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 effect of adding 0.03wt%Ni on the microstructure and mechanical properties of Al–Mg–Si–Cu–Zn alloys was systematically studied.The results reveal that the number density of spherical Fe-rich phases within grai...The effect of adding 0.03wt%Ni on the microstructure and mechanical properties of Al–Mg–Si–Cu–Zn alloys was systematically studied.The results reveal that the number density of spherical Fe-rich phases within grains increases with the addition of Ni,accompanied by the formation of Q(Al3Mg9Si7Cu2)precipitates around the spherical Fe-rich phases.Additionally,Ni addition is beneficial to reducing the grain size in the as-cast state.During the homogenization process,Q phases could be completely dissolved and the grain size could remain basically unchanged.However,compared with the Ni-free alloy,the Fe-rich phase in the Ni-containing alloy is more likely to undergo the phase transformation and further form more spherical particles during homogenization treatment.After thermomechanical processing,the distribution of Fe-rich phases in the Ni-containing alloy was further greatly improved and directly resulted in a greater formability than that of the Ni-free alloy.Accordingly,a reasonable Ni addition positively affected the microstructure and formability of the alloys.展开更多
By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L...By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L12 Al3Ti-base intermetallic compound. The results are presented using the density of states (DOS) and one-electron properties, such as relative binding tendency between the atom and the model cluster, and hybrid bonding tendency between the alloying element and the host atoms. By comparing the four models of Ti4Al14X cluster, the effect of the Fe, Ni or Cu atom on the physical properties of Al3Ti-based L12 intermetallic compounds is analyzed. The results indicate that the addition of the Fe, Ni or Cu atom intensifies the relative binding tendency between Ti atom and Ti4Al14X cluster. It was found that the Fermi level (EF) lies in a maximum in the DOS for Ti4Al14Al cluster; on the contrary, the EF comes near a minimum tn the DOS for Ti4Al14X (X=Fe, Ni and Cu) cluster. Thus the L12 crystal structure for binary Al3Ti alloy is unstable, and the addition of the Fe, Ni or Cu atom to Al3Ti is benefical to stabilize L12 crystal structure. The calculation also shows that the Fe, Ni or Cu atom strengthens the hybrid bonding tendency between the central atom and the host atoms for Ti4Al14X cluster and thereby may lead to the constriction of the lattice of Al3Ti-base intermetallic compounds.展开更多
Microstructure formed in the Fe-Ni-Co-Al-Cu-Ti permanent magnetic alloy with different treatments was studied by means of TEM observation, XRD method and SAXS technology. The results indicated that spinodal decomposi...Microstructure formed in the Fe-Ni-Co-Al-Cu-Ti permanent magnetic alloy with different treatments was studied by means of TEM observation, XRD method and SAXS technology. The results indicated that spinodal decomposition and orderiing transformation coexisted in the alloy and spinodal decomposition was completed in a short time. The ratio of component of spinodal and ordered microstructure was dependent on the cooling rate. The variation of gyration radius RG of the rod-like precipitates could be accounted for by the different growth modes of the precipitates related to strain energy and interface energy.展开更多
In the present work, the effects of Ni atoms and vacancy concentrations （0.1%, 0.5%, 1.0%） on the formation process of Cu solute clusters are investigated for Fe-1.24%Cu-0.62%Ni alloys by molecular dynamics （MD） s...In the present work, the effects of Ni atoms and vacancy concentrations （0.1%, 0.5%, 1.0%） on the formation process of Cu solute clusters are investigated for Fe-1.24%Cu-0.62%Ni alloys by molecular dynamics （MD） simulations. The presence of Ni is beneficial to the nucleation of Cu precipitates and has little effect on coarsening rate in the later stage of aging. This result is caused by reducing the diffusion coefficient of Cu clusters and the dynamic migration of Ni atoms. Additionally, there are little effects of Ni on Cu precipitates as the vacancy concentration reaches up to 1.0%, thereby explaining the embrittlement for reactor pressure vessel （RPV） steel. As a result, the findings can hopefully provide the important information about the essential mechanism of Cu cluster formation and a better understanding of ageing phenomenon of RPV steel. Furthermore, these original results are analyzed with a simple model of Cu diffusion, which suggests that the same behavior could be observed in Cu-containing alloys.展开更多
