Phase transitions,as one of the most intriguing phenomena in nature,are divided into first-order phase transitions(FOPTs)and continuous ones in current classification.While the latter shows striking phenomena of scali...Phase transitions,as one of the most intriguing phenomena in nature,are divided into first-order phase transitions(FOPTs)and continuous ones in current classification.While the latter shows striking phenomena of scaling and universality,the former has recently also been demonstrated to exhibit scaling and universal behavior within a mesoscopic,coarse-grained Landau-Ginzburg theory.Here we apply this theory to a microscopic model-the paradigmatic Ising model,which undergoes FOPTs between two ordered phases below its critical temperature-and unambiguously demonstrate universal scaling behavior in such FOPTs.These results open the door for extending the theory to other microscopic FOPT systems and experimentally testing them to systematically uncover their scaling and universal behavior.展开更多
It is well known that the magnetic properties such as the Curie temperature Tmag <sub>C and the mean magnetic moment β of ordered compounds have different values from those of the disordered solutions. For inst...It is well known that the magnetic properties such as the Curie temperature Tmag <sub>C and the mean magnetic moment β of ordered compounds have different values from those of the disordered solutions. For instance, both Tmag c and β of the Ni3Pt （L12） and NiPt （L10） and Tmag <sub>c of the CoPt （L10） and CoPt3 （L12） ordered compounds are strongly depressed due to the ordering compared with those of the metastable disordered Ni-Pt and Co-Pt alloys. On the other hand, the γ’-FeNi3 （L12） and the α’-FeCo （B2） ordered compounds have higher Tmag <sub>c and β values comparing with the disordered solution phases, γ （A1） and α （A2）, respectively. In consequence, the stability of the ordered phase is depressed or enhanced due to the interaction between the chemical and magnetic ordering caused by the decrease or increase of Tmag <sub>c and β values. The purpose of this study is to investigate the effect of the interaction between the chemical and the magnetic ordering on the phase equilibria in the Fe-X（X=Al, Co, Ni, Rh, Si） binary systems.The Gibbs energy of the α（A2）, γ（A1） and liquid phases is described by a sub-regular solution approximation. The ordering contribution to the Gibbs energy ,ΔGorder <sub>m, and deviations of magnetic properties, ΔTmag <sub>c and Δβ, of the ordered compounds, FeAl （B2）, Fe3Al （D03）, FeCo （B2）, FeRh （B2）, FeSi （B2）, Fe3Si （D03） and FeNi3 （L12） is introduced by the split compound energy formalism. Effect of the interaction between the chemical ordering, B2, D03 and L12 and the magnetic ordering on the phase equilibria will be discussed according to the calculated phase diagrams of the Fe-X binary systems.展开更多
The precipitation of ordered alpha_2 phase in a near - alphaTi-6.3Al-4.8Sn-2.0Zr-1.0Mo-0.34Si-0.9Nd (mass fraction) alloy with duplex microstructure, duringaging at various temperatures, was investigated. It is conclu...The precipitation of ordered alpha_2 phase in a near - alphaTi-6.3Al-4.8Sn-2.0Zr-1.0Mo-0.34Si-0.9Nd (mass fraction) alloy with duplex microstructure, duringaging at various temperatures, was investigated. It is concluded that the precipitation and growthof the alpha_2 phase can be controlled by suitable selection of the aging temperature. Aging athigher temperatures can result in the uniform precipitation and growth of alpha_2 ordered phase inalpha_p whereas the alpha_2 ordered phase precipitated only at the lamella boundaries anddislocations in beta_t. Aging at a moderate temperature can promote the tendency of uniformprecipitation of alpha_2 phase in both alpha_p and beta_t. Aging at a relatively low temperature issuitable for the uniform precipitation and growth of fine alpha_2 particles throughout both thealpha_p and beta_t matrix.展开更多
Alloys with composition of Mg_(96-x)Gd_3Zn_1Li_x(at.%)(x=0, 2, 4, and 6) were prepared by conventional casting. The microstructures of these alloys under as-cast and solid-solution conditions have been observed, and t...Alloys with composition of Mg_(96-x)Gd_3Zn_1Li_x(at.%)(x=0, 2, 4, and 6) were prepared by conventional casting. The microstructures of these alloys under as-cast and solid-solution conditions have been observed, and the mechanical properties were investigated. The results showed that Li is an effective element to refine the grains and break the eutectic networks in as-cast MgGd_3Zn_1 alloy. During solid solution treatment, these broken eutectic networks are spheroidized and highly dispersed. In addition, plentiful lamellar long period stacking ordered(LPSO) phases are precipitated in an α-Mg matrix when the Li addition is not more than 4%. Solid-solution treated Mg_(92)Gd_3Zn_1Li_4 alloy exhibits an optimal ultimate tensile strength(UTS) of 226 MPa and elongation of 5.8%. The strength of MgGd_3Zn_1 alloy is improved significantly, meanwhile, the toughness is apparently increased.展开更多
