DifFusion couples, Fe-6.8 wt% Al-1.0 wt% Si/Fe and Fe-6.3 wt% Al-0.9 wt% Si/Fe were constructed and separately annealed at 1050℃ for 3 h and at 1000℃ for 64 h. The concentration profiles of Fe, Al and Si atoms in th...DifFusion couples, Fe-6.8 wt% Al-1.0 wt% Si/Fe and Fe-6.3 wt% Al-0.9 wt% Si/Fe were constructed and separately annealed at 1050℃ for 3 h and at 1000℃ for 64 h. The concentration profiles of Fe, Al and Si atoms in these couples were measured by electron probe micro-analysis （EPMA）, while the diffusion behavior was also simulated by coupling thermodynamic and kinetic properties of Fe-Al-Si system. The simulation results were in good agreement with the measured concentration profiles showing the validity of dynamic parameters of Fe-Al-Si system, Calculation was made for Fe-7 wt% Al-1 wt% Si/Fe diffusion couples at 1000℃ with different diffusion time. Silicon uphill was found under the influence of aluminum.展开更多
Knowledge of diffusivity is a prerequisite for understanding many scientific and technological disciplines. In this paper, firstly major experimental methods, which are employed to provide various diffusivity data, ar...Knowledge of diffusivity is a prerequisite for understanding many scientific and technological disciplines. In this paper, firstly major experimental methods, which are employed to provide various diffusivity data, are briefly described. Secondly, the fun-damentals of various computational methods, including first-principles method, embedded atomic method/molecular dynamic simulation, semi-empirical approaches, and phenomenological DICTRA technique, are demonstrated. Diffusion models re- cently developed for order/disorder transitions and stoichiometric compounds are also briefly depicted. Thirdly, a newly estab- lished diffusivity database for liquid, fcc_A1, Lie, bcc_A2, bcc_B2, and interrnetallic phases in the multicomponent A1 alloys is presented via a few case studies in binary, ternary and quaternary systems. And the integration of various computational techniques and experimental methods is highlighted. The reliability of this diffusivity database is validated by comparing the calculated and measured concentration profiles, diffusion paths, and Kirkendall shifts in various binary, ternary and quaternary diffusion couples. Next, the established diffusivity databases along with thermodynamic and other thermo-physical properties are utilized to simulate the microstructural evolution for Al alloys during solidification, interdiffusion and precipitation. A spe- cial discussion is presented on the phase-field simulation of interdiffusion microstructures in a series of Ni-Al diffusion couples composed of γ, γ＇, and β phases under the effects of both coherent strain and external compressive force. Future orientations in the establishment of next generation of diffusivity database are finally addressed.展开更多
本研究制备了一系列Co-Cr-V合金,在1200℃下扩散处理259 200 s。利用电子探针显微分析(EPMA)技术测定了各扩散偶的浓度-距离曲线,并根据测得的浓度-距离曲线用Whittle and Green方法计算了Co-Cr-V三元系在1200℃下的互扩散系数。基于本...本研究制备了一系列Co-Cr-V合金,在1200℃下扩散处理259 200 s。利用电子探针显微分析(EPMA)技术测定了各扩散偶的浓度-距离曲线,并根据测得的浓度-距离曲线用Whittle and Green方法计算了Co-Cr-V三元系在1200℃下的互扩散系数。基于本研究的实验数据和文献报道的热力学信息和相关子二元系的动力学参数,利用DICTRA软件优化得到Co-Cr-V体系fcc相的原子迁移率参数。运用优化得到的原子迁移率参数计算互扩散系数,并与实验数据比对,取得较好的一致性,从而验证了所得迁移率参数的可靠性。同时运用该迁移率参数计算了各扩散偶的浓度-距离曲线和扩散路径,计算结果与实验数据均符合良好,进一步验证了参数的合理性和准确性。展开更多
基金supported by the National Natural Science Foundation of China under Grant Nos. 50971137 and 50934011the National Basic Research program of China under GrantNo. 2010CB630802.
