The experiment employed the use of melt purification and cyclic superheating technique to achieve maximum undercooling of Ni65Cu31Co4 alloy at 300K.Simultaneously,high-speed photography techniques were used to capture...The experiment employed the use of melt purification and cyclic superheating technique to achieve maximum undercooling of Ni65Cu31Co4 alloy at 300K.Simultaneously,high-speed photography techniques were used to capture the process of alloy liquid phase interface migration,and analyzed the relationship between the shape characteristics of the front end of alloy solidification and undercooling.The microstructure of the alloy was observed through metallographic microscopy,and the micro-morphological characteristics and evolution of the rapidly solidified microstructure were systematically studied.It is found that the grain refinement mechanism of Ni-Cu-Co ternary alloy is similar to that of Ni-Cu binary alloy.Grain refinement at low undercooling is caused by intense dendritic remelting,while grain refinement at high undercooling is attributed to recrystallization,driven by the stress and plastic strain accumulated from the interaction of liquid flow and primary dendrites caused by rapid solidification.It also shows that the addition of the third element Co plays a significant role in solidification rate and re-ignition effect.展开更多
The electrochemical methanol oxidation is a crucial reaction in the conversion of renewable energy.To enable the widespread adoption of direct methanol fuel cells(DMFCs),it is essential to create and engineer catalyst...The electrochemical methanol oxidation is a crucial reaction in the conversion of renewable energy.To enable the widespread adoption of direct methanol fuel cells(DMFCs),it is essential to create and engineer catalysts that are both highly effective and robust for conducting the methanol oxidation reaction(MOR).In this work,trimetallic PtCoRu electrocatalysts on nitrogen-doped carbon and multi-wall carbon nanotubes(PtCoRu@NC/MWCNTs)were prepared through a two-pot synthetic strategy.The acceleration of CO oxidation to CO_(2) and the blocking of CO reduction on adjacent Pt active sites were attributed to the crucial role played by cobalt atoms in the as-prepared electrocatalysts.The precise control of Co atoms loading was achieved through precursor stoichiometry.Various physicochemical techniques were employed to analyze the morphology,element composition,and electronic state of the catalyst.Electrochemical investigations and theoretical calculations confirmed that the Pt_(1)Co_(3)Ru_(1)@NC/MWCNTs exhibit excellent electrocatalytic performance and durability for the process of MOR.The enhanced MOR activity can be attributed to the synergistic effect between the multiple elements resulting from precisely controlled Co loading content on surface of the electrocatalyst,which facilitates efficient charge transfer.This interaction between the multiple components also modifies the electronic structures of active sites,thereby promoting the conversion of intermediates and accelerating the MOR process.Thus,achieving precise control over Co loading in PtCoRu@NC/MWCNTs would enable the development of high-performance catalysts for DMFCs.展开更多
A comprehensive study on Sn macrosegregation behavior in ternary Al-Sn-Cu alloys was carried out by comparative analysis between gravity casting and squeeze casting samples.The microstructure and Sn distribution of th...A comprehensive study on Sn macrosegregation behavior in ternary Al-Sn-Cu alloys was carried out by comparative analysis between gravity casting and squeeze casting samples.The microstructure and Sn distribution of the castings were characterized by metallography,scanning electron microscopy(SEM),energy-dispersive X-ray(EDX)spectroscopy,and a direct reading spectrometer.Results show that there are obvious differences in Sn morphology between gravity casting and squeeze casting alloys.Under squeeze casting condition,the grain size of the casting is smaller and the distribution ofβ(Sn)is uniform.This effectively reduces the segregation of triangular grain boundary as well as the segregation of Sn.The segregation types of Sn in gravity casting and squeeze casting samples are obviously different.The upper surfaces of gravity casting samples show severe negative segregation,while all the lower surfaces have positive segregation.Compared with gravity casting,squeeze casting solidifies under isostatic pressure.Due to the direct contact between the upper surface of the casting and the mold,the casting solidifies faster under higher undercooling degree and pressure.Consequently,the uniform distribution of Sn reduces the segregation phenomenon on the surface of the casting.展开更多