The nanolaminated MAB phases have attracted great research interests due to their unusual combination of metal-like and ceramic-like properties, which is similar to MAX phases. Recently, ordered quaternary MAX phases ...The nanolaminated MAB phases have attracted great research interests due to their unusual combination of metal-like and ceramic-like properties, which is similar to MAX phases. Recently, ordered quaternary MAX phases have been discovered, which enriches the family of MAX phases, and opens a new window to tailor the properties of MAX phases and to develop new MXenes. In the present work, we explored possible ordered quaternary MAB phases with Cr3AlB4 structure(space group: Pmmm) by first-principles calculations. The predictions show that M2M’AlB4 phases with M = Mn, Fe, Co and M’ = Cr, Mo, W exhibit strong tendency of ordering, where M locates at 2t site(0.5, 0.5, z2t) and M’ locates at 1 g site(0, 0.5,0.5). The main driving force of ordering may be the differences in bonding strengths between Al and M elements. Analyses on chemical bonds reveal that bonding strengths increase following the order:Al-Mn < Al-Fe < Al-Co, which is consistent with the prediction that ordering tendency increases when M changes from Mn to Co, as derived from enthalpy differences. The ordered M2M’AlB4 phases with M =Mn or Fe are predicted ferromagnetic and ordered M2M’AlB4 phases display lower shear resistance and possibly better ductility in comparison to Cr3AlB4.展开更多
Ordered domain interfaces formed between DO22 (Ni3V) phases along [100] direction during the precipitation process of Ni75AlxV25-x alloys were simulated by using the microscopic phase-field model. The atomic structure...Ordered domain interfaces formed between DO22 (Ni3V) phases along [100] direction during the precipitation process of Ni75AlxV25-x alloys were simulated by using the microscopic phase-field model. The atomic structure, migration process, and compositions of interfaces were investigated. It is found that there are four kinds of stable ordered domain interfaces formed between DO22 phases along [100] direction and all of them can migrate. During the migration of interfaces, the jump of atoms shows site selectivity behaviors and each stable interface forms a distinctive transition interface. The atom jump selects the optimist way to induce the migration of interface, and the atomic structures of interfaces retain the same before and after the migration. The alloy elements have different preferences of segregation or depletion at different interfaces. At all the four kinds of interfaces, Ni and Al segregate but V depletes. The degrees of segregation and depletion are also different at different interfaces.展开更多
Casting magnesium alloys hold the greatest share of magnesium application products due to their short processing period, low cost and near net shape forming. Compared with conventional commercial magnesium alloys or o...Casting magnesium alloys hold the greatest share of magnesium application products due to their short processing period, low cost and near net shape forming. Compared with conventional commercial magnesium alloys or other Mg–RE-based alloys, the novel Mg–RE–TM cast alloys with long period stacking ordered(LPSO) phases usually possess a higher strength and are promising candidates for aluminum alloy applications. Up to now, two ways: alloying design and casting process control(including subsequent heat treatments), have been predominantly employed to further improve the mechanical properties of these alloys. Alloying with other elements or ceramic particles could alter the solidifi cation pattern of alloys, change the morphology of LPSO phases and refi ne the microstructures. Diff erent casting techniques(conventional casting, rapidly solidifi cation, directional solidifi cation, etc.) introduce various microstructure characteristics, such as dendritic structure, nanocrystalline, metastable phase, anisotropy. Further heat treatments could activate the transformation of various LPSO structures and precipitation of diverse precipitates. All these evolutions exert great impacts on the mechanical properties of the LPSO-containing alloys. However, the underlying mechanisms still remain a subject of debate. Therefore, this review mainly provides the state of the art of the casting magnesium alloys research and the accompanying challenges and summarizes some topics that merit future investigation for developing high-performance Mg–RE–TM cast alloys.展开更多
The microstructure and damping capacities of MgZnxYi.33x(x=l-4at.%)alloys were discussed and researched.The main phase composition of the alloys consists of a_Mg and long-period stacking ordered(LPSO)phase.Due to incr...The microstructure and damping capacities of MgZnxYi.33x(x=l-4at.%)alloys were discussed and researched.The main phase composition of the alloys consists of a_Mg and long-period stacking ordered(LPSO)phase.Due to increasedLPSO phase,grain size was refined.LPSO phase was advantageous to the damping properties of the Mg-Zn-Y alloys.Mg-7%Zn-12.8%Y has the highest damping capacity up to0.04.Due to stacking fault probability,the LPSO phase in the Mg-Zn-Yalloys could be new damping source to dissipate energy so as to contribute to the improvement of damping capacities.展开更多
