In-situ refractory metal intermetallic composites(RMICs) based either on (Nb, Si) or (Mo, Si, B) are candidate materials for ultra-high temperature applications (>1400 ℃). To provide a balance of mechanical and en...In-situ refractory metal intermetallic composites(RMICs) based either on (Nb, Si) or (Mo, Si, B) are candidate materials for ultra-high temperature applications (>1400 ℃). To provide a balance of mechanical and environmental properties, Nb-Si composites are typically alloyed with Ti and Cr, and Mo-Si-B composites are alloyed with Ti. Phase diagrams of Nb-Cr-Ti-Si and Mo-Si-B-Ti, as prerequisite knowledge for advanced materials design and processing development, are critically needed. The phase diagrams in the metal-rich regions of multicomponent Nb-Cr-Ti-Si and Mo-Si-B-Ti were rapidly established using the Calphad (Calculation of phase diagram) approach coupled with key experiments. The calculated isotherms, isopleths, and solidification paths were validated by experimental work. The important heterogeneous multiphase equilibria in both quaternary systems identified will offer engineers the opportunity to develop materials with a balance of properties for high-temperature applications.展开更多
A cellular automaton-lattice Boltzmann coupled model is extended to study the dendritic growth with melt convection in the solidification of ternary alloys. With a CALPHAD-based phase equilibrium engine, the effects o...A cellular automaton-lattice Boltzmann coupled model is extended to study the dendritic growth with melt convection in the solidification of ternary alloys. With a CALPHAD-based phase equilibrium engine, the effects of melt convection, solutal diffusion, interface curvature and preferred growth orientation are incorporated into the coupled model. After model validation, the multi dendritic growth of the Al-4.0 wt%Cu-1.0 wt%Mg alloy is simulated under the conditions of pure diffusion and melt convection. The result shows that the dendritic growth behavior, the final microstructure and microsegregation are significantly influenced by melt convection in the solidification.展开更多
In order to develop high strength Mg-Gd-Y-Zn alloys,key experiments coupled with CALPHAD(CALculation of PHAse Diagrams)calculations were carried out in the current work to provide critical understanding of this import...In order to develop high strength Mg-Gd-Y-Zn alloys,key experiments coupled with CALPHAD(CALculation of PHAse Diagrams)calculations were carried out in the current work to provide critical understanding of this important alloy system.Three Mg-10 Gd-xY-yZn(x=4 or 5,y=3 or 5,wt.%) were mapped on Mg-Gd-Y-Zn phase diagrams for phase equilibria and microstructure investigation.Electron microscopy was performed for phase identification and phase fraction determination in as-cast and solution treated conditions.In all three alloys,the major phases were Mg-matrix and long period stacking order(LPSO) 14 H phase.With ST at 400 and 500℃,the phase fraction of LPSO 14 H increased,particularly the fine lamellar morphology in the Mg matrix.The as-cast and 400℃ Mg10 Gd5 Y3 Zn samples had Mg(Gd,Y) present.At 500℃,Mg(Gd,Y) is not stable and transforms into LPSO 14 H.The Mg 10 Gd5 Y5 Zn alloy included the WPhase,which showed a reduction in phase fraction with solution treatment.These experimental results were used to validate and improve the thermodynamic database of the Mg-Gd-Y-Zn system.Thermodynamic calculations using the improved database can well describe the available experimental results and make accurate predictions to guide the development of promising high-strength Mg-Gd-Y-Zn alloys.展开更多
Liquidus projection usually refers to a two-dimensional projection of ternary liquidus univariant lines at constant pressure. The algorithms used in Pandat for the calculation of liquidus projection with isothermal li...Liquidus projection usually refers to a two-dimensional projection of ternary liquidus univariant lines at constant pressure. The algorithms used in Pandat for the calculation of liquidus projection with isothermal lines and invariant reaction equations in a ternary system are presented. These algorithms have been extended to multicomponent liquidus projections and have also been implemented in Pandat. Some examples on ternary and quaternary liquidus projections are presented.展开更多
An integrated modeling tool coupling thermo- dynamic calculation and kinetic simulation of multicom- ponent alloys is developed under the framework of integrated computational materials engineering. On the basis of Pa...An integrated modeling tool coupling thermo- dynamic calculation and kinetic simulation of multicom- ponent alloys is developed under the framework of integrated computational materials engineering. On the basis of PandatTM software for multicomponent phase diagram calculation, the new tool is designed in an inte- grated workspace and is targeted to understand the com- position-processing-structure-property relationships of multicomponent systems. In particular, the phase diagram calculation module is used to understand the phase stability under the given conditions. The calculated phase equilib- rium information, such as phase composition and chemical driving force, provides input for the kinetic simulation. In this paper, the design of the modeling tool will be pre- sented and the calculation examples from the different modules will also be demonstrated.展开更多
文摘In-situ refractory metal intermetallic composites(RMICs) based either on (Nb, Si) or (Mo, Si, B) are candidate materials for ultra-high temperature applications (>1400 ℃). To provide a balance of mechanical and environmental properties, Nb-Si composites are typically alloyed with Ti and Cr, and Mo-Si-B composites are alloyed with Ti. Phase diagrams of Nb-Cr-Ti-Si and Mo-Si-B-Ti, as prerequisite knowledge for advanced materials design and processing development, are critically needed. The phase diagrams in the metal-rich regions of multicomponent Nb-Cr-Ti-Si and Mo-Si-B-Ti were rapidly established using the Calphad (Calculation of phase diagram) approach coupled with key experiments. The calculated isotherms, isopleths, and solidification paths were validated by experimental work. The important heterogeneous multiphase equilibria in both quaternary systems identified will offer engineers the opportunity to develop materials with a balance of properties for high-temperature applications.