Cavitation erosion behavior of as-welded Cu12Mn8Al3Fe2Ni alloy in 3.5% NaCl aqueous solution was studied bymagnetostrictive vibratory device for cavitation erosion. The results show that the cavitation erosion resista...Cavitation erosion behavior of as-welded Cu12Mn8Al3Fe2Ni alloy in 3.5% NaCl aqueous solution was studied bymagnetostrictive vibratory device for cavitation erosion. The results show that the cavitation erosion resistance ofthe as-welded Cu12Mn8Al3Fe2Ni alloy is much more superior to that of the as-cast one. The cumulative mass lossand the mass loss rate of the as-welded Cu12Mn8Al3Fe2Ni alloy are almost 1/4 that of the as-cast one. SEM analysisof eroded specimens reveals that the as-cast Cu12Mn8Al3Fe2Ni alloy is attacked more severely than the as-weldedone. Microcracks causing cavitation damage initiate at the phase boundaries.展开更多
The influence of aging treatment on transformation behavior and shape memory of the Ti 50_x Ni_(48) Fe_2 Nb_x(x=0,0.6,0.8,1.0,and 1.2) alloys was investigated using differential scanning calorimeter(DSC),mechanical dr...The influence of aging treatment on transformation behavior and shape memory of the Ti 50_x Ni_(48) Fe_2 Nb_x(x=0,0.6,0.8,1.0,and 1.2) alloys was investigated using differential scanning calorimeter(DSC),mechanical drawing machine,and microhardness tester in this paper.It is indicated that the aging treatment has a significant effect on the phase transformation temperatures(M_s,M_f,M_p,A_s,A_f,and A_p) and microhardness of the samples.The phase transformation temperatures are found to decrease initially with the increasing aging temperature from 300 to 500 ℃ and increase with further increase of the aging temperature.The aging treatment at intermediate temperature between 400 and 500 ℃ results in an improved shape memory effect.In addition,the highest microhardness value is also obtained.展开更多
Ti44Zr32Ni22Cu2 and Ti41Zr29Ni28Cu2 alloys were prepared by the melt-spinning method. The phase structure was analyzed by X-ray diffraction,and the electrochemical performances of the melt-spun alloys were investigate...Ti44Zr32Ni22Cu2 and Ti41Zr29Ni28Cu2 alloys were prepared by the melt-spinning method. The phase structure was analyzed by X-ray diffraction,and the electrochemical performances of the melt-spun alloys were investigated. The results indicated that the Ti44Zr32Ni22Cu2 alloy was composed of the icosahedral quasicrystals and amorphous phases,and the Ti41Zr29Ni28Cu2 alloy comprised icosahedral quasicrystals,amorphous,and Laves phases. The maximum discharge capacity was 141 mAh/g for the Ti44Zr32Ni22Cu2 alloy and 181 mAh/g for the Ti41Zr29Ni28Cu2 alloy,respectively. The Ti41Zr29Ni28Cu2 alloy also showed a better high-rate dischargeability and cycling stability. The better electrochemical properties should be ascribed to the high content of Ni,which was beneficial to the electrochemical kinetic properties and made the alloy more resistant to oxidation,as well as to the Laves phase in the Ti41Zr29Ni28Cu2 alloy,which could work as the electro-catalyst and the micro-current collector.展开更多
The composition, morphology, crystalline structure and formation and evolution of X phase in a Cu 12.3Al 2Ni 2Mn 1Ti alloy were studied. The results show that the X phase is a Ti rich phase with atomic ratio of (Cu+Ni...The composition, morphology, crystalline structure and formation and evolution of X phase in a Cu 12.3Al 2Ni 2Mn 1Ti alloy were studied. The results show that the X phase is a Ti rich phase with atomic ratio of (Cu+Ni)∶ Ti∶Al=2∶1∶1 and DO 3 or L2 1 structure; it is directly formed in the liquid phase by crystallization in the process of solidification of the alloy; there forms free particle X phase through the progressive dissolution and breakdown of the inter dendritic microstructure in the following homogenization process. The X phase has three different morphologies, i.e. X L, X LS and X S, whose contents in the matrix rely on the heat treatment conditions. [展开更多
The microstructures, the phase transformation characteristics, and the mechanical properties of the Ti50Ni47Fe3 alloy in as-forged and as-cross-rolled states were investigated. It is found that, after cross-rolling, t...The microstructures, the phase transformation characteristics, and the mechanical properties of the Ti50Ni47Fe3 alloy in as-forged and as-cross-rolled states were investigated. It is found that, after cross-rolling, the phase transformation temperature （Ms） of the alloy decreases drastically and the grains get refined. Moreover, its yield strength and fracture strength after cross-rolling hit 540 MPa and 687 MPa respectively, up by about 200 MPa over those in as-forged state.展开更多
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financially supported by the National Key Research and Development Program of China(No.2016YFB0300801)the National Natural Science Foundation of China(Nos.51871029,51571023,and 51301016)+2 种基金Beijing Natural Science Foundation(No.2172038)Beijing Laboratory of Metallic Materials and Processing for Modern Transportation(No.FRF-SD-B-005B)The China Scholarship Council for financial support to M.X.Guo
文摘The effect of adding 0.03wt%Ni on the microstructure and mechanical properties of Al–Mg–Si–Cu–Zn alloys was systematically studied.The results reveal that the number density of spherical Fe-rich phases within grains increases with the addition of Ni,accompanied by the formation of Q(Al3Mg9Si7Cu2)precipitates around the spherical Fe-rich phases.Additionally,Ni addition is beneficial to reducing the grain size in the as-cast state.During the homogenization process,Q phases could be completely dissolved and the grain size could remain basically unchanged.However,compared with the Ni-free alloy,the Fe-rich phase in the Ni-containing alloy is more likely to undergo the phase transformation and further form more spherical particles during homogenization treatment.After thermomechanical processing,the distribution of Fe-rich phases in the Ni-containing alloy was further greatly improved and directly resulted in a greater formability than that of the Ni-free alloy.Accordingly,a reasonable Ni addition positively affected the microstructure and formability of the alloys.
文摘By use of self-consistent field Xα scattered-wave (SCF-Xα-SW) method, the electronic structure was calculated for four models of Ti4Al14X (X=Al, Fe, Ni and Cu) clusters. The Ti4Al14X cluster was developed based on L12 Al3Ti-base intermetallic compound. The results are presented using the density of states (DOS) and one-electron properties, such as relative binding tendency between the atom and the model cluster, and hybrid bonding tendency between the alloying element and the host atoms. By comparing the four models of Ti4Al14X cluster, the effect of the Fe, Ni or Cu atom on the physical properties of Al3Ti-based L12 intermetallic compounds is analyzed. The results indicate that the addition of the Fe, Ni or Cu atom intensifies the relative binding tendency between Ti atom and Ti4Al14X cluster. It was found that the Fermi level (EF) lies in a maximum in the DOS for Ti4Al14Al cluster; on the contrary, the EF comes near a minimum tn the DOS for Ti4Al14X (X=Fe, Ni and Cu) cluster. Thus the L12 crystal structure for binary Al3Ti alloy is unstable, and the addition of the Fe, Ni or Cu atom to Al3Ti is benefical to stabilize L12 crystal structure. The calculation also shows that the Fe, Ni or Cu atom strengthens the hybrid bonding tendency between the central atom and the host atoms for Ti4Al14X cluster and thereby may lead to the constriction of the lattice of Al3Ti-base intermetallic compounds.
文摘Microstructure formed in the Fe-Ni-Co-Al-Cu-Ti permanent magnetic alloy with different treatments was studied by means of TEM observation, XRD method and SAXS technology. The results indicated that spinodal decomposition and orderiing transformation coexisted in the alloy and spinodal decomposition was completed in a short time. The ratio of component of spinodal and ordered microstructure was dependent on the cooling rate. The variation of gyration radius RG of the rod-like precipitates could be accounted for by the different growth modes of the precipitates related to strain energy and interface energy.
基金supported by the National Natural Science Foundation of China(Grant No.51301102)the Science and Technology Commission of Shanghai Municipality,China(Grant No.15ZR1416000)
文摘In the present work, the effects of Ni atoms and vacancy concentrations （0.1%, 0.5%, 1.0%） on the formation process of Cu solute clusters are investigated for Fe-1.24%Cu-0.62%Ni alloys by molecular dynamics （MD） simulations. The presence of Ni is beneficial to the nucleation of Cu precipitates and has little effect on coarsening rate in the later stage of aging. This result is caused by reducing the diffusion coefficient of Cu clusters and the dynamic migration of Ni atoms. Additionally, there are little effects of Ni on Cu precipitates as the vacancy concentration reaches up to 1.0%, thereby explaining the embrittlement for reactor pressure vessel （RPV） steel. As a result, the findings can hopefully provide the important information about the essential mechanism of Cu cluster formation and a better understanding of ageing phenomenon of RPV steel. Furthermore, these original results are analyzed with a simple model of Cu diffusion, which suggests that the same behavior could be observed in Cu-containing alloys.
文摘Cavitation erosion behavior of as-welded Cu12Mn8Al3Fe2Ni alloy in 3.5% NaCl aqueous solution was studied bymagnetostrictive vibratory device for cavitation erosion. The results show that the cavitation erosion resistance ofthe as-welded Cu12Mn8Al3Fe2Ni alloy is much more superior to that of the as-cast one. The cumulative mass lossand the mass loss rate of the as-welded Cu12Mn8Al3Fe2Ni alloy are almost 1/4 that of the as-cast one. SEM analysisof eroded specimens reveals that the as-cast Cu12Mn8Al3Fe2Ni alloy is attacked more severely than the as-weldedone. Microcracks causing cavitation damage initiate at the phase boundaries.
基金supported by the National Natural Science Foundation of China (No. 50921003)
文摘The influence of aging treatment on transformation behavior and shape memory of the Ti 50_x Ni_(48) Fe_2 Nb_x(x=0,0.6,0.8,1.0,and 1.2) alloys was investigated using differential scanning calorimeter(DSC),mechanical drawing machine,and microhardness tester in this paper.It is indicated that the aging treatment has a significant effect on the phase transformation temperatures(M_s,M_f,M_p,A_s,A_f,and A_p) and microhardness of the samples.The phase transformation temperatures are found to decrease initially with the increasing aging temperature from 300 to 500 ℃ and increase with further increase of the aging temperature.The aging treatment at intermediate temperature between 400 and 500 ℃ results in an improved shape memory effect.In addition,the highest microhardness value is also obtained.
基金the National Natural Science Foundation of China (No. 50571094)the Chinese Academy of Sciences for Distinguished Talents Program.
文摘Ti44Zr32Ni22Cu2 and Ti41Zr29Ni28Cu2 alloys were prepared by the melt-spinning method. The phase structure was analyzed by X-ray diffraction,and the electrochemical performances of the melt-spun alloys were investigated. The results indicated that the Ti44Zr32Ni22Cu2 alloy was composed of the icosahedral quasicrystals and amorphous phases,and the Ti41Zr29Ni28Cu2 alloy comprised icosahedral quasicrystals,amorphous,and Laves phases. The maximum discharge capacity was 141 mAh/g for the Ti44Zr32Ni22Cu2 alloy and 181 mAh/g for the Ti41Zr29Ni28Cu2 alloy,respectively. The Ti41Zr29Ni28Cu2 alloy also showed a better high-rate dischargeability and cycling stability. The better electrochemical properties should be ascribed to the high content of Ni,which was beneficial to the electrochemical kinetic properties and made the alloy more resistant to oxidation,as well as to the Laves phase in the Ti41Zr29Ni28Cu2 alloy,which could work as the electro-catalyst and the micro-current collector.
文摘The composition, morphology, crystalline structure and formation and evolution of X phase in a Cu 12.3Al 2Ni 2Mn 1Ti alloy were studied. The results show that the X phase is a Ti rich phase with atomic ratio of (Cu+Ni)∶ Ti∶Al=2∶1∶1 and DO 3 or L2 1 structure; it is directly formed in the liquid phase by crystallization in the process of solidification of the alloy; there forms free particle X phase through the progressive dissolution and breakdown of the inter dendritic microstructure in the following homogenization process. The X phase has three different morphologies, i.e. X L, X LS and X S, whose contents in the matrix rely on the heat treatment conditions. [
文摘The microstructures, the phase transformation characteristics, and the mechanical properties of the Ti50Ni47Fe3 alloy in as-forged and as-cross-rolled states were investigated. It is found that, after cross-rolling, the phase transformation temperature （Ms） of the alloy decreases drastically and the grains get refined. Moreover, its yield strength and fracture strength after cross-rolling hit 540 MPa and 687 MPa respectively, up by about 200 MPa over those in as-forged state.
