few fitting parameters are used in the model predictions.Adopting three characteristic velocities,i.e.the critical velocity of absolute solute stability(VC*),the velocity of maximal tip radius(VRm),and the velocity of bulk liquid diffusion(VD),a quantitative agreement is obtained between the model predictions and the experimental results in undercooled Ni-0.7%B and Ni-1%Zr(molar fraction) alloys,and the overall solidification process can be categorized.

Diffusional transformation in Ti6Al4V alloy during isothermal compression

Thermodynamic calculation of the two-phase Ti alloy was completed using Compu Therm Pandat? and Ti data base, followed by isothermal compression of Ti6 Al4 V(Grade 5), with an initial colony lamellar structure that was performed in the(α+β) and β-phase field. Microstructural evolution and phase transformation were investigated using X-ray diffraction, scanning and transmission electron microscopy. The presence of the Ti3 Al or α2(hcp), the phase stability and transition temperatures were predicted by the Gibbs free energy-temperature and phase fraction-temperature diagrams. The isothermal compression in the(α+β)-phase field is characterized by reorientation and localized kinking of α/β lamellae, and cracking at α/β interphase regions. While in the α→β-phase transformation area, deformation in β-phase and at α/β interphase boundaries, extensive transformation of α into β-phase, martensitic transformation and spheroidization of α-laths mainly characterize this isothermal compression. A complete transformation of α into β single phase occurs in the β-phase field. Ti3 Al or α2(hcp),β(bcc) and α(hcp)-phase, and additional hcp α’ and orthorhombic α' phases in a deformed Ti6 Al4 V are revealed. The flow stress level, the dynamic recovery and dynamic globularization are affected by deformation temperature.

Calculation of interaction of AlCl, AlCl_2 and AlCl_3 on Al_4C_3(001) Al_4CO_4(001) and Al_2CO(001) planes

To make sure the intermediate products of the carbothermic reduction of Al2O3 process, such as Al4CO4, Al2CO and Al4C3,and the interaction of AlCl, AlCl2, AlCl3 with Al4CO4, Al2CO and Al4C3, respectively, thermodynamic analyses were used to study the chloride reaction production of them under the vacuum situation. The stable structures and electronic properties of AlCl, AlCl2 and AlCl3 adsorbed on Al4CO4, Al2CO and Al4C3 were calculated by first-principles calculations by the CASTEP module in the Materials Studio program. The results show that the AlCl3 and AlCl2 molecules have decomposed on the plane of Al4C3（001）, while there are no obvious decomposition of AlCl3 and AlCl2 on Al4CO4（001） and Al2CO（001） planes. The adsorption of AlCl on the Al4CO4（001）and Al2CO（001） planes is stronger than that on the Al4C3（001） plane. The interaction strength of AlCl3, as well as AlCl2, with Al4CO4,Al2CO and Al4C3 is in the sequence of Al4CO4Al2CO〉Al4C3.