Recent progress on research activities of phase diagrams in our laboratory has been presented. Experimental studies and thermodynamic calculations based on CALPHAD (Calculation of Phase Diagrams) method have been cond...Recent progress on research activities of phase diagrams in our laboratory has been presented. Experimental studies and thermodynamic calculations based on CALPHAD (Calculation of Phase Diagrams) method have been conducted in the following alloy systems.1.Database on microalloying steels including carbide, nitride and sulfide is now being constructed.2.ADAMIS (Alloy Database for Micro-Solders) containing 8 elements of Ag, Bi, Cu,In, Sb, Sn, Zn and Pb has been constructed, which can handle all combinations of these elements and all composition ranges.3.A thermodynamic database of Cu-base alloys including Cu-X binary system and Cu-Fe, Cu-Ni, Cu-Cr base ternary systems has been constructed.4.Experimental and thermodynamic calculations on Fe, Ni, Co and Ti aluminides have been conducted.5.Experimental and thermodynamic calculations on Co base magnetic recording media have been conducted.6.Thermodynamic analysis of interaction between magnetic and chemical orderings has been performed.By utilizing the information on phase diagrams, the following advanced materials have been developed. (A)New type of high speed steel with high hardness about Hv≈1000 by carbide dispersion carburizing method. (B)New Pb-free machinable stainless steel using titanium carbosulphide. (C)New Pb-free solder for Die-attaching use. (D)Shape memory alloys; Cu-base, Ferromagnetic Ni-base and Fe-base. (E)Invar alloys. (F)Egg-type powder.Typical examples of phase diagrams, phase stability, database and its application for the development of advanced materials will be presented.展开更多
A multi-stage influence diagram is used to model the pilot＇s sequential decision making in one on one air combat. The model based on the multi-stage influence diagram graphically describes the elements of decision pr...A multi-stage influence diagram is used to model the pilot＇s sequential decision making in one on one air combat. The model based on the multi-stage influence diagram graphically describes the elements of decision process, and contains a point-mass model for the dynamics of an aircraft and takes into account the decision maker＇s preferences under uncertain conditions. Considering an active opponent, the opponent＇s maneuvers can be modeled stochastically. The solution of multistage influence diagram can be obtained by converting the multistage influence diagram into a two-level optimization problem. The simulation results show the model is effective.展开更多
Two loosely coupled single degree of freedom (SDOF) systems were used to model the flexural and direct shear responses of one-way reinforced concrete slabs subjected to explosive loading. Blast test results show that ...Two loosely coupled single degree of freedom (SDOF) systems were used to model the flexural and direct shear responses of one-way reinforced concrete slabs subjected to explosive loading. Blast test results show that the SDOF systems are accurate in predicting the failure mode of the slab under blast loads by incorporating the effects of the strain rate effect caused by rapid load application. Based on different damage criteria, pressure-impulse (P-I) diagrams of the two failure modes were analyzed with the SDOF systems. The effects of span length, concrete strength, and reinforcement ratio of the slab on the P-I diagram were also investigated. Results indicate that a slab tends to fail in direct shear mode when it is of a smaller span length and tends to fail in flexure mode when it is of a larger span length. With the increase of the concrete strength or reinforced ratio, both the flexure and shear capacity increase. Based on numerical results, a simplified method and a semi analytical equation for deriving the P-I diagram are proposed for different failure modes and damage levels.展开更多
Curing behavior of a model epoxies system (E-54/AG-80) with DDS as hardener was studied in this paper. Round disk compression mode DMA was executed to study the gel behaviors at different temperatures to determine the...Curing behavior of a model epoxies system (E-54/AG-80) with DDS as hardener was studied in this paper. Round disk compression mode DMA was executed to study the gel behaviors at different temperatures to determine the relationship between gel-time (t_ gel) and temperature. The cure kinetics was studied by dynamic DSC analysis. Parameters were obtained for establishing a phenomenological cure reaction model. The relationship between glass transition temperature (T_g) and cure degree (α) was also analyzed by both isothermal and dynamic DSC method based on DiBenedetto equation, which gave a mathematical description of T_g as a function of both time and temperature. Consequently, characteristic temperatures such as T_ g0, gelT_ g and T_ g∞ were determined. Finally, the Time-Temperature-Transition (TTT) diagram was designed based on the data and equations.展开更多
