The precipitation process of aged Cu-Ni-Be alloy was investigated by X-ray diffraction （XRD）, trans- mission electron microscopy （TEM）, and high-resolution transmission electron microscopy （HRTEM）. The tensile s...The precipitation process of aged Cu-Ni-Be alloy was investigated by X-ray diffraction （XRD）, trans- mission electron microscopy （TEM）, and high-resolution transmission electron microscopy （HRTEM）. The tensile strength, yield strength, and electronic conductivity of this alloy after aging were also studied. The precipitation sequence of the C17510 alloy aged at 525 ℃ is supersat-urated solid solution→G.P zones→ γ″-γ′→ γ. This transformation can be achieved by the accumulation of Be-atom layers. The G.P zones are composed of disk-shaped monolayers of Be atoms, which are formed on （001） matrix planes. The intermediate γ″ precipitate is nucleated in the G.P zones. The γ″ and γ′ precipitates have the same orientation relationship with matrix, e.g., （110）p｜｜（100）M,[001]p｜｜[001]M. The tensile strength of specimen shows a maximum during the aging process and then continuously decreases if the specimen is over aged. The strengthening effect of γ′ phase precipitated in aging at 525 ℃ for 4 h is calculated to be 436 MPa according to the Orowan strengthening, which is quite consistent with the experimental data.展开更多
The plastic deformation and fracture processes of Ti-3Zr-2Sn-3Mo-25Nb alloy for surgical implants were directly observed by in situ scanning electron microscopy(SEM).The effect of phase transformations on deformation-...The plastic deformation and fracture processes of Ti-3Zr-2Sn-3Mo-25Nb alloy for surgical implants were directly observed by in situ scanning electron microscopy(SEM).The effect of phase transformations on deformation-induced martensitic transformation accompanying the cyclic tensile fracture processes was investigated.The results reveal that the metastable alpha martensites(α″) promotes deformation-induced martensitic transformation to ductile fracture,whereas the omega(ω) and alpha(α) phases drastically prevent slip dislocation and deformation-induced martensitic transformation to brittle fracture.展开更多
The self-consistent electronic structure calculations were carried out with the accurate frozen-core full-potential projector augmented-wave method on 13 Ni-Pt intermetallic compounds of simple crystalline structures,...The self-consistent electronic structure calculations were carried out with the accurate frozen-core full-potential projector augmented-wave method on 13 Ni-Pt intermetallic compounds of simple crystalline structures,i.e. A15,D019,D03 and L12 Ni3Pt and NiPt3,and α-NiAs,B1,B2,L2a,and L10 NiPt. The calculations reveal that the L12 Ni3Pt,L10 NiPt and L12 NiPt3 are energetically more stable than their respective competitive structures,indicating that the three structures may be formed in some appropriate conditions. The obtained results match well with the experimental observation or other theory predictions. It is found that there is hybridization between Ni 3d and Pt 5d states,which may significantly affect the structural stability and magnetism of metastable Ni-Pt intermetallic compounds.展开更多
The precipitation behavior and its influence on the electrical resistivity of the Al-0.96Mg2Si alloy during aging were investigated with in-situ resistivity measurement and transmission electron microscopy （TEM）. Th...The precipitation behavior and its influence on the electrical resistivity of the Al-0.96Mg2Si alloy during aging were investigated with in-situ resistivity measurement and transmission electron microscopy （TEM）. The precipitates of the peak aged alloy include both β＂ and if, but the amount ratio of β＂ to β＂ varies with the aging temperature and time increasing. The precipitates during aging at 175 ℃ are dominated by needle-like β＂ phases （including pre-β＂ phase）, the size of which increases with the time prolonging, but does not increase substantially after further aging. The evolution of electrical conductivity is directly related to such microstructural evolution. However, the hardness of the alloy stays at the peak value for a long term. When the alloy is aged at 195 ℃, the ratio of β＂ to β＇ becomes the main factor to influence relative resistivity （Ap） value. The higher the temperature is, the smaller the ratio is, and the faster the Ap value decreases. Moreover, the hardness peak drops with the decrease of the ratio. With the size and distribution parameters measured from TEM images, a semi-quantitative relationship between precipitates and the electrical resistivity was established.展开更多