基金Supported by the National Natural Science Foundation of China under Grant Nos 51306037 and 51371051
文摘A cellular automaton-lattice Boltzmann coupled model is extended to study the dendritic growth with melt convection in the solidification of ternary alloys. With a CALPHAD-based phase equilibrium engine, the effects of melt convection, solutal diffusion, interface curvature and preferred growth orientation are incorporated into the coupled model. After model validation, the multi dendritic growth of the Al-4.0 wt%Cu-1.0 wt%Mg alloy is simulated under the conditions of pure diffusion and melt convection. The result shows that the dendritic growth behavior, the final microstructure and microsegregation are significantly influenced by melt convection in the solidification.
基金partially funded by the Army Research Laboratory (ARL) and Terves LLCsupported by the Army Contracting Command - Adelphi, MD under Contract No W911QX-18-P-0038
文摘In order to develop high strength Mg-Gd-Y-Zn alloys,key experiments coupled with CALPHAD(CALculation of PHAse Diagrams)calculations were carried out in the current work to provide critical understanding of this important alloy system.Three Mg-10 Gd-xY-yZn(x=4 or 5,y=3 or 5,wt.%) were mapped on Mg-Gd-Y-Zn phase diagrams for phase equilibria and microstructure investigation.Electron microscopy was performed for phase identification and phase fraction determination in as-cast and solution treated conditions.In all three alloys,the major phases were Mg-matrix and long period stacking order(LPSO) 14 H phase.With ST at 400 and 500℃,the phase fraction of LPSO 14 H increased,particularly the fine lamellar morphology in the Mg matrix.The as-cast and 400℃ Mg10 Gd5 Y3 Zn samples had Mg(Gd,Y) present.At 500℃,Mg(Gd,Y) is not stable and transforms into LPSO 14 H.The Mg 10 Gd5 Y5 Zn alloy included the WPhase,which showed a reduction in phase fraction with solution treatment.These experimental results were used to validate and improve the thermodynamic database of the Mg-Gd-Y-Zn system.Thermodynamic calculations using the improved database can well describe the available experimental results and make accurate predictions to guide the development of promising high-strength Mg-Gd-Y-Zn alloys.
基金Projects （50371015 and 50471030） supported by the National Natural Science Foundation of China Project （DMR-0309468） supported by NSF through the FRG
文摘Liquidus projection usually refers to a two-dimensional projection of ternary liquidus univariant lines at constant pressure. The algorithms used in Pandat for the calculation of liquidus projection with isothermal lines and invariant reaction equations in a ternary system are presented. These algorithms have been extended to multicomponent liquidus projections and have also been implemented in Pandat. Some examples on ternary and quaternary liquidus projections are presented.
文摘An integrated modeling tool coupling thermo- dynamic calculation and kinetic simulation of multicom- ponent alloys is developed under the framework of integrated computational materials engineering. On the basis of PandatTM software for multicomponent phase diagram calculation, the new tool is designed in an inte- grated workspace and is targeted to understand the com- position-processing-structure-property relationships of multicomponent systems. In particular, the phase diagram calculation module is used to understand the phase stability under the given conditions. The calculated phase equilib- rium information, such as phase composition and chemical driving force, provides input for the kinetic simulation. In this paper, the design of the modeling tool will be pre- sented and the calculation examples from the different modules will also be demonstrated.