The site occupations of the alloying elements of O phase in Ti 2AlNb based intermetallics are clarified. The ordering behaviours of the O phase in Ti y Al z Nb( y ≥ 25%, mole fraction) orthorhombic alloys are also in...The site occupations of the alloying elements of O phase in Ti 2AlNb based intermetallics are clarified. The ordering behaviours of the O phase in Ti y Al z Nb( y ≥ 25%, mole fraction) orthorhombic alloys are also investigated with a Bragg Williams model. In the temperature range where the O phases exist, the order parameters change with the alloy composition and temperature continuously, and the first order transition character is very "展开更多
We have systematically investigated the microstructures of as-cast Mg_(97.49)Ho_(1.99)Cu_(0.43)Zr_(0.09)alloy by atomic resolution high-angle annular dark field scanning transmission electron microscopy(HAADF-STEM), r...We have systematically investigated the microstructures of as-cast Mg_(97.49)Ho_(1.99)Cu_(0.43)Zr_(0.09)alloy by atomic resolution high-angle annular dark field scanning transmission electron microscopy(HAADF-STEM), revealing the coexistence of 18R, 14H and 24R long period stacking/order(LPSO) phases with fully coherent interfaces along step-like composition gradient in a blocky intermetallic compound distributed at grain boundary. The short-range order(SRO) L1_(2)-type Cu_(6)Ho_(8)clusters embedded across AB’C’A-stacking fault layers are directly revealed at atomic scale. Importantly, the order degree of SRO clusters in the present dilute alloy is significant lower than previous 6M and 7M in-plane order reported in ternary Mg-TM(transition metal)-RE(rare earth) alloys, which can be well matched by 9M in-plane order. This directly demonstrates that SRO in-plane L1_(2)-type clusters can be expanded into more dilute composition regions bounded along the definite TM/RE ratio of 3/4. In addition, the estimated chemical compositions of solute enriched stacking fault(SESF) in all LPSO variants are almost identical with the ideal SESF composition of 9M in-plane order, regardless of the type of LPSO phases. The results further support the viewpoint that robust L1_(2)-type TM_(6)RE_(8)clusters play an important role in governing LPSO phase formation.展开更多
The precipitation characteristics of the α2 ordered phase in Ti-AI-Sn-Zr-Mo-Si-Nd alloys with various content of Al, under different aging conditions, were investigated. The distribution and size of the α2 ordered p...The precipitation characteristics of the α2 ordered phase in Ti-AI-Sn-Zr-Mo-Si-Nd alloys with various content of Al, under different aging conditions, were investigated. The distribution and size of the α2 ordered phase changed with temperature and Al content. The dislocations were the only places where the α2 ordered phase could precipitate at higher temperature near the critical transformation temperature for each alloy experimented. With the addition of Al content, the critical transformation temperature of α2 ordered phase increased. When the aging temperature was relatively low (650℃), the precedent precipitation of α2 ordered phase took place in primary a phase at the early stage of aging, in the duplex microstructure (the primary a with the transformed (3) of the alloys with lower Al content. But after certain aging time (50 h), the size of α2 particles was almost equal in both the primary a and the transformed β. And no obvious growth of α2 particles could be observed after 50 h.展开更多
Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed t...Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed that the simulated ED pattern of γ'-FexC(Ⅱ) model proposed by the present authors is in good agreement with experimentally observed ED pattern.It was also confirmed that the incommensurate superperiod stems from the coexistence of several γ'-Fe_xC(H) phases with different superperiods.The Fe(144)C(24)(Fe6C) model proposed by Uwakweh et al.generated ED patterns remarkably different from the experimental ones.展开更多
An ideal method has been established for calculating the precipitation of α2 ordered phase in near-α titanium alloys based on the theory on the critical electron concentration for the precipitation of α2 ordered ph...An ideal method has been established for calculating the precipitation of α2 ordered phase in near-α titanium alloys based on the theory on the critical electron concentration for the precipitation of α2 ordered phase in near-α titanium alloys. With complete precipitation of α2 phase in near-α titanium alloys, the alloys can be considered to be composed of two parts： （1） the α2 ordered phase with the stoichiometric atomic ratio of Ti3X; （2） the disorder solid solution with the critical composition in which the α2 ordered phase is just unable to precipitate. By using this method, the volume fractions of α2 ordered phase precipitated in Ti-Al, Ti-Sn, Ti-Al-Sn-Zr alloys with various AI, Sn and/or Zr contents have been calculated. The influences of AI and Sn on the precipitation of α2 ordered phase are discussed. The calculating results show substantial agreement with the experimental ones.展开更多
In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on...In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model's ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength.展开更多