文摘DifFusion couples, Fe-6.8 wt% Al-1.0 wt% Si/Fe and Fe-6.3 wt% Al-0.9 wt% Si/Fe were constructed and separately annealed at 1050℃ for 3 h and at 1000℃ for 64 h. The concentration profiles of Fe, Al and Si atoms in these couples were measured by electron probe micro-analysis （EPMA）, while the diffusion behavior was also simulated by coupling thermodynamic and kinetic properties of Fe-Al-Si system. The simulation results were in good agreement with the measured concentration profiles showing the validity of dynamic parameters of Fe-Al-Si system, Calculation was made for Fe-7 wt% Al-1 wt% Si/Fe diffusion couples at 1000℃ with different diffusion time. Silicon uphill was found under the influence of aluminum.
基金supported by the National Basic Research Program of China (Grant No. 2011CB610401)the Creative Research Group of the National Natural Science Foundation of China (Grant No. 51021063)+1 种基金the National Natural Science Foundation of China (Grant No. 50831007)the Science Center for Phase Diagrams & Materials Design and Manu-facture, Central South University
文摘Knowledge of diffusivity is a prerequisite for understanding many scientific and technological disciplines. In this paper, firstly major experimental methods, which are employed to provide various diffusivity data, are briefly described. Secondly, the fun-damentals of various computational methods, including first-principles method, embedded atomic method/molecular dynamic simulation, semi-empirical approaches, and phenomenological DICTRA technique, are demonstrated. Diffusion models re- cently developed for order/disorder transitions and stoichiometric compounds are also briefly depicted. Thirdly, a newly estab- lished diffusivity database for liquid, fcc_A1, Lie, bcc_A2, bcc_B2, and interrnetallic phases in the multicomponent A1 alloys is presented via a few case studies in binary, ternary and quaternary systems. And the integration of various computational techniques and experimental methods is highlighted. The reliability of this diffusivity database is validated by comparing the calculated and measured concentration profiles, diffusion paths, and Kirkendall shifts in various binary, ternary and quaternary diffusion couples. Next, the established diffusivity databases along with thermodynamic and other thermo-physical properties are utilized to simulate the microstructural evolution for Al alloys during solidification, interdiffusion and precipitation. A spe- cial discussion is presented on the phase-field simulation of interdiffusion microstructures in a series of Ni-Al diffusion couples composed of γ, γ＇, and β phases under the effects of both coherent strain and external compressive force. Future orientations in the establishment of next generation of diffusivity database are finally addressed.
基金International Science and Technology Cooperation Program of China(2014DFA53040)National Natural Science Foundation of China(51571168)
文摘本研究制备了一系列Co-Cr-V合金,在1200℃下扩散处理259 200 s。利用电子探针显微分析(EPMA)技术测定了各扩散偶的浓度-距离曲线,并根据测得的浓度-距离曲线用Whittle and Green方法计算了Co-Cr-V三元系在1200℃下的互扩散系数。基于本研究的实验数据和文献报道的热力学信息和相关子二元系的动力学参数,利用DICTRA软件优化得到Co-Cr-V体系fcc相的原子迁移率参数。运用优化得到的原子迁移率参数计算互扩散系数,并与实验数据比对,取得较好的一致性,从而验证了所得迁移率参数的可靠性。同时运用该迁移率参数计算了各扩散偶的浓度-距离曲线和扩散路径,计算结果与实验数据均符合良好,进一步验证了参数的合理性和准确性。
基金National Key Basic Research and Development Program of China(2016YFB0701401,2017YFB0702901)National Natural Science Foundation of China(51571168,51771158,51471138)International Science and Technology Cooperation Program of China(2014DFA53040)
文摘建立了热等静压扩散连接的数学模型,利用DICTRA软件与Thermal-Calc软件相结合的方法计算了不同温度、不同时间热等静压扩散连接界面反应层元素的互扩散规律与相分布情况,并根据计算结果给出了建议的扩散连接工艺范围,为工艺参数的设计提供了理论依据.计算结果表明:与时间相比,温度对扩散连接界面的元素扩散影响更大.针对DD407/FGH95合金系,扩散连接温度应选择在1120—1210℃的温度区间内.综合考虑扩散连接的元素互扩散区宽度及界面元素富集情况,1120℃时扩散连接的合理扩散时间为3—5 h,1170和1210℃时扩散连接的合理扩散时间为1—3 h.
