利用Pandat相平衡热力学计算软件优化和计算了Ir-Pt二元相图。采用SGTE(Science Group Thermodata Europe)数据库中的表达式描述纯组元(Ir和Pt)的Gibbs自由能,采用固溶体相热力学模型描述Ir-Pt二元体系中的液相和固溶体相。利用Pandat中...利用Pandat相平衡热力学计算软件优化和计算了Ir-Pt二元相图。采用SGTE(Science Group Thermodata Europe)数据库中的表达式描述纯组元(Ir和Pt)的Gibbs自由能,采用固溶体相热力学模型描述Ir-Pt二元体系中的液相和固溶体相。利用Pandat中的PanOptimizer优化平台,并结合最新的相关数据,对Ir-Pt二元体系中各相的参数进行了优化,优化得到了Ir-Pt二元体系中各相的热力学参数。利用优化的热力学参数对Ir-Pt二元合金相图进行了计算,计算得到的相图表明调幅分解的临界点为995℃、50%Ir(摩尔分数)左右,与SGTE贵金属合金数据库所提出的Ir-Pt二元体系在相图和热力学数据上都较为吻合。展开更多
利用Pandat软件优化和计算了Ti-Nb-Zr三元系相图。采用SGTE(scientific group thermodata Europe)数据库中的表达式描述纯组元的吉布斯能,选取置换溶体模型和双亚点阵模型来描述液相和固溶体相。利用Pandat软件的PanOptimizer模块并结...利用Pandat软件优化和计算了Ti-Nb-Zr三元系相图。采用SGTE(scientific group thermodata Europe)数据库中的表达式描述纯组元的吉布斯能,选取置换溶体模型和双亚点阵模型来描述液相和固溶体相。利用Pandat软件的PanOptimizer模块并结合文献中相平衡和热力学性质的实验数据,重新评估了Ti-Nb和Ti-Zr二元系的热力学参数以改善Ti-Nb-Zr三元系的热力学描述。利用优化得到的热力学参数进行相平衡和热力学性质的计算,计算结果与文献实验结果吻合较好,该结果对Ti-Nb-Zr三元系生物医学材料的开发有重要的指导意义。展开更多
Ti5553-xFe (x=0.4, 1.2, 2.0, wt.%) alloys have been designed and fabricated through BE (blended element) sintering to investigate the effect of Fe-addition on athermal ω-phase transformation, α-phase evolution and a...Ti5553-xFe (x=0.4, 1.2, 2.0, wt.%) alloys have been designed and fabricated through BE (blended element) sintering to investigate the effect of Fe-addition on athermal ω-phase transformation, α-phase evolution and age hardening behavior. The results show that the formation of athermal ω-phase is fully suppressed in water-quenched specimens when Fe-addition is up to 2 wt.%. The relevant timescales of α formation during initial stages of aging indicate that incubation time increases with Fe-addition. Further aging results in continuous nucleation and growth of α-phase but finer intragranular α lamellae exhibit in Ti5553-2Fe alloy. In addition, the width and extent of grain boundary α-film increase slightly with incremental Fe-addition, especially in furnace cooling condition. Result of Vickers hardness manifests that Fe-addition leads to a strong hardening effect in both solution and aging treatment. The solid solution strengthening is quantitatively estimated by ab initio calculation based on the Labusch?Nabarro model. The evolution of α-precipitate is rationalized by Gibbs free energy. The prominent hardening effect of Ti5553?2Fe alloy is attributed to both large lattice misfit of β-matrix and fine α-precipitate distribution.展开更多
文摘利用Pandat相平衡热力学计算软件优化和计算了Ir-Pt二元相图。采用SGTE(Science Group Thermodata Europe)数据库中的表达式描述纯组元(Ir和Pt)的Gibbs自由能,采用固溶体相热力学模型描述Ir-Pt二元体系中的液相和固溶体相。利用Pandat中的PanOptimizer优化平台,并结合最新的相关数据,对Ir-Pt二元体系中各相的参数进行了优化,优化得到了Ir-Pt二元体系中各相的热力学参数。利用优化的热力学参数对Ir-Pt二元合金相图进行了计算,计算得到的相图表明调幅分解的临界点为995℃、50%Ir(摩尔分数)左右,与SGTE贵金属合金数据库所提出的Ir-Pt二元体系在相图和热力学数据上都较为吻合。
文摘利用Pandat软件优化和计算了Ti-Nb-Zr三元系相图。采用SGTE(scientific group thermodata Europe)数据库中的表达式描述纯组元的吉布斯能,选取置换溶体模型和双亚点阵模型来描述液相和固溶体相。利用Pandat软件的PanOptimizer模块并结合文献中相平衡和热力学性质的实验数据,重新评估了Ti-Nb和Ti-Zr二元系的热力学参数以改善Ti-Nb-Zr三元系的热力学描述。利用优化得到的热力学参数进行相平衡和热力学性质的计算,计算结果与文献实验结果吻合较好,该结果对Ti-Nb-Zr三元系生物医学材料的开发有重要的指导意义。
基金Projects(51671158,51871176,51621063)supported by the National Natural Science Foundation of ChinaProject(2014CB644003)supported by the National Basic Research Program of China+1 种基金Project(PB2018008)supported by the 111 Project 2.0,ChinaProject(2018JM5098)supported by the Natural Science Basic Research Plan in Shaanxi Province of China
文摘Ti5553-xFe (x=0.4, 1.2, 2.0, wt.%) alloys have been designed and fabricated through BE (blended element) sintering to investigate the effect of Fe-addition on athermal ω-phase transformation, α-phase evolution and age hardening behavior. The results show that the formation of athermal ω-phase is fully suppressed in water-quenched specimens when Fe-addition is up to 2 wt.%. The relevant timescales of α formation during initial stages of aging indicate that incubation time increases with Fe-addition. Further aging results in continuous nucleation and growth of α-phase but finer intragranular α lamellae exhibit in Ti5553-2Fe alloy. In addition, the width and extent of grain boundary α-film increase slightly with incremental Fe-addition, especially in furnace cooling condition. Result of Vickers hardness manifests that Fe-addition leads to a strong hardening effect in both solution and aging treatment. The solid solution strengthening is quantitatively estimated by ab initio calculation based on the Labusch?Nabarro model. The evolution of α-precipitate is rationalized by Gibbs free energy. The prominent hardening effect of Ti5553?2Fe alloy is attributed to both large lattice misfit of β-matrix and fine α-precipitate distribution.