Here we show the results of experimental observation of decomposition of the solution components into the neighboring cells. The liquid solution under crystallization first gets into the unstable state and then decomp...Here we show the results of experimental observation of decomposition of the solution components into the neighboring cells. The liquid solution under crystallization first gets into the unstable state and then decomposes. The decomposition result is fixed in the solid phase as inhomogeneous component distribution. Our experimental results enable to argue that the eutectic pattern forms due to interface instability and spinodal decomposition of non-equilibrium solution forming in front of the interface.展开更多
Mg_5Al_(2.4)Zr_(1.7)O_(12) metastable phase was successfully synthesized from analytical-grade Mg O,α-Al_2O_3,MgAl_2O_4,and ZrO_2 under an N_2 atmosphere.The sintering temperature was varied from 1650 to 1780°C,...Mg_5Al_(2.4)Zr_(1.7)O_(12) metastable phase was successfully synthesized from analytical-grade Mg O,α-Al_2O_3,MgAl_2O_4,and ZrO_2 under an N_2 atmosphere.The sintering temperature was varied from 1650 to 1780°C,and the highest amount of Mg_5Al_(2.4)Zr_(1.7)O_(12) appeared in the composite material when the sintering temperature was 1760°C.According to our research of the formation mechanism of Mg_5Al_(2.4)Zr_(1.7)O_(12),the formation and growth of MgAl_2O_4 dominated when the temperature was not higher than 1650°C.When the temperature was higher than 1650°C,MgO and ZrO_2 tended to diffuse into MgAl_2O_4 and the Mg_5Al_(2.4)Zr_(1.7)O_(12) solid solution was formed.When the temperature reached 1760°C,the formation of Mg_5Al_(2.4)Zr_(1.7)O_(12) was completed.The effect of Mg Al_2O_4 spinel crystals was also studied,and their introduction into the composite material promoted the formation and growth of Mg_5Al_(2.4)Zr_(1.7)O_(12).A highly dispersed MgO–Mg Al_2O_4–ZrO_2 composite material was prepared through the decomposition of the Mg_5Al_(2.4)Zr_(1.7)O_(12) metastable phase.The as-prepared composite material showed improved overall physical properties because of the good dispersion of MgO,MgAl_2O_4,and ZrO_2 phases.展开更多
Pattern recognition and neural network methods have been used to investigate the formability of metastable alloy phases, It has been found that some chemi cal bond parameters Such as valence electron number, electrone...Pattern recognition and neural network methods have been used to investigate the formability of metastable alloy phases, It has been found that some chemi cal bond parameters Such as valence electron number, electronegativity and metallic radii of cor-nponent elements are the dominating fac tors affecting metastable alloy phase formation. Some semi-empirical rules found in this way may be useful for the construction of expert system for materials design.展开更多
Variable-composition evolutionary structure searches are used to explore stable stoichiometries for the Zn-O system below 300 GPa. Our results confirm the previous structural phase transition sequence of pressurised Z...Variable-composition evolutionary structure searches are used to explore stable stoichiometries for the Zn-O system below 300 GPa. Our results confirm the previous structural phase transition sequence of pressurised ZnO. ZnO is thermodynamically stable up to 300GPa and zinc peroxide （Zn02, space group Pa3） is metastable under lower pressure. Insulating I4/mcm-Zn02 is thermodynamically stable between 128.3-300 GPa. Insulated metastable P3121-Zn02, controlling the pressure range of 51.5-128.3 GPa, has a wide band gap compared to the Pa3-Zn02 and I4/mem-Zn02. Phonon and elastic constant calculations conclude the dynamical and mechanical stability for the explored thermodynamically stable or metastable structures.展开更多