Understanding the interface between strengthening precipitates and matrix in alloys, especially at the atomic level, is a critical issue for tailoring the precipitate strengthening to achieve desired mechanical proper...Understanding the interface between strengthening precipitates and matrix in alloys, especially at the atomic level, is a critical issue for tailoring the precipitate strengthening to achieve desired mechanical properties. Using high-resolution scanning transmission electron microscopy, we here clarify the semicoherent interfaces between the matrix and long-period stacking ordered(LPSO) phases, including 18 R and 14 H, in Mg–Zn–Y alloys. The LPSO/Mg interface features the unique configuration of the Shockley partial dislocations, which produces a near zero macroscopic strain because the net Burgers vectors equal zero. The 18 R/Mg interface characterizes a dissociated structure that can be described as a narrow slab of 54 R. There are two dislocation arrays accompanied to the 18 R/54 R and 54 R/Mg interface, resulting a slight deviation(about 2.3°). The 14 R/Mg interface exhibits the dislocation pairs associated with solute atoms. We further evaluate the stability and morphology of the corresponding interfaces based on elastic interaction, via calculating the mutual strong interactions between dislocation arrays, as well as that between the dislocations and solute atoms. The synchronized migration of interfacial dislocations and solute atoms, like move-drag behavior, dominates the lateral growth of LPSO phases in Mg alloys.展开更多
First-principles computation on the basis of density functional theory(DFT) is executed with the CASTEP code to explore the structural, elastic, and electronic properties along with Debye temperature and theoretical V...First-principles computation on the basis of density functional theory(DFT) is executed with the CASTEP code to explore the structural, elastic, and electronic properties along with Debye temperature and theoretical Vickers’ hardness of newly discovered ordered MAX phase carbide Mo2TiAlC2. The computed structural parameters are very reasonable compared with the experimental results. The mechanical stability is verified by using the computed elastic constants. The brittleness of the compound is indicated by both the Poisson’s and Pugh’s ratios. The new MAX phase is capable of resisting the pressure and tension and also has the clear directional bonding between atoms. The compound shows significant elastic anisotropy. The Debye temperature estimated from elastic moduli(B, G) is found to be 413.6 K. The electronic structure indicates that the bonding nature of Mo2TiAlC2is a mixture of covalent and metallic with few ionic characters. The electron charge density map shows a strong directional Mo–C–Mo covalent bonding associated with a relatively weak Ti–C bond.The calculated Fermi surface is due to the low-dispersive Mo 4d-like bands, which makes the compound a conductive one.The hardness of the compound is also evaluated and a high value of 9.01 GPa is an indication of its strong covalent bonding.展开更多
Some experimental α+α2 alloys were prepared by the addition of tin or aluminum elements into Ti-55 alloy. These alloys were designed with varied electron concentration values and named as Sn-rich alloys...Some experimental α+α2 alloys were prepared by the addition of tin or aluminum elements into Ti-55 alloy. These alloys were designed with varied electron concentration values and named as Sn-rich alloys and Al-rich alloys, respectively. The precipita- tion and growth of α2 ordered phase in the tested alloys under various heat treatment conditions were investigated. Some compari- sons among the experimental results were performed and discussed in detail. Stronger precipitation and growth of α2 ordered phase were caused in Al-rich alloys but relatively weak change in Sn-rich alloys with increasing the electron concentration. The precipita- tion of α2 ordered phase in Al-rich alloys is stronger than that in Sn-rich alloys when the electron concentration value is the same for the two alloys.展开更多
Herein,the evolution of long-period stacking ordered(LPSO)phases in the as-cast Mg-6Gd-1Zn-0.6Zr(wt.%)alloy are investigated via transmission electron microscopy(TEM)and atom probe tomography(APT).The TEM results reve...Herein,the evolution of long-period stacking ordered(LPSO)phases in the as-cast Mg-6Gd-1Zn-0.6Zr(wt.%)alloy are investigated via transmission electron microscopy(TEM)and atom probe tomography(APT).The TEM results reveal that two types of LPSO phase(a bulky interdendritic phase and a plate-like matrix LPSO phase)are formed in the as-cast sample.Most of the LPSO phases are confirmed to be of the 14H type,with a smaller proportion being of the 18R LPSO.Further,the APT results reveal that the composition of the interdendritic LPSO phase is closer to that of the ideal 14H phase compared to the matrix LPSO phase,and both the interdendritic and matrix LPSO phases exhibit a Gd/Zn ratio of 2.5,thereby indicating a deficient Zn content compared to the ideal 14H phase(i.e.,1.3).In addition,the influence of the LPSO phases on the deformation behavior is investigated at different compressive plastic strains using electron backscatter diffraction(EBSD)analysis to reveal twinning and slip behavior during deformation.The results indicate that the LPSO phase induces additional work hardening in the late stage of deformation via the suppression of{1011}compressive twinning and the activation of non-basal slip systems.展开更多
This paper presents new experimental evidence of the PeTa effect—infrared characteristic radiation under first order phase transitions, especially the crystallization of melts and the deposition and condensation of v...This paper presents new experimental evidence of the PeTa effect—infrared characteristic radiation under first order phase transitions, especially the crystallization of melts and the deposition and condensation of vapours/gases. The PeTa effect describes the transient radiation that a particle (i.e., atom, molecule or/and cluster) emits transient radiation during a transition from a meta-stable higher energetic level (in a super-cooled melt or a super-saturated vapour) to the stable condensed lower level (in a crystal or a liquid). The radiation removes latent heat with photons of characteristic frequencies that are generated under this transition. The abbreviation “PeTa effect” means Perel’man-Tatartchenko’s effect.展开更多
A review of computer simulations carried out at our Center for Materials Simulation applied to stud- ying the different atomistic processes of fracture and displacive (martensitic) transformations is pres- ented.Since...A review of computer simulations carried out at our Center for Materials Simulation applied to stud- ying the different atomistic processes of fracture and displacive (martensitic) transformations is pres- ented.Since these processes can happen extremely rapidly and involve only a small number of atoms initially,they are ideally suited for molecular dynamics type simulations which can currently only span times of the order of one nanosecond and involve at most a million atoms.A method is also presented for simulating much larger samples for much longer times through the use of the Monte-Carlo technique combined with a Ginzburg-Landau free energy functional,where the rele- vant material parameters are determined from molecular dynamics runs on the same alloy system.A summary of studies on fracture simulations in the ordered intermetallics NiAI and RuAl is given,as well as a discussion of the observation and analysis of the heterogeneous nucleation of the martensitic transformation in NiAI which shows localized soft mode phenomena.It is concluded that computer simulations,whether of the atomistic molecular dynamics type or of the larger scale Monte-Carlo variety,are rapidly becoming of greater and greater use in understanding the properties of solids under a wide rancle of temperature and stress conditions.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.12175316).
文摘Phase transitions,as one of the most intriguing phenomena in nature,are divided into first-order phase transitions(FOPTs)and continuous ones in current classification.While the latter shows striking phenomena of scaling and universality,the former has recently also been demonstrated to exhibit scaling and universal behavior within a mesoscopic,coarse-grained Landau-Ginzburg theory.Here we apply this theory to a microscopic model-the paradigmatic Ising model,which undergoes FOPTs between two ordered phases below its critical temperature-and unambiguously demonstrate universal scaling behavior in such FOPTs.These results open the door for extending the theory to other microscopic FOPT systems and experimentally testing them to systematically uncover their scaling and universal behavior.
文摘It is well known that the magnetic properties such as the Curie temperature Tmag <sub>C and the mean magnetic moment β of ordered compounds have different values from those of the disordered solutions. For instance, both Tmag c and β of the Ni3Pt （L12） and NiPt （L10） and Tmag <sub>c of the CoPt （L10） and CoPt3 （L12） ordered compounds are strongly depressed due to the ordering compared with those of the metastable disordered Ni-Pt and Co-Pt alloys. On the other hand, the γ’-FeNi3 （L12） and the α’-FeCo （B2） ordered compounds have higher Tmag <sub>c and β values comparing with the disordered solution phases, γ （A1） and α （A2）, respectively. In consequence, the stability of the ordered phase is depressed or enhanced due to the interaction between the chemical and magnetic ordering caused by the decrease or increase of Tmag <sub>c and β values. The purpose of this study is to investigate the effect of the interaction between the chemical and the magnetic ordering on the phase equilibria in the Fe-X（X=Al, Co, Ni, Rh, Si） binary systems.The Gibbs energy of the α（A2）, γ（A1） and liquid phases is described by a sub-regular solution approximation. The ordering contribution to the Gibbs energy ,ΔGorder <sub>m, and deviations of magnetic properties, ΔTmag <sub>c and Δβ, of the ordered compounds, FeAl （B2）, Fe3Al （D03）, FeCo （B2）, FeRh （B2）, FeSi （B2）, Fe3Si （D03） and FeNi3 （L12） is introduced by the split compound energy formalism. Effect of the interaction between the chemical ordering, B2, D03 and L12 and the magnetic ordering on the phase equilibria will be discussed according to the calculated phase diagrams of the Fe-X binary systems.