To improve the comprehensive mechanical properties of Al-Si-Cu alloy,it was treated by a high-pressure torsion process,and the effect of the deformation degree on the microstructure and properties of the Al-Si-Cu allo...To improve the comprehensive mechanical properties of Al-Si-Cu alloy,it was treated by a high-pressure torsion process,and the effect of the deformation degree on the microstructure and properties of the Al-Si-Cu alloy was studied.The results show that the reinforcements(β-Si andθ-CuAl_(2)phases)of the Al-Si-Cu alloy are dispersed in theα-Al matrix phase with finer phase size after the treatment.The processed samples exhibit grain sizes in the submicron or even nanometer range,which effectively improves the mechanical properties of the material.The hardness and strength of the deformed alloy are both significantly raised to 268 HV and 390.04 MPa by 10 turns HPT process,and the fracture morphology shows that the material gradually transits from brittle to plastic before and after deformation.The elements interdiffusion at the interface between the phases has also been effectively enhanced.In addition,it is found that the severe plastic deformation at room temperature induces a ternary eutectic reaction,resulting in the formation of ternary Al+Si+CuAl_(2)eutectic.展开更多
The results of the calculation of thermodynamic properties in liquid state for ternary Al-Ni-Zn alloys using the newest version of the general solution model for thermodynamic prediction are presented. Nine sections w...The results of the calculation of thermodynamic properties in liquid state for ternary Al-Ni-Zn alloys using the newest version of the general solution model for thermodynamic prediction are presented. Nine sections with different molar ratios of Ni to Zn, Zn to Al and Al to Ni were investigated in a temperature interval of 1800-2000 K. Partial and integral molar thermodynamic properties in liquid phase for the Al-Ni-Zn ternary system are determined and discussed.展开更多
A petal-like icosahedral quasicrystal with five branches,which is considered to be the representative morphology of the icosahedral quasicrystal,has been observed in the Y-rich Mg-Zn-Y ternary alloys. Moreover,the pol...A petal-like icosahedral quasicrystal with five branches,which is considered to be the representative morphology of the icosahedral quasicrystal,has been observed in the Y-rich Mg-Zn-Y ternary alloys. Moreover,the polygon-like morphology,another pattern of the icosahedral quasicrystal,has also been found in the Y-rich Mg-Zn-Y ternary alloys. The latter morphology results from the evolution of the former one. The growth mechanism of the petal-like morphology of the icosahedral quasicrystal was also discussed. Alloying composition,i.e.,Y element content,is a major factor inducing the morphology evolution of the icosahedral quasicrystal.展开更多
The early aging Cu precipitations in Fe-3%Cu and Fe-3%Cu-4%Ni ternary alloys are investigated by molecular dynamics (MD) simulations. The results show that the average size of Cu clusters in Fe-3%Cu-4%Ni alloy is la...The early aging Cu precipitations in Fe-3%Cu and Fe-3%Cu-4%Ni ternary alloys are investigated by molecular dynamics (MD) simulations. The results show that the average size of Cu clusters in Fe-3%Cu-4%Ni alloy is larger than that in Fe-3%Cu alloy. The diffusion of Cu is accelerated by Ni according to the mean square displacement (MSD). Furthermore, the whole formation process of Cu-rich clusters is analyzed in detail, and it is found that the presence of Ni promotes small Cu-rich clusters to be combined into big ones. Ni atoms prefer to stay at the combination positions of small clusters energetically due to a large number of the first nearest neighbor Cu-Ni interactions, which is verified by first-principles calculations based on density functional theory (DFT).展开更多
The X-ray diffraction peak-shift method was introduced into the determination of deformation fault probability (a) of Fe-Mn-Si alloys with various Mn contents and thermomechanical cycling numbers. The precise lattice ...The X-ray diffraction peak-shift method was introduced into the determination of deformation fault probability (a) of Fe-Mn-Si alloys with various Mn contents and thermomechanical cycling numbers. The precise lattice constants required were obtained by numerical calculation instead of using standard sample without any fault. The influence of internal stress on the determined a has been evaluated, and the caused relative error was determined as about 4% and thus negligible. The results show that the deformation fault probability increases with decreasing Mn-content and increasing cycle number, which are qualitatively consistent with those results of Psf determined by peak-broadening method.展开更多
A semi-empirical calculation of the heat of formation was applied to ternary system: La-Fe-Al,Fe-Ni-V and Cu-Pd-Si.The calculated values were compared with the experimental ones and the coincidence was satisfactory.Th...A semi-empirical calculation of the heat of formation was applied to ternary system: La-Fe-Al,Fe-Ni-V and Cu-Pd-Si.The calculated values were compared with the experimental ones and the coincidence was satisfactory.This method is helpful to predict the stabilities of ternary compounds and solid solubility.展开更多