Metastable phase in tungsten film is of great interests in recent years due to its giant spin Hall effects,however,little information has been known on its nucleation,growth and phase transformation.In this paper,a 90...Metastable phase in tungsten film is of great interests in recent years due to its giant spin Hall effects,however,little information has been known on its nucleation,growth and phase transformation.In this paper,a 900 nm-thick tungsten film with double-layer structure(α-W underlayer andβ-W above it)was produced on SiO_(2)/Si substrate by high vacuum magnetron sputtering at room temperature.The structural properties ofβ-W were systemically investigated by X-ray diffraction,transmission electron microscopy,thermodynamic calculation,first-principle and phase-field simulations.It is found that theβ-W nucleation is energetically favoured on the SiO_(2)surface compared to theα-W one.As the film thickening proceeds,β-W[211]turns to be preferred direction of growth owing to the elastic strain energy minimization,which is verified by phase-field simulations.Moreover,theβ→αphase transformation takes place near the film-substrate interface while the rest of the film keeps theβ-W phase,leading to a doublelayer structure.This localized phase transition is induced by lower Gibbs free energy ofα-W phase at larger grain sizes,which can be confirmed by thermodynamic calculation.Further in-situ heating TEM analysis of the as-deposited film reveals that theβ→αphase transformation is fulfilled byα/βinterface propagation rather than local atomic rearrangements.Our findings offer valuable insights into the intrinsic properties of metastable phase in tungsten.展开更多
Introducing transformation-induced plasticity(TRIP)effect into bulk metallic glass composites(BMGCs)is an effective route to improve their ductility and strain-hardening ability.Since the morphology and structure of t...Introducing transformation-induced plasticity(TRIP)effect into bulk metallic glass composites(BMGCs)is an effective route to improve their ductility and strain-hardening ability.Since the morphology and structure of the crystalline austenite phases responsible for the TRIP phenomenon are strongly dependent on the alloy composition and cooling rate during freezing,distinguishing the optimal cases from a vast variety of candidates is the primary task of exploring TRIP BMGCs.However,without a suitable theoretical guidance,the exploration of BMGCs is usually performed via the traditional trial-and-error route,making the BMGC development extremely time consuming and labor intensive.Here,we present a novel high-throughput strategy to accelerate the exploration process of TRIP BMGCs.The efficiency of this strategy was demonstrated on a well-studied Cu-Zr-Al alloy system.A screening library,comprised by121 cylindrical samples with different conditions,was rapidly prepared by laser additive manufacturing(LAM).The phases of the library were efficiently identified by micro-area X-ray diffraction(M-XRD)to screen the optimal compositions and cooling rates that precipitate only B2-Cu Zr phase.The distribution uniformity of the B2-Cu Zr phase was further evaluated based on digital image processing technology to screen the candidates of better ductility.The high-throughput results are in good agreement with the previous casting investigations of discrete samples,confirming the validity of the present high-throughput strategy.展开更多
The sequence of ground states for SrTiO_(3) film subjected to epitaxial strain as well as to mechanical stress along the[001]and[110]axes is calculated from first principles within the density functional theory.Under ...The sequence of ground states for SrTiO_(3) film subjected to epitaxial strain as well as to mechanical stress along the[001]and[110]axes is calculated from first principles within the density functional theory.Under the fixed-strain boundary conditions,an increase in the lattice parameter of a substrate results in the I4cm→I4/mcm→Ima2→Cm→Fmm2→Ima2(II)sequence of ground states.Under the fixed-stress boundary conditions,the phase sequence is different and depends on how the stress is applied.It is revealed that the simultaneous presence of competing ferroelectric and antiferrodistortive instabilities in SrTiO_(3) gives rise to the appearance of metastable phases,whose number increases dramatically under the fixed-stress conditions.In the metastable phases,the octahedral rotation patterns are shown to differ substantially from those in the ground state.It is suggested that in systems with competing instabilities,each polar phase has its optimal octahedral rotation pattern which stabilizes this phase and creates a potential barrier preventing this phase to be transformed into other structures.展开更多
基金financially supported by the Project of Science and Technology of Beijing(No.10231103)
文摘The precipitation process of aged Cu-Ni-Be alloy was investigated by X-ray diffraction （XRD）, trans- mission electron microscopy （TEM）, and high-resolution transmission electron microscopy （HRTEM）. The tensile strength, yield strength, and electronic conductivity of this alloy after aging were also studied. The precipitation sequence of the C17510 alloy aged at 525 ℃ is supersat-urated solid solution→G.P zones→ γ″-γ′→ γ. This transformation can be achieved by the accumulation of Be-atom layers. The G.P zones are composed of disk-shaped monolayers of Be atoms, which are formed on （001） matrix planes. The intermediate γ″ precipitate is nucleated in the G.P zones. The γ″ and γ′ precipitates have the same orientation relationship with matrix, e.g., （110）p｜｜（100）M,[001]p｜｜[001]M. The tensile strength of specimen shows a maximum during the aging process and then continuously decreases if the specimen is over aged. The strengthening effect of γ′ phase precipitated in aging at 525 ℃ for 4 h is calculated to be 436 MPa according to the Orowan strengthening, which is quite consistent with the experimental data.
基金supported by the National High Technology Research and Development Program of China (No. 2011AA030101)the State Key Laboratory for Mechanical Behavior of Materials (No. 201011007)the Key Science and Technology Special Project of Shaanxi Province (No. 2009ZKC03-16)
文摘The plastic deformation and fracture processes of Ti-3Zr-2Sn-3Mo-25Nb alloy for surgical implants were directly observed by in situ scanning electron microscopy(SEM).The effect of phase transformations on deformation-induced martensitic transformation accompanying the cyclic tensile fracture processes was investigated.The results reveal that the metastable alpha martensites(α″) promotes deformation-induced martensitic transformation to ductile fracture,whereas the omega(ω) and alpha(α) phases drastically prevent slip dislocation and deformation-induced martensitic transformation to brittle fracture.
基金Supported by the National Natural Science Foundation of China (Grant Nos. 50531040, 50871058)the Ministry of Science and Technology of China (Grant No. 2006CB605201)the Administration of Tsinghua University
文摘The self-consistent electronic structure calculations were carried out with the accurate frozen-core full-potential projector augmented-wave method on 13 Ni-Pt intermetallic compounds of simple crystalline structures,i.e. A15,D019,D03 and L12 Ni3Pt and NiPt3,and α-NiAs,B1,B2,L2a,and L10 NiPt. The calculations reveal that the L12 Ni3Pt,L10 NiPt and L12 NiPt3 are energetically more stable than their respective competitive structures,indicating that the three structures may be formed in some appropriate conditions. The obtained results match well with the experimental observation or other theory predictions. It is found that there is hybridization between Ni 3d and Pt 5d states,which may significantly affect the structural stability and magnetism of metastable Ni-Pt intermetallic compounds.
基金Project(51105139)supported by the National Natural Science Foundation of ChinaProject(2010CB731706)supported by the National Basic Research Program of China
文摘The precipitation behavior and its influence on the electrical resistivity of the Al-0.96Mg2Si alloy during aging were investigated with in-situ resistivity measurement and transmission electron microscopy （TEM）. The precipitates of the peak aged alloy include both β＂ and if, but the amount ratio of β＂ to β＂ varies with the aging temperature and time increasing. The precipitates during aging at 175 ℃ are dominated by needle-like β＂ phases （including pre-β＂ phase）, the size of which increases with the time prolonging, but does not increase substantially after further aging. The evolution of electrical conductivity is directly related to such microstructural evolution. However, the hardness of the alloy stays at the peak value for a long term. When the alloy is aged at 195 ℃, the ratio of β＂ to β＇ becomes the main factor to influence relative resistivity （Ap） value. The higher the temperature is, the smaller the ratio is, and the faster the Ap value decreases. Moreover, the hardness peak drops with the decrease of the ratio. With the size and distribution parameters measured from TEM images, a semi-quantitative relationship between precipitates and the electrical resistivity was established.
文摘Here we show the results of experimental observation of decomposition of the solution components into the neighboring cells. The liquid solution under crystallization first gets into the unstable state and then decomposes. The decomposition result is fixed in the solid phase as inhomogeneous component distribution. Our experimental results enable to argue that the eutectic pattern forms due to interface instability and spinodal decomposition of non-equilibrium solution forming in front of the interface.
文摘Mg_5Al_(2.4)Zr_(1.7)O_(12) metastable phase was successfully synthesized from analytical-grade Mg O,α-Al_2O_3,MgAl_2O_4,and ZrO_2 under an N_2 atmosphere.The sintering temperature was varied from 1650 to 1780°C,and the highest amount of Mg_5Al_(2.4)Zr_(1.7)O_(12) appeared in the composite material when the sintering temperature was 1760°C.According to our research of the formation mechanism of Mg_5Al_(2.4)Zr_(1.7)O_(12),the formation and growth of MgAl_2O_4 dominated when the temperature was not higher than 1650°C.When the temperature was higher than 1650°C,MgO and ZrO_2 tended to diffuse into MgAl_2O_4 and the Mg_5Al_(2.4)Zr_(1.7)O_(12) solid solution was formed.When the temperature reached 1760°C,the formation of Mg_5Al_(2.4)Zr_(1.7)O_(12) was completed.The effect of Mg Al_2O_4 spinel crystals was also studied,and their introduction into the composite material promoted the formation and growth of Mg_5Al_(2.4)Zr_(1.7)O_(12).A highly dispersed MgO–Mg Al_2O_4–ZrO_2 composite material was prepared through the decomposition of the Mg_5Al_(2.4)Zr_(1.7)O_(12) metastable phase.The as-prepared composite material showed improved overall physical properties because of the good dispersion of MgO,MgAl_2O_4,and ZrO_2 phases.
文摘Pattern recognition and neural network methods have been used to investigate the formability of metastable alloy phases, It has been found that some chemi cal bond parameters Such as valence electron number, electronegativity and metallic radii of cor-nponent elements are the dominating fac tors affecting metastable alloy phase formation. Some semi-empirical rules found in this way may be useful for the construction of expert system for materials design.
基金Supported by the National Natural Science Foundation of China under Grant No 11347007the Qing Lan Project+1 种基金the Colleges and Universities in Jiangsu Province Natural Science Research Project under Grant No 14KJB460013the Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘Variable-composition evolutionary structure searches are used to explore stable stoichiometries for the Zn-O system below 300 GPa. Our results confirm the previous structural phase transition sequence of pressurised ZnO. ZnO is thermodynamically stable up to 300GPa and zinc peroxide （Zn02, space group Pa3） is metastable under lower pressure. Insulating I4/mcm-Zn02 is thermodynamically stable between 128.3-300 GPa. Insulated metastable P3121-Zn02, controlling the pressure range of 51.5-128.3 GPa, has a wide band gap compared to the Pa3-Zn02 and I4/mem-Zn02. Phonon and elastic constant calculations conclude the dynamical and mechanical stability for the explored thermodynamically stable or metastable structures.
基金financially supported by the National Natural Science Foundation of China(Nos.51904015 and 51534009)the General Program of Science and Technology Development Project of Beijing Municipal Education Commission(No.KM202010005008)+1 种基金the National Natural Science Fund for Innovative Research Groups(No.51621003)the Beijing Municipal Great Wall Scholar Training Plan Project(No.CIT&TCD20190307)。
文摘Metastable phase in tungsten film is of great interests in recent years due to its giant spin Hall effects,however,little information has been known on its nucleation,growth and phase transformation.In this paper,a 900 nm-thick tungsten film with double-layer structure(α-W underlayer andβ-W above it)was produced on SiO_(2)/Si substrate by high vacuum magnetron sputtering at room temperature.The structural properties ofβ-W were systemically investigated by X-ray diffraction,transmission electron microscopy,thermodynamic calculation,first-principle and phase-field simulations.It is found that theβ-W nucleation is energetically favoured on the SiO_(2)surface compared to theα-W one.As the film thickening proceeds,β-W[211]turns to be preferred direction of growth owing to the elastic strain energy minimization,which is verified by phase-field simulations.Moreover,theβ→αphase transformation takes place near the film-substrate interface while the rest of the film keeps theβ-W phase,leading to a doublelayer structure.This localized phase transition is induced by lower Gibbs free energy ofα-W phase at larger grain sizes,which can be confirmed by thermodynamic calculation.Further in-situ heating TEM analysis of the as-deposited film reveals that theβ→αphase transformation is fulfilled byα/βinterface propagation rather than local atomic rearrangements.Our findings offer valuable insights into the intrinsic properties of metastable phase in tungsten.
基金the National Natural Science Foundation of China under Grant Nos.51671042,51671043,51675074 and 51971047the project of Liaoning Province’s“rejuvenating Liaoning talents plan”under Grant No.XLYC1907046+4 种基金the Program for Innovative Talents of Liaoning Higher Education Institution under Grant No.LR2018014the Natural Science Foundation of Liaoning Province under Grant No.2019-MS-034the Joint Research Fund Liaoning-Shenyang National Laboratory for Materials Science under Grant No.2019JH3/30100032Dalian Science and Technology Innovation Fund Project under Grant No.2018J11CY027the Dalian Support Plan for Innovation of High-level Talents under Grant No.2018RQ07。
文摘Introducing transformation-induced plasticity(TRIP)effect into bulk metallic glass composites(BMGCs)is an effective route to improve their ductility and strain-hardening ability.Since the morphology and structure of the crystalline austenite phases responsible for the TRIP phenomenon are strongly dependent on the alloy composition and cooling rate during freezing,distinguishing the optimal cases from a vast variety of candidates is the primary task of exploring TRIP BMGCs.However,without a suitable theoretical guidance,the exploration of BMGCs is usually performed via the traditional trial-and-error route,making the BMGC development extremely time consuming and labor intensive.Here,we present a novel high-throughput strategy to accelerate the exploration process of TRIP BMGCs.The efficiency of this strategy was demonstrated on a well-studied Cu-Zr-Al alloy system.A screening library,comprised by121 cylindrical samples with different conditions,was rapidly prepared by laser additive manufacturing(LAM).The phases of the library were efficiently identified by micro-area X-ray diffraction(M-XRD)to screen the optimal compositions and cooling rates that precipitate only B2-Cu Zr phase.The distribution uniformity of the B2-Cu Zr phase was further evaluated based on digital image processing technology to screen the candidates of better ductility.The high-throughput results are in good agreement with the previous casting investigations of discrete samples,confirming the validity of the present high-throughput strategy.
基金supported by Russian Foundation for Basic Research grant No.13-02-00724.
文摘The sequence of ground states for SrTiO_(3) film subjected to epitaxial strain as well as to mechanical stress along the[001]and[110]axes is calculated from first principles within the density functional theory.Under the fixed-strain boundary conditions,an increase in the lattice parameter of a substrate results in the I4cm→I4/mcm→Ima2→Cm→Fmm2→Ima2(II)sequence of ground states.Under the fixed-stress boundary conditions,the phase sequence is different and depends on how the stress is applied.It is revealed that the simultaneous presence of competing ferroelectric and antiferrodistortive instabilities in SrTiO_(3) gives rise to the appearance of metastable phases,whose number increases dramatically under the fixed-stress conditions.In the metastable phases,the octahedral rotation patterns are shown to differ substantially from those in the ground state.It is suggested that in systems with competing instabilities,each polar phase has its optimal octahedral rotation pattern which stabilizes this phase and creates a potential barrier preventing this phase to be transformed into other structures.