A comprehensive thermodynamic model, which combined the Helgeson Kirkham-Flowers （HKF） equation of state for standard-state thermodynamic properties of all species with realistic activity coefficient model developed...A comprehensive thermodynamic model, which combined the Helgeson Kirkham-Flowers （HKF） equation of state for standard-state thermodynamic properties of all species with realistic activity coefficient model developed by BROMLEY, was used to calculate the thermodynamic equilibrium, and a graphical method was developed to construct predominance existence diagrams （PED） for copper-ammonia-chloride in the presence of realistically modeled aqueous solutions. The existence of the different predominant chemical species for Cu（lI） predicted by the diagrams was corroborated by spectrophotometrical studies and X-ray diffractometry. The simulated and experimental results indicate that the predominance of a given species in solution strongly depends on the pH value in this system. More quantitative information on real copper hydrometallurgy in the presence of ammonia and chloride can be obtained from these diagrams compared with the conventional predominance existence diagrams.展开更多
System of systems architecture（SoSA） has received increasing emphasis by scholars since Zachman ignited its flame in 1987. Given its complexity and abstractness, it is critical to validate and evaluate SoSA to ensur...System of systems architecture（SoSA） has received increasing emphasis by scholars since Zachman ignited its flame in 1987. Given its complexity and abstractness, it is critical to validate and evaluate SoSA to ensure requirements have been met.Multiple qualities are discussed in the literature of SoSA evaluation, while research on functionality is scarce. In order to assess SoSA functionality, an extended influence diagram（EID） is developed in this paper. Meanwhile, a simulation method is proposed to elicit the conditional probabilities in EID through designing and executing SoSA. An illustrative anti-missile architecture case is introduced for EID development, architecture design, and simulation.展开更多
A new two-step synthetic method was successfully developed to simplify the recrystallization process of lithium difluoro(oxalate)borate(LiODFB).Meanwhile,the purity of LiODFB as-prepared was determined by NMR,ICP-AES ...A new two-step synthetic method was successfully developed to simplify the recrystallization process of lithium difluoro(oxalate)borate(LiODFB).Meanwhile,the purity of LiODFB as-prepared was determined by NMR,ICP-AES and Karl Fisher measurements,respectively.The as-prepared LiODFB presents a high purity up to 99.95%.Its metal ions and water contents are under good control as well.Besides,its structure information and thermal properties were confirmed by FTIR,Raman and DSC-TGA analyses,respectively.LiODFB exerts fine thermostability and hypo-water-sensitivity and its structure information agrees well with previous literature.Furthermore,a combination of phase diagram and Raman spectroscopy were utilized to study the thermal phase behavior and ions coordination of LiODFB-DMC binary system to optimize the synthesis and recrystallization process.Although there are three types of molecular interaction forms(CIPs,AGG-IIa,AGG-IIIb)in LiODFB-DMC binary system,LiODFB can only be isolated as large single crystal solvate as LiODFB·(DMC)3/2 by slowly cooling subjected to the nucleation kinetics.Therefore,the fundamental information of our work is helpful in accelerating the application of LiODFB in Li-ion secondary batteries.展开更多
Aqueous E pH Diagram is an essential tool for analyzing hydrometallurgical and corrosion processes. Due to the requirements for environmental protection and energy saving in recent years, waste water processing a...Aqueous E pH Diagram is an essential tool for analyzing hydrometallurgical and corrosion processes. Due to the requirements for environmental protection and energy saving in recent years, waste water processing and hydrometallurgical process of concentrate have been greatly developed. The construction of E pH diagrams has turned to multi component systems. However, there are some limits in plotting such diagrams. There is only one diagram for one multi component system, which can not reflect the truth of the aqueous reaction. In the paper, a new computation method is proposed to construct E pH diagrams. Component activity term is used to determine the boundary of stable areas. For the multi component systems, different atom ratios of elements have been taken into account. M S H 2O system is chosen to study since it is of importance in metallurgical solution. Compared with conventional methods, the algorithm is simple and conforms to real conditions.展开更多
The mathematical topological rule was applied to plot the predominance area diagram.Based on the analysis of the mutually conjugated,only two diagrams were the best topological embryonic graphs to build the predominan...The mathematical topological rule was applied to plot the predominance area diagram.Based on the analysis of the mutually conjugated,only two diagrams were the best topological embryonic graphs to build the predominance area diagram of Me-S-O system.Combined with topological rules and thermodynamic calculation,four relation-diagrams were denoted asαandβstable and unstable plane-topological diagrams,which were plotted for the Pb-S-O system and Zn-S-O system.The results show thatβstable plane-topological diagram of Pb-S-O system andαstable one of Zn-S-O system are in accordance with the traditional predominance area diagram,which indicates that it is feasible to plot the predominance area diagram based on mathematical topological rules.Meanwhile,αunstable plane-topological diagram of Pb-S-O system can elucidate the phenomenon that metallic lead exists in higher oxygen and sulfur pressure area in modern bath smelting furnace.The mathematical topological rules broaden the application scope of the predominance area diagram and enrich the practice of its plotting.展开更多
The lg c-pH diagram of the CaCl2-Ca（OH）2-H2O system and its two subsystems at 298.15 K are constructed according to the theory of thermodynamic equilibrium. The interaction characteristics between the solubility of ...The lg c-pH diagram of the CaCl2-Ca（OH）2-H2O system and its two subsystems at 298.15 K are constructed according to the theory of thermodynamic equilibrium. The interaction characteristics between the solubility of CaCl2 and Ca（OH）e can be found out from the diagrams. CaCl26H2O （s）, Ca（OH）2（s） and solution coexist when the pH value of solution is about 10.8. CaC12 with the minimum solubility of 1 682.4 g/L is in equilibrium with solution when the pH value is lower than 9.4, and Ca（OH）2 with the minimum solubility of 2.749 g/L is in equilibrium with solution at the pH value over 12.1, which provides a theoretical basis for the treatment and reuse of calcium chloride mother liquor for collocating lime cream which is the precipitant in the process of synthesizing magnesium hydroxide.展开更多
The coarsening of particles dispersed in a solution was found by Ostwald in 1900. Then, the following cubic law between mean radius (r-) and annealing time (t) was established by Lifshitz-Slyozov and Wagner in 1961. I...The coarsening of particles dispersed in a solution was found by Ostwald in 1900. Then, the following cubic law between mean radius (r-) and annealing time (t) was established by Lifshitz-Slyozov and Wagner in 1961. It should be noted,however,that the above equation is valid in the coarsening of B particles in A-B solution.Therefore,some modification is necessary in the case of multi-component materials.For instance,the coarsening of (Fe,Cr)aCb in γFe-M-C matrix is described s folows;According to Eq.(2),the coarsening rate of M23C6 in heat-resistant steel(9%Cr^1%W-0.1%C)depends on the diffusion rate of Cr,because.However,experimental data inform us that the rate-de-termining element is not Cr but W as shown in Fig.1The problem is solved by modifing the formula of M23C6 from (Fe,Cr,W)23C6to Fe4(Cr,W)19C6 in this case (Fig.2).Consequently,the coarsening equation is expressed as follows.展开更多
The room temperature phase diagram of Al-Zn-Cu system is the important basis for judging the phase constituents of the materials at the usage condition. New results about the room temperature phase diagram of the low ...The room temperature phase diagram of Al-Zn-Cu system is the important basis for judging the phase constituents of the materials at the usage condition. New results about the room temperature phase diagram of the low copper side in the Al-Zn-Cu systems have been shown in this study. Miscibility gap of fcc phase in the Al-Zn-Cu system has also been studied by experimental diffusion-couple method and thermodynamic calculation. Properties of this miscibility gap have been known. It is practically significant for the study on the aging behavior and for the control of the microstructure and properties of the Al alloys with Zn and Cu element.展开更多
文摘Recent progress on research activities of phase diagrams in our laboratory has been presented. Experimental studies and thermodynamic calculations based on CALPHAD (Calculation of Phase Diagrams) method have been conducted in the following alloy systems.1.Database on microalloying steels including carbide, nitride and sulfide is now being constructed.2.ADAMIS (Alloy Database for Micro-Solders) containing 8 elements of Ag, Bi, Cu,In, Sb, Sn, Zn and Pb has been constructed, which can handle all combinations of these elements and all composition ranges.3.A thermodynamic database of Cu-base alloys including Cu-X binary system and Cu-Fe, Cu-Ni, Cu-Cr base ternary systems has been constructed.4.Experimental and thermodynamic calculations on Fe, Ni, Co and Ti aluminides have been conducted.5.Experimental and thermodynamic calculations on Co base magnetic recording media have been conducted.6.Thermodynamic analysis of interaction between magnetic and chemical orderings has been performed.By utilizing the information on phase diagrams, the following advanced materials have been developed. (A)New type of high speed steel with high hardness about Hv≈1000 by carbide dispersion carburizing method. (B)New Pb-free machinable stainless steel using titanium carbosulphide. (C)New Pb-free solder for Die-attaching use. (D)Shape memory alloys; Cu-base, Ferromagnetic Ni-base and Fe-base. (E)Invar alloys. (F)Egg-type powder.Typical examples of phase diagrams, phase stability, database and its application for the development of advanced materials will be presented.
文摘A multi-stage influence diagram is used to model the pilot＇s sequential decision making in one on one air combat. The model based on the multi-stage influence diagram graphically describes the elements of decision process, and contains a point-mass model for the dynamics of an aircraft and takes into account the decision maker＇s preferences under uncertain conditions. Considering an active opponent, the opponent＇s maneuvers can be modeled stochastically. The solution of multistage influence diagram can be obtained by converting the multistage influence diagram into a two-level optimization problem. The simulation results show the model is effective.
基金Project(JC11-02-18) supported by the Scientific Foundation of National University of Defense Technology, ChinaProject(11202236) supported by the National Natural Science Foundation of China
文摘Two loosely coupled single degree of freedom (SDOF) systems were used to model the flexural and direct shear responses of one-way reinforced concrete slabs subjected to explosive loading. Blast test results show that the SDOF systems are accurate in predicting the failure mode of the slab under blast loads by incorporating the effects of the strain rate effect caused by rapid load application. Based on different damage criteria, pressure-impulse (P-I) diagrams of the two failure modes were analyzed with the SDOF systems. The effects of span length, concrete strength, and reinforcement ratio of the slab on the P-I diagram were also investigated. Results indicate that a slab tends to fail in direct shear mode when it is of a smaller span length and tends to fail in flexure mode when it is of a larger span length. With the increase of the concrete strength or reinforced ratio, both the flexure and shear capacity increase. Based on numerical results, a simplified method and a semi analytical equation for deriving the P-I diagram are proposed for different failure modes and damage levels.
文摘Curing behavior of a model epoxies system (E-54/AG-80) with DDS as hardener was studied in this paper. Round disk compression mode DMA was executed to study the gel behaviors at different temperatures to determine the relationship between gel-time (t_ gel) and temperature. The cure kinetics was studied by dynamic DSC analysis. Parameters were obtained for establishing a phenomenological cure reaction model. The relationship between glass transition temperature (T_g) and cure degree (α) was also analyzed by both isothermal and dynamic DSC method based on DiBenedetto equation, which gave a mathematical description of T_g as a function of both time and temperature. Consequently, characteristic temperatures such as T_ g0, gelT_ g and T_ g∞ were determined. Finally, the Time-Temperature-Transition (TTT) diagram was designed based on the data and equations.
基金Project(2007CB613601) supported by the National Basic Research Program of China
文摘A comprehensive thermodynamic model, which combined the Helgeson Kirkham-Flowers （HKF） equation of state for standard-state thermodynamic properties of all species with realistic activity coefficient model developed by BROMLEY, was used to calculate the thermodynamic equilibrium, and a graphical method was developed to construct predominance existence diagrams （PED） for copper-ammonia-chloride in the presence of realistically modeled aqueous solutions. The existence of the different predominant chemical species for Cu（lI） predicted by the diagrams was corroborated by spectrophotometrical studies and X-ray diffractometry. The simulated and experimental results indicate that the predominance of a given species in solution strongly depends on the pH value in this system. More quantitative information on real copper hydrometallurgy in the presence of ammonia and chloride can be obtained from these diagrams compared with the conventional predominance existence diagrams.
基金supported by the National Natural Science Foundation of China(71571189)
文摘System of systems architecture（SoSA） has received increasing emphasis by scholars since Zachman ignited its flame in 1987. Given its complexity and abstractness, it is critical to validate and evaluate SoSA to ensure requirements have been met.Multiple qualities are discussed in the literature of SoSA evaluation, while research on functionality is scarce. In order to assess SoSA functionality, an extended influence diagram（EID） is developed in this paper. Meanwhile, a simulation method is proposed to elicit the conditional probabilities in EID through designing and executing SoSA. An illustrative anti-missile architecture case is introduced for EID development, architecture design, and simulation.
基金Project(51371198)supported by the National Natural Science Foundation of ChinaProject(K1202039-11)supported by the Science and Technology Project of Changsha,China
文摘A new two-step synthetic method was successfully developed to simplify the recrystallization process of lithium difluoro(oxalate)borate(LiODFB).Meanwhile,the purity of LiODFB as-prepared was determined by NMR,ICP-AES and Karl Fisher measurements,respectively.The as-prepared LiODFB presents a high purity up to 99.95%.Its metal ions and water contents are under good control as well.Besides,its structure information and thermal properties were confirmed by FTIR,Raman and DSC-TGA analyses,respectively.LiODFB exerts fine thermostability and hypo-water-sensitivity and its structure information agrees well with previous literature.Furthermore,a combination of phase diagram and Raman spectroscopy were utilized to study the thermal phase behavior and ions coordination of LiODFB-DMC binary system to optimize the synthesis and recrystallization process.Although there are three types of molecular interaction forms(CIPs,AGG-IIa,AGG-IIIb)in LiODFB-DMC binary system,LiODFB can only be isolated as large single crystal solvate as LiODFB·(DMC)3/2 by slowly cooling subjected to the nucleation kinetics.Therefore,the fundamental information of our work is helpful in accelerating the application of LiODFB in Li-ion secondary batteries.
文摘Aqueous E pH Diagram is an essential tool for analyzing hydrometallurgical and corrosion processes. Due to the requirements for environmental protection and energy saving in recent years, waste water processing and hydrometallurgical process of concentrate have been greatly developed. The construction of E pH diagrams has turned to multi component systems. However, there are some limits in plotting such diagrams. There is only one diagram for one multi component system, which can not reflect the truth of the aqueous reaction. In the paper, a new computation method is proposed to construct E pH diagrams. Component activity term is used to determine the boundary of stable areas. For the multi component systems, different atom ratios of elements have been taken into account. M S H 2O system is chosen to study since it is of importance in metallurgical solution. Compared with conventional methods, the algorithm is simple and conforms to real conditions.
基金Project(2011AA061003) supported by the High-Tech Research and Development Program of China
文摘The mathematical topological rule was applied to plot the predominance area diagram.Based on the analysis of the mutually conjugated,only two diagrams were the best topological embryonic graphs to build the predominance area diagram of Me-S-O system.Combined with topological rules and thermodynamic calculation,four relation-diagrams were denoted asαandβstable and unstable plane-topological diagrams,which were plotted for the Pb-S-O system and Zn-S-O system.The results show thatβstable plane-topological diagram of Pb-S-O system andαstable one of Zn-S-O system are in accordance with the traditional predominance area diagram,which indicates that it is feasible to plot the predominance area diagram based on mathematical topological rules.Meanwhile,αunstable plane-topological diagram of Pb-S-O system can elucidate the phenomenon that metallic lead exists in higher oxygen and sulfur pressure area in modern bath smelting furnace.The mathematical topological rules broaden the application scope of the predominance area diagram and enrich the practice of its plotting.
基金Project(2008BAB35B04) supported by National High Technology Research and Development Program of ChinaProject(2010QZZD003) supported by Advanced Research Program of Central South University,China
文摘The lg c-pH diagram of the CaCl2-Ca（OH）2-H2O system and its two subsystems at 298.15 K are constructed according to the theory of thermodynamic equilibrium. The interaction characteristics between the solubility of CaCl2 and Ca（OH）e can be found out from the diagrams. CaCl26H2O （s）, Ca（OH）2（s） and solution coexist when the pH value of solution is about 10.8. CaC12 with the minimum solubility of 1 682.4 g/L is in equilibrium with solution when the pH value is lower than 9.4, and Ca（OH）2 with the minimum solubility of 2.749 g/L is in equilibrium with solution at the pH value over 12.1, which provides a theoretical basis for the treatment and reuse of calcium chloride mother liquor for collocating lime cream which is the precipitant in the process of synthesizing magnesium hydroxide.
文摘The coarsening of particles dispersed in a solution was found by Ostwald in 1900. Then, the following cubic law between mean radius (r-) and annealing time (t) was established by Lifshitz-Slyozov and Wagner in 1961. It should be noted,however,that the above equation is valid in the coarsening of B particles in A-B solution.Therefore,some modification is necessary in the case of multi-component materials.For instance,the coarsening of (Fe,Cr)aCb in γFe-M-C matrix is described s folows;According to Eq.(2),the coarsening rate of M23C6 in heat-resistant steel(9%Cr^1%W-0.1%C)depends on the diffusion rate of Cr,because.However,experimental data inform us that the rate-de-termining element is not Cr but W as shown in Fig.1The problem is solved by modifing the formula of M23C6 from (Fe,Cr,W)23C6to Fe4(Cr,W)19C6 in this case (Fig.2).Consequently,the coarsening equation is expressed as follows.
文摘The room temperature phase diagram of Al-Zn-Cu system is the important basis for judging the phase constituents of the materials at the usage condition. New results about the room temperature phase diagram of the low copper side in the Al-Zn-Cu systems have been shown in this study. Miscibility gap of fcc phase in the Al-Zn-Cu system has also been studied by experimental diffusion-couple method and thermodynamic calculation. Properties of this miscibility gap have been known. It is practically significant for the study on the aging behavior and for the control of the microstructure and properties of the Al alloys with Zn and Cu element.