Nine distinct zinc-nickel-tin films with different compositions have been galvanostatically electrodeposited. The films have been characterized by scanning electron microscopy(SEM) and energy dispersive spectrometry(E...Nine distinct zinc-nickel-tin films with different compositions have been galvanostatically electrodeposited. The films have been characterized by scanning electron microscopy(SEM) and energy dispersive spectrometry(EDS). Their corrosion potentials and densities have been estimated using Tafel extrapolation. Next, the electrochemical behaviors of the films(deposited through the electrolytes containing 0, 6, 8, and10 g/L SnCl2?6H2O) have been examined based on cyclic voltammetry(CV) measurements. Further, these films have been immersed in 3.5 wt%Na Cl solution for 1 h, 1 d, 7 d, 14 d, 28 d, and 42 d followed by application of Tafel extrapolation and electrochemical impedance spectroscopy(EIS) tests on each aged sample. Finally, to analyze the morphologies and the compositions of the oxide films covering the surfaces of the 42-d aged films, FT-IR and SEM analyses have been performed. The results indicated that the Zn–Ni–Sn film produced through the bath including 6g/L SnCl2?6H2 O exhibits superior corrosion resistance because of the high Ni content in the presence of Sn that promotes the barrier protection capability of the deposit.展开更多
The critical driving force for martensitic transformation fcc ( gamma ) yields hcp ( epsilon ) in ternary Fe-Mn-Si alloys increases with the content of Mn and decreases with that of Si. Thermodynamical prediction of ...The critical driving force for martensitic transformation fcc ( gamma ) yields hcp ( epsilon ) in ternary Fe-Mn-Si alloys increases with the content of Mn and decreases with that of Si. Thermodynamical prediction of M//s in ternary Fe-Mn-Si alloys was established. The fcc ( gamma ) yields hcp ( epsilon ) martensitic transformation in Fe-Mn-Si is a semi-thermoelastic and the nucleation process does not strongly depend on soft mode. Nucleation occurs directly through an overlapping of stacking fault rather than pole mechanism, and it is suggested that stacking fault energy (SFE) is the main factor controlling nucleation. Based on the phenomenological theory of martensite crystallography, a shuffle on (0001)//h//c//p plane is required when d//1//1//1 does not equal d//0//0//0//2. The derived principal strain in Bain distortion is smaller, i, e., more reasonable than the values given by Christian. Alloying elements strengthening the austenite, lowering SFE of gamma phase and reducing T//N** gamma temperature may be beneficial to shape memory effect of Fe-Mn-Si based alloys. Accordingly, Fe-Mn-Si-RE and Fe-Mn-Si-Cr-N (or Fe-Mn-Si-Ni-Cr-N) are worthy to be recommended as shape memory materials with improved shape memory effect. (Edited author abstract) 48 Refs.展开更多
The coordination numbers in the Molecular Interaction Volume Model can be calcu-lated from the common physical quantities of pure matters.A significant advantage ofthe model lies in its ability to predict the thermody...The coordination numbers in the Molecular Interaction Volume Model can be calcu-lated from the common physical quantities of pure matters.A significant advantage ofthe model lies in its ability to predict the thermodynamic properties of ternary liqmdalloys using only the binary infinite dilute activity coefficients,and the predicted values are in good agreement with the experimental data of ternary liquid alloys,whichshows that the model is reliable,convenient and economic.展开更多
The liquid state undercoolability and crystal growth kinetics of ternary Ni-5%Cu-5%Sn and Ni-10%Cu-10%Sn alloys are investigated by the glass fluxing method. In these two alloys, experimental maximum undercoolings of ...The liquid state undercoolability and crystal growth kinetics of ternary Ni-5%Cu-5%Sn and Ni-10%Cu-10%Sn alloys are investigated by the glass fluxing method. In these two alloys, experimental maximum undercoolings of 304 K (0.18TL ) and 286K (0.17TL ) are achieved and the dendritic growth velocities attain 39.8 and 25.1 m/s, respectively. The transition of morphology from coarse dendrite into equiaxed structure occurs and the grain size of the a (Ni) phase decreases remarkably when the undercooling increases. Both the lattice constant and microhardness increase obviously with the enhancement of undercooling. The enrichment of Cu and Sn solute contents reduces the dendritic growth velocity, while enhances the lattice constant and microhardness of a (Ni) phase.展开更多
A good deal of studies have proven that effective exciton dissociation and fast hole transport can operate efficiently in non-fullerene organic photovoltaics(OPVs)despite nearly zero driving force.Even so,whether such...A good deal of studies have proven that effective exciton dissociation and fast hole transport can operate efficiently in non-fullerene organic photovoltaics(OPVs)despite nearly zero driving force.Even so,whether such a phenomenon is universal and how small the driving force can realize the best photovoltaic performance still require a thorough understanding.Herein,despite the zero driving force based on PM6:F8IC system,a maximum short-circuit current(J_(sc))of 23.0 mA/cm^(2) and high power conversion efficiency(PCE)of 12.2%can still be achieved.Due to the continuously adjustable energy levels can be realized in organic semiconducting alloys including F8IC:IT-4F and F8IC:Y6,the suitable third components can play the role of energy level regulator.Therefore,the HOMO energy level offset(DEHOMO(D A))from zero to 0.07 and 0.06 eV is accomplished in the optimized IT-4F and Y6 ternary devices.Consequently,both ternary devices achieved substantially increased PCE of 13.8%and Jsc of 24.4 and 25.2 mA/cm^(2),respectively.Besides,pseudo-planar heterojunction(PPHJ)devices based on alloyed acceptors through sequential spin-coating method further improve the photovoltaic performance.Our work puts forward the concept of energy level regulator and prove that the ternary alloy strategy has unique advantages and huge research potential in continuously adjusting the driving force.展开更多
Ge_(50-x)Sb_xTe_(50) and Ge_(50-x)Bi_xTe_(50) ternary alloys were synthesized by vacuum melting at 1273 K with the starting materials of Ge, Bi, Sb, and Te. The lattice structures were analyzed based on X-ray ...Ge_(50-x)Sb_xTe_(50) and Ge_(50-x)Bi_xTe_(50) ternary alloys were synthesized by vacuum melting at 1273 K with the starting materials of Ge, Bi, Sb, and Te. The lattice structures were analyzed based on X-ray diffraction patterns, which could all be indexed to R3m rhombic structure. Electrical properties measurements revealed that the Ge-Sb-Te ternary alloys were p-type semiconductors with high electrical conductivity of 4.5×10~5S?m^(-1) near room temperature. And the maximum electrical property was obtained at Ge_45Sb_5Te_50, with the power factor of 2.49×10^(-3)W?m^(-1)K^(-2) at 640 K. Due to the existence of secondary phases, the electrical conductivity of Ge-Bi-Te system was lower and Seebeck coefficient was higher comparing with those of Ge-Sb-Te system.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
A Bi-2.0Zn-0.2A1 (wt%) ternary eutectic alloy was prepared using a vacuum melting furnace and a casting furnace. The samples were directionally solidified upwards at a constant growth rate (V= 18.4 μm/s) under di...A Bi-2.0Zn-0.2A1 (wt%) ternary eutectic alloy was prepared using a vacuum melting furnace and a casting furnace. The samples were directionally solidified upwards at a constant growth rate (V= 18.4 μm/s) under different temperature gradients (G = 1.15-3.44 K/mm) and at a constant temperature gradient (G = 2.66 K/mm) under different growth rates (V= 8.3-500 μm/s) in a Bridgman-type directional so- lidification furnace. The dependence ofmicrostructure parameter (2) on the solidification parameters (G and V) and that of the microhardness (Hv) on the microstructure and solidification parameters were investigated. The resistivity (ρ) measurements of the studied alloy were per- formed using the standard four-point-probe method, and the temperature coefficient of resistivity (α) was calculated from the ρ-Tcurve. The enthalpy (AH) and the specific heat (Cp) values were determined by differential scanning calorimetry analysis. In addition, the thermal conductivities of samples, obtained using the Wiedemann-Franz and Smith-Palmer equations, were compared with the experimental results. The results revealed that, the thermal conductivity values obtained using the Wiedemarm-Franz and Smith-Palmer equations for the Bi-2.0Zn-0.2Al (wt%) alloy are in the range of 5.2-6.5 W/Km and 15.2-16.4 W/Km, respectively.展开更多
Structural analysis was made using X-ray diffraction (XRD) Rietveld refinement on a series of La1+xMg2-xNi9 (x=0.0-1.0) ternary alloys. Results showed that each of La1+xMg2-xNi9 alloys was a PuNi3-type structure stack...Structural analysis was made using X-ray diffraction (XRD) Rietveld refinement on a series of La1+xMg2-xNi9 (x=0.0-1.0) ternary alloys. Results showed that each of La1+xMg2-xNi9 alloys was a PuNi3-type structure stacked by LaNi5 and (La, Mg) Ni2 blocks. Electrochemical tests revealed that discharge abilities of these La-Mg-Ni ternary alloys mainly depended on their atomic distances between (La, Mg) and Ni, which could be modified by varying the atomic ratios of La/Mg.展开更多
An attempt was made on applying the Wilson equation to predict the thermodynamic proper- ties of ternary liquid alloys.The activity of each component in ternary liquid alloys was found to be conveniently calculated fr...An attempt was made on applying the Wilson equation to predict the thermodynamic proper- ties of ternary liquid alloys.The activity of each component in ternary liquid alloys was found to be conveniently calculated from the equation with the related binary bimolecular interaction parameters.The calculated values are in fair agreement with experimental data,and are veri- fied to be reliable by the criterion of classical thermodynamics.展开更多
This paper derives the expressions for the ordering degree and the modulation factor of A and B atoms in AXB1-xC epilayers of ternary III-V semiconductor alloys. Using these expressions, it identifies quantitatively t...This paper derives the expressions for the ordering degree and the modulation factor of A and B atoms in AXB1-xC epilayers of ternary III-V semiconductor alloys. Using these expressions, it identifies quantitatively the alternating atom-enhanced planes, compositional modulations, atomic ordering degree on the group-III sublattices and the fine structure of NMR spectra.展开更多
基金Funded by the Natural Science Foundation of Shanxi Province(No.202203021211093)。
文摘The experiment employed the use of melt purification and cyclic superheating technique to achieve maximum undercooling of Ni65Cu31Co4 alloy at 300K.Simultaneously,high-speed photography techniques were used to capture the process of alloy liquid phase interface migration,and analyzed the relationship between the shape characteristics of the front end of alloy solidification and undercooling.The microstructure of the alloy was observed through metallographic microscopy,and the micro-morphological characteristics and evolution of the rapidly solidified microstructure were systematically studied.It is found that the grain refinement mechanism of Ni-Cu-Co ternary alloy is similar to that of Ni-Cu binary alloy.Grain refinement at low undercooling is caused by intense dendritic remelting,while grain refinement at high undercooling is attributed to recrystallization,driven by the stress and plastic strain accumulated from the interaction of liquid flow and primary dendrites caused by rapid solidification.It also shows that the addition of the third element Co plays a significant role in solidification rate and re-ignition effect.
基金financially supported by the National Natural Science Foundation of China (52200076,22169005,52370057)the Growth Project of Young Scientific and Technological Talents in General Colleges and Universities in Guizhou Province ([2022]143)+4 种基金the Science and Technology Foundation of Guizhou Province ([2022]109)the Natural Science Special Foundation of Guizhou University (202017,702775203301)the Natural Science Foundation of Chongqing (CSTB2022NSCQ-BHX0035)the Special Research Assistant Program of Chinese Academy of Sciencethe Research Foundation of Chongqing University of Science and Technology (ckrc2022026)。
文摘The electrochemical methanol oxidation is a crucial reaction in the conversion of renewable energy.To enable the widespread adoption of direct methanol fuel cells(DMFCs),it is essential to create and engineer catalysts that are both highly effective and robust for conducting the methanol oxidation reaction(MOR).In this work,trimetallic PtCoRu electrocatalysts on nitrogen-doped carbon and multi-wall carbon nanotubes(PtCoRu@NC/MWCNTs)were prepared through a two-pot synthetic strategy.The acceleration of CO oxidation to CO_(2) and the blocking of CO reduction on adjacent Pt active sites were attributed to the crucial role played by cobalt atoms in the as-prepared electrocatalysts.The precise control of Co atoms loading was achieved through precursor stoichiometry.Various physicochemical techniques were employed to analyze the morphology,element composition,and electronic state of the catalyst.Electrochemical investigations and theoretical calculations confirmed that the Pt_(1)Co_(3)Ru_(1)@NC/MWCNTs exhibit excellent electrocatalytic performance and durability for the process of MOR.The enhanced MOR activity can be attributed to the synergistic effect between the multiple elements resulting from precisely controlled Co loading content on surface of the electrocatalyst,which facilitates efficient charge transfer.This interaction between the multiple components also modifies the electronic structures of active sites,thereby promoting the conversion of intermediates and accelerating the MOR process.Thus,achieving precise control over Co loading in PtCoRu@NC/MWCNTs would enable the development of high-performance catalysts for DMFCs.
基金financially supported by the National Natural Science Foundation of China(No.51575151)the Science and Technology Project of Anhui Province,China(No.1501021006)。
文摘A comprehensive study on Sn macrosegregation behavior in ternary Al-Sn-Cu alloys was carried out by comparative analysis between gravity casting and squeeze casting samples.The microstructure and Sn distribution of the castings were characterized by metallography,scanning electron microscopy(SEM),energy-dispersive X-ray(EDX)spectroscopy,and a direct reading spectrometer.Results show that there are obvious differences in Sn morphology between gravity casting and squeeze casting alloys.Under squeeze casting condition,the grain size of the casting is smaller and the distribution ofβ(Sn)is uniform.This effectively reduces the segregation of triangular grain boundary as well as the segregation of Sn.The segregation types of Sn in gravity casting and squeeze casting samples are obviously different.The upper surfaces of gravity casting samples show severe negative segregation,while all the lower surfaces have positive segregation.Compared with gravity casting,squeeze casting solidifies under isostatic pressure.Due to the direct contact between the upper surface of the casting and the mold,the casting solidifies faster under higher undercooling degree and pressure.Consequently,the uniform distribution of Sn reduces the segregation phenomenon on the surface of the casting.
基金Funded by the National Natural Science Foundation of China(No.51905215)Postgraduate Research&Practice Innovation Program of Jiangsu Province(No.SJCX23_1233)+1 种基金Major Scientific and Technological Innovation Project of Shandong Province of China(No.2019JZZY020111)the National College Students Innovation and Entrepreneurship Training Program of China(No.CX2022415)。
文摘To improve the comprehensive mechanical properties of Al-Si-Cu alloy,it was treated by a high-pressure torsion process,and the effect of the deformation degree on the microstructure and properties of the Al-Si-Cu alloy was studied.The results show that the reinforcements(β-Si andθ-CuAl_(2)phases)of the Al-Si-Cu alloy are dispersed in theα-Al matrix phase with finer phase size after the treatment.The processed samples exhibit grain sizes in the submicron or even nanometer range,which effectively improves the mechanical properties of the material.The hardness and strength of the deformed alloy are both significantly raised to 268 HV and 390.04 MPa by 10 turns HPT process,and the fracture morphology shows that the material gradually transits from brittle to plastic before and after deformation.The elements interdiffusion at the interface between the phases has also been effectively enhanced.In addition,it is found that the severe plastic deformation at room temperature induces a ternary eutectic reaction,resulting in the formation of ternary Al+Si+CuAl_(2)eutectic.
基金the frame of Project OI 172037 financed by the Ministry of Science and Technological Development Republic of Serbia and bilateral scientific and technological cooperation project between Republic of Serbia and China
文摘The results of the calculation of thermodynamic properties in liquid state for ternary Al-Ni-Zn alloys using the newest version of the general solution model for thermodynamic prediction are presented. Nine sections with different molar ratios of Ni to Zn, Zn to Al and Al to Ni were investigated in a temperature interval of 1800-2000 K. Partial and integral molar thermodynamic properties in liquid phase for the Al-Ni-Zn ternary system are determined and discussed.
基金the National Natural Science Foundation of China (No. 50571081)the Aviation Foundation of China (No. 04G53024).
文摘A petal-like icosahedral quasicrystal with five branches,which is considered to be the representative morphology of the icosahedral quasicrystal,has been observed in the Y-rich Mg-Zn-Y ternary alloys. Moreover,the polygon-like morphology,another pattern of the icosahedral quasicrystal,has also been found in the Y-rich Mg-Zn-Y ternary alloys. The latter morphology results from the evolution of the former one. The growth mechanism of the petal-like morphology of the icosahedral quasicrystal was also discussed. Alloying composition,i.e.,Y element content,is a major factor inducing the morphology evolution of the icosahedral quasicrystal.
基金supported by the National Natural Science Foundation of China(Grant Nos.50931003 and 51301102)the 085 Project at Shanghai University,China.
文摘The early aging Cu precipitations in Fe-3%Cu and Fe-3%Cu-4%Ni ternary alloys are investigated by molecular dynamics (MD) simulations. The results show that the average size of Cu clusters in Fe-3%Cu-4%Ni alloy is larger than that in Fe-3%Cu alloy. The diffusion of Cu is accelerated by Ni according to the mean square displacement (MSD). Furthermore, the whole formation process of Cu-rich clusters is analyzed in detail, and it is found that the presence of Ni promotes small Cu-rich clusters to be combined into big ones. Ni atoms prefer to stay at the combination positions of small clusters energetically due to a large number of the first nearest neighbor Cu-Ni interactions, which is verified by first-principles calculations based on density functional theory (DFT).
基金The present work was financially supported by the Advanced Materials Center Foundation of Shanghai, China (No. 99JC14019).
文摘The X-ray diffraction peak-shift method was introduced into the determination of deformation fault probability (a) of Fe-Mn-Si alloys with various Mn contents and thermomechanical cycling numbers. The precise lattice constants required were obtained by numerical calculation instead of using standard sample without any fault. The influence of internal stress on the determined a has been evaluated, and the caused relative error was determined as about 4% and thus negligible. The results show that the deformation fault probability increases with decreasing Mn-content and increasing cycle number, which are qualitatively consistent with those results of Psf determined by peak-broadening method.
文摘A semi-empirical calculation of the heat of formation was applied to ternary system: La-Fe-Al,Fe-Ni-V and Cu-Pd-Si.The calculated values were compared with the experimental ones and the coincidence was satisfactory.This method is helpful to predict the stabilities of ternary compounds and solid solubility.
文摘Nine distinct zinc-nickel-tin films with different compositions have been galvanostatically electrodeposited. The films have been characterized by scanning electron microscopy(SEM) and energy dispersive spectrometry(EDS). Their corrosion potentials and densities have been estimated using Tafel extrapolation. Next, the electrochemical behaviors of the films(deposited through the electrolytes containing 0, 6, 8, and10 g/L SnCl2?6H2O) have been examined based on cyclic voltammetry(CV) measurements. Further, these films have been immersed in 3.5 wt%Na Cl solution for 1 h, 1 d, 7 d, 14 d, 28 d, and 42 d followed by application of Tafel extrapolation and electrochemical impedance spectroscopy(EIS) tests on each aged sample. Finally, to analyze the morphologies and the compositions of the oxide films covering the surfaces of the 42-d aged films, FT-IR and SEM analyses have been performed. The results indicated that the Zn–Ni–Sn film produced through the bath including 6g/L SnCl2?6H2 O exhibits superior corrosion resistance because of the high Ni content in the presence of Sn that promotes the barrier protection capability of the deposit.
文摘The critical driving force for martensitic transformation fcc ( gamma ) yields hcp ( epsilon ) in ternary Fe-Mn-Si alloys increases with the content of Mn and decreases with that of Si. Thermodynamical prediction of M//s in ternary Fe-Mn-Si alloys was established. The fcc ( gamma ) yields hcp ( epsilon ) martensitic transformation in Fe-Mn-Si is a semi-thermoelastic and the nucleation process does not strongly depend on soft mode. Nucleation occurs directly through an overlapping of stacking fault rather than pole mechanism, and it is suggested that stacking fault energy (SFE) is the main factor controlling nucleation. Based on the phenomenological theory of martensite crystallography, a shuffle on (0001)//h//c//p plane is required when d//1//1//1 does not equal d//0//0//0//2. The derived principal strain in Bain distortion is smaller, i, e., more reasonable than the values given by Christian. Alloying elements strengthening the austenite, lowering SFE of gamma phase and reducing T//N** gamma temperature may be beneficial to shape memory effect of Fe-Mn-Si based alloys. Accordingly, Fe-Mn-Si-RE and Fe-Mn-Si-Cr-N (or Fe-Mn-Si-Ni-Cr-N) are worthy to be recommended as shape memory materials with improved shape memory effect. (Edited author abstract) 48 Refs.
文摘The coordination numbers in the Molecular Interaction Volume Model can be calcu-lated from the common physical quantities of pure matters.A significant advantage ofthe model lies in its ability to predict the thermodynamic properties of ternary liqmdalloys using only the binary infinite dilute activity coefficients,and the predicted values are in good agreement with the experimental data of ternary liquid alloys,whichshows that the model is reliable,convenient and economic.
基金Supported by the National Natural Science Foundation of China under Grant Nos 51327901 and 51301138the Specialized Research Fund for the Doctoral Program of Higher Education under Grant No 20126102120064+1 种基金the Aviation Science Foundation of China under Grant No 2014ZF53069the Fundamental Research Funds for the Central Universities under Grant No3102014KYJD044
文摘The liquid state undercoolability and crystal growth kinetics of ternary Ni-5%Cu-5%Sn and Ni-10%Cu-10%Sn alloys are investigated by the glass fluxing method. In these two alloys, experimental maximum undercoolings of 304 K (0.18TL ) and 286K (0.17TL ) are achieved and the dendritic growth velocities attain 39.8 and 25.1 m/s, respectively. The transition of morphology from coarse dendrite into equiaxed structure occurs and the grain size of the a (Ni) phase decreases remarkably when the undercooling increases. Both the lattice constant and microhardness increase obviously with the enhancement of undercooling. The enrichment of Cu and Sn solute contents reduces the dendritic growth velocity, while enhances the lattice constant and microhardness of a (Ni) phase.
基金support the National Natural Science Foundation of China(NSFC)(51973032,and 21905043)support from the National Natural Science Foundation of China(NSFC)(51833004)financial support by the National Key Research and Development Program of China(2017YFA0207700)。
文摘A good deal of studies have proven that effective exciton dissociation and fast hole transport can operate efficiently in non-fullerene organic photovoltaics(OPVs)despite nearly zero driving force.Even so,whether such a phenomenon is universal and how small the driving force can realize the best photovoltaic performance still require a thorough understanding.Herein,despite the zero driving force based on PM6:F8IC system,a maximum short-circuit current(J_(sc))of 23.0 mA/cm^(2) and high power conversion efficiency(PCE)of 12.2%can still be achieved.Due to the continuously adjustable energy levels can be realized in organic semiconducting alloys including F8IC:IT-4F and F8IC:Y6,the suitable third components can play the role of energy level regulator.Therefore,the HOMO energy level offset(DEHOMO(D A))from zero to 0.07 and 0.06 eV is accomplished in the optimized IT-4F and Y6 ternary devices.Consequently,both ternary devices achieved substantially increased PCE of 13.8%and Jsc of 24.4 and 25.2 mA/cm^(2),respectively.Besides,pseudo-planar heterojunction(PPHJ)devices based on alloyed acceptors through sequential spin-coating method further improve the photovoltaic performance.Our work puts forward the concept of energy level regulator and prove that the ternary alloy strategy has unique advantages and huge research potential in continuously adjusting the driving force.
基金Funded by the Science and Technology Plan of Taizhou City of Zhejiang Province(1601KY69)
文摘Ge_(50-x)Sb_xTe_(50) and Ge_(50-x)Bi_xTe_(50) ternary alloys were synthesized by vacuum melting at 1273 K with the starting materials of Ge, Bi, Sb, and Te. The lattice structures were analyzed based on X-ray diffraction patterns, which could all be indexed to R3m rhombic structure. Electrical properties measurements revealed that the Ge-Sb-Te ternary alloys were p-type semiconductors with high electrical conductivity of 4.5×10~5S?m^(-1) near room temperature. And the maximum electrical property was obtained at Ge_45Sb_5Te_50, with the power factor of 2.49×10^(-3)W?m^(-1)K^(-2) at 640 K. Due to the existence of secondary phases, the electrical conductivity of Ge-Bi-Te system was lower and Seebeck coefficient was higher comparing with those of Ge-Sb-Te system.
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financially supported by the Nigde University Scientific Research Project Unit(No.FEB 2009/02)
文摘A Bi-2.0Zn-0.2A1 (wt%) ternary eutectic alloy was prepared using a vacuum melting furnace and a casting furnace. The samples were directionally solidified upwards at a constant growth rate (V= 18.4 μm/s) under different temperature gradients (G = 1.15-3.44 K/mm) and at a constant temperature gradient (G = 2.66 K/mm) under different growth rates (V= 8.3-500 μm/s) in a Bridgman-type directional so- lidification furnace. The dependence ofmicrostructure parameter (2) on the solidification parameters (G and V) and that of the microhardness (Hv) on the microstructure and solidification parameters were investigated. The resistivity (ρ) measurements of the studied alloy were per- formed using the standard four-point-probe method, and the temperature coefficient of resistivity (α) was calculated from the ρ-Tcurve. The enthalpy (AH) and the specific heat (Cp) values were determined by differential scanning calorimetry analysis. In addition, the thermal conductivities of samples, obtained using the Wiedemann-Franz and Smith-Palmer equations, were compared with the experimental results. The results revealed that, the thermal conductivity values obtained using the Wiedemarm-Franz and Smith-Palmer equations for the Bi-2.0Zn-0.2Al (wt%) alloy are in the range of 5.2-6.5 W/Km and 15.2-16.4 W/Km, respectively.
基金This work was supported by the National Natural Science Foundation of China under grant No.50071052 and No.50131040.
文摘Structural analysis was made using X-ray diffraction (XRD) Rietveld refinement on a series of La1+xMg2-xNi9 (x=0.0-1.0) ternary alloys. Results showed that each of La1+xMg2-xNi9 alloys was a PuNi3-type structure stacked by LaNi5 and (La, Mg) Ni2 blocks. Electrochemical tests revealed that discharge abilities of these La-Mg-Ni ternary alloys mainly depended on their atomic distances between (La, Mg) and Ni, which could be modified by varying the atomic ratios of La/Mg.
文摘An attempt was made on applying the Wilson equation to predict the thermodynamic proper- ties of ternary liquid alloys.The activity of each component in ternary liquid alloys was found to be conveniently calculated from the equation with the related binary bimolecular interaction parameters.The calculated values are in fair agreement with experimental data,and are veri- fied to be reliable by the criterion of classical thermodynamics.
基金Project supported by the National Natural Science Foundation of China (Grant No 60572177)CAUC Foundation (Grant No 05yk27s)
文摘This paper derives the expressions for the ordering degree and the modulation factor of A and B atoms in AXB1-xC epilayers of ternary III-V semiconductor alloys. Using these expressions, it identifies quantitatively the alternating atom-enhanced planes, compositional modulations, atomic ordering degree on the group-III sublattices and the fine structure of NMR spectra.