文摘The precipitation of ordered alpha_2 phase in a near - alphaTi-6.3Al-4.8Sn-2.0Zr-1.0Mo-0.34Si-0.9Nd (mass fraction) alloy with duplex microstructure, duringaging at various temperatures, was investigated. It is concluded that the precipitation and growthof the alpha_2 phase can be controlled by suitable selection of the aging temperature. Aging athigher temperatures can result in the uniform precipitation and growth of alpha_2 ordered phase inalpha_p whereas the alpha_2 ordered phase precipitated only at the lamella boundaries anddislocations in beta_t. Aging at a moderate temperature can promote the tendency of uniformprecipitation of alpha_2 phase in both alpha_p and beta_t. Aging at a relatively low temperature issuitable for the uniform precipitation and growth of fine alpha_2 particles throughout both thealpha_p and beta_t matrix.
基金supported by the National Natural Science Foundation of China(Nos.50571073,51574175 and 51474153)the Ph. D. Programs Foundation of Ministry of Education of China(20111402110004)the Natural Science Foundation of Shanxi Province(Nos.2009011028-3 and 2012011022-1)
文摘Alloys with composition of Mg_(96-x)Gd_3Zn_1Li_x(at.%)(x=0, 2, 4, and 6) were prepared by conventional casting. The microstructures of these alloys under as-cast and solid-solution conditions have been observed, and the mechanical properties were investigated. The results showed that Li is an effective element to refine the grains and break the eutectic networks in as-cast MgGd_3Zn_1 alloy. During solid solution treatment, these broken eutectic networks are spheroidized and highly dispersed. In addition, plentiful lamellar long period stacking ordered(LPSO) phases are precipitated in an α-Mg matrix when the Li addition is not more than 4%. Solid-solution treated Mg_(92)Gd_3Zn_1Li_4 alloy exhibits an optimal ultimate tensile strength(UTS) of 226 MPa and elongation of 5.8%. The strength of MgGd_3Zn_1 alloy is improved significantly, meanwhile, the toughness is apparently increased.
基金supported by National Natural Science Foundation of China under Grant No. U1435206 and No. 51672064
文摘The nanolaminated MAB phases have attracted great research interests due to their unusual combination of metal-like and ceramic-like properties, which is similar to MAX phases. Recently, ordered quaternary MAX phases have been discovered, which enriches the family of MAX phases, and opens a new window to tailor the properties of MAX phases and to develop new MXenes. In the present work, we explored possible ordered quaternary MAB phases with Cr3AlB4 structure(space group: Pmmm) by first-principles calculations. The predictions show that M2M’AlB4 phases with M = Mn, Fe, Co and M’ = Cr, Mo, W exhibit strong tendency of ordering, where M locates at 2t site(0.5, 0.5, z2t) and M’ locates at 1 g site(0, 0.5,0.5). The main driving force of ordering may be the differences in bonding strengths between Al and M elements. Analyses on chemical bonds reveal that bonding strengths increase following the order:Al-Mn < Al-Fe < Al-Co, which is consistent with the prediction that ordering tendency increases when M changes from Mn to Co, as derived from enthalpy differences. The ordered M2M’AlB4 phases with M =Mn or Fe are predicted ferromagnetic and ordered M2M’AlB4 phases display lower shear resistance and possibly better ductility in comparison to Cr3AlB4.
基金Projects(50671084, 50875217) supported by the National Natural Science Foundation of ChinaProjects(2003E106, SJ08-ZT05) supported by the Natural Science Foundation of Shaanxi Province, ChinaProject(20070420218) supported by China Postdoctoral Science Foundation
文摘Ordered domain interfaces formed between DO22 (Ni3V) phases along [100] direction during the precipitation process of Ni75AlxV25-x alloys were simulated by using the microscopic phase-field model. The atomic structure, migration process, and compositions of interfaces were investigated. It is found that there are four kinds of stable ordered domain interfaces formed between DO22 phases along [100] direction and all of them can migrate. During the migration of interfaces, the jump of atoms shows site selectivity behaviors and each stable interface forms a distinctive transition interface. The atom jump selects the optimist way to induce the migration of interface, and the atomic structures of interfaces retain the same before and after the migration. The alloy elements have different preferences of segregation or depletion at different interfaces. At all the four kinds of interfaces, Ni and Al segregate but V depletes. The degrees of segregation and depletion are also different at different interfaces.
基金supports of the Natural Science Foundation of Jiangsu Province of China (No. BK20160869)the Fundamental Research Funds for the Central Universities (No. 2018B16614)the National Natural Science Foundation of China (No. 51774109)
文摘Casting magnesium alloys hold the greatest share of magnesium application products due to their short processing period, low cost and near net shape forming. Compared with conventional commercial magnesium alloys or other Mg–RE-based alloys, the novel Mg–RE–TM cast alloys with long period stacking ordered(LPSO) phases usually possess a higher strength and are promising candidates for aluminum alloy applications. Up to now, two ways: alloying design and casting process control(including subsequent heat treatments), have been predominantly employed to further improve the mechanical properties of these alloys. Alloying with other elements or ceramic particles could alter the solidifi cation pattern of alloys, change the morphology of LPSO phases and refi ne the microstructures. Diff erent casting techniques(conventional casting, rapidly solidifi cation, directional solidifi cation, etc.) introduce various microstructure characteristics, such as dendritic structure, nanocrystalline, metastable phase, anisotropy. Further heat treatments could activate the transformation of various LPSO structures and precipitation of diverse precipitates. All these evolutions exert great impacts on the mechanical properties of the LPSO-containing alloys. However, the underlying mechanisms still remain a subject of debate. Therefore, this review mainly provides the state of the art of the casting magnesium alloys research and the accompanying challenges and summarizes some topics that merit future investigation for developing high-performance Mg–RE–TM cast alloys.
基金National Natural Science Foundation of China(Nos.U1610123,51674226,51574207,51574206,51274175)International Cooperation project of the Ministry of Science and Technology of China(No.2014DFA50320)+4 种基金The Science and Technology Major Project of Shanxi Province(No.MC2016-06)International Science and Technology Cooperation Project of Shanxi Province(No.2015081041)Research Project Supported by Shanxi Scholarship Council of China(No.2016-Key 2)Transformation of Scientific and Technological Achievements Special Guide Project of Shanxi Province(No.201604D131029)Shanxi Province Science Foundation for Youths(No.201601D021062)
文摘The microstructure and damping capacities of MgZnxYi.33x(x=l-4at.%)alloys were discussed and researched.The main phase composition of the alloys consists of a_Mg and long-period stacking ordered(LPSO)phase.Due to increasedLPSO phase,grain size was refined.LPSO phase was advantageous to the damping properties of the Mg-Zn-Y alloys.Mg-7%Zn-12.8%Y has the highest damping capacity up to0.04.Due to stacking fault probability,the LPSO phase in the Mg-Zn-Yalloys could be new damping source to dissipate energy so as to contribute to the improvement of damping capacities.
文摘The site occupations of the alloying elements of O phase in Ti 2AlNb based intermetallics are clarified. The ordering behaviours of the O phase in Ti y Al z Nb( y ≥ 25%, mole fraction) orthorhombic alloys are also investigated with a Bragg Williams model. In the temperature range where the O phases exist, the order parameters change with the alloy composition and temperature continuously, and the first order transition character is very "
基金supported by JSPS KAKENHI for Scientific Research on Innovative Areas “Materials Science of a Millefeuille Structure (Grant Nos. JP18H05475, JP18H05479)”“Nanotechnology Platform” of the MEXT, Japan+1 种基金supported by Grant-in-Aid for JSPS Fellows (JP19F19775)the Open Funds of the State Key Laboratory of Rare Earth Resource Utilization (RERU2020012)。
文摘We have systematically investigated the microstructures of as-cast Mg_(97.49)Ho_(1.99)Cu_(0.43)Zr_(0.09)alloy by atomic resolution high-angle annular dark field scanning transmission electron microscopy(HAADF-STEM), revealing the coexistence of 18R, 14H and 24R long period stacking/order(LPSO) phases with fully coherent interfaces along step-like composition gradient in a blocky intermetallic compound distributed at grain boundary. The short-range order(SRO) L1_(2)-type Cu_(6)Ho_(8)clusters embedded across AB’C’A-stacking fault layers are directly revealed at atomic scale. Importantly, the order degree of SRO clusters in the present dilute alloy is significant lower than previous 6M and 7M in-plane order reported in ternary Mg-TM(transition metal)-RE(rare earth) alloys, which can be well matched by 9M in-plane order. This directly demonstrates that SRO in-plane L1_(2)-type clusters can be expanded into more dilute composition regions bounded along the definite TM/RE ratio of 3/4. In addition, the estimated chemical compositions of solute enriched stacking fault(SESF) in all LPSO variants are almost identical with the ideal SESF composition of 9M in-plane order, regardless of the type of LPSO phases. The results further support the viewpoint that robust L1_(2)-type TM_(6)RE_(8)clusters play an important role in governing LPSO phase formation.
文摘The precipitation characteristics of the α2 ordered phase in Ti-AI-Sn-Zr-Mo-Si-Nd alloys with various content of Al, under different aging conditions, were investigated. The distribution and size of the α2 ordered phase changed with temperature and Al content. The dislocations were the only places where the α2 ordered phase could precipitate at higher temperature near the critical transformation temperature for each alloy experimented. With the addition of Al content, the critical transformation temperature of α2 ordered phase increased. When the aging temperature was relatively low (650℃), the precedent precipitation of α2 ordered phase took place in primary a phase at the early stage of aging, in the duplex microstructure (the primary a with the transformed (3) of the alloys with lower Al content. But after certain aging time (50 h), the size of α2 particles was almost equal in both the primary a and the transformed β. And no obvious growth of α2 particles could be observed after 50 h.
文摘Different structure models of a long-period ordered phase in Fe-C martenstie formed during aging have been checked by computer simulation of electron diffraction(ED) patterns based on these models.The results showed that the simulated ED pattern of γ'-FexC(Ⅱ) model proposed by the present authors is in good agreement with experimentally observed ED pattern.It was also confirmed that the incommensurate superperiod stems from the coexistence of several γ'-Fe_xC(H) phases with different superperiods.The Fe(144)C(24)(Fe6C) model proposed by Uwakweh et al.generated ED patterns remarkably different from the experimental ones.
文摘An ideal method has been established for calculating the precipitation of α2 ordered phase in near-α titanium alloys based on the theory on the critical electron concentration for the precipitation of α2 ordered phase in near-α titanium alloys. With complete precipitation of α2 phase in near-α titanium alloys, the alloys can be considered to be composed of two parts： （1） the α2 ordered phase with the stoichiometric atomic ratio of Ti3X; （2） the disorder solid solution with the critical composition in which the α2 ordered phase is just unable to precipitate. By using this method, the volume fractions of α2 ordered phase precipitated in Ti-Al, Ti-Sn, Ti-Al-Sn-Zr alloys with various AI, Sn and/or Zr contents have been calculated. The influences of AI and Sn on the precipitation of α2 ordered phase are discussed. The calculating results show substantial agreement with the experimental ones.
基金Supported by the National Natural Science Foundation of China under Grant Nos.11275118,11404198,91430109,61505100,51502189the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi Province(STIP)under Grant No.2014102+2 种基金the Launch of the Scientific Research of Shanxi University under Grant No.011151801004the National Fundamental Fund of Personnel Training under Grant No.J1103210The Natural Science Foundation of Shanxi Province under Grant No.2015011008
文摘In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model's ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength.
基金supported financially by the National Natural Science Foundation of China(Nos.51801214 and 51871222)the Liaoning Provincial Natural Science Foundation(No.2019-MS-335)。
文摘Understanding the interface between strengthening precipitates and matrix in alloys, especially at the atomic level, is a critical issue for tailoring the precipitate strengthening to achieve desired mechanical properties. Using high-resolution scanning transmission electron microscopy, we here clarify the semicoherent interfaces between the matrix and long-period stacking ordered(LPSO) phases, including 18 R and 14 H, in Mg–Zn–Y alloys. The LPSO/Mg interface features the unique configuration of the Shockley partial dislocations, which produces a near zero macroscopic strain because the net Burgers vectors equal zero. The 18 R/Mg interface characterizes a dissociated structure that can be described as a narrow slab of 54 R. There are two dislocation arrays accompanied to the 18 R/54 R and 54 R/Mg interface, resulting a slight deviation(about 2.3°). The 14 R/Mg interface exhibits the dislocation pairs associated with solute atoms. We further evaluate the stability and morphology of the corresponding interfaces based on elastic interaction, via calculating the mutual strong interactions between dislocation arrays, as well as that between the dislocations and solute atoms. The synchronized migration of interfacial dislocations and solute atoms, like move-drag behavior, dominates the lateral growth of LPSO phases in Mg alloys.
文摘First-principles computation on the basis of density functional theory(DFT) is executed with the CASTEP code to explore the structural, elastic, and electronic properties along with Debye temperature and theoretical Vickers’ hardness of newly discovered ordered MAX phase carbide Mo2TiAlC2. The computed structural parameters are very reasonable compared with the experimental results. The mechanical stability is verified by using the computed elastic constants. The brittleness of the compound is indicated by both the Poisson’s and Pugh’s ratios. The new MAX phase is capable of resisting the pressure and tension and also has the clear directional bonding between atoms. The compound shows significant elastic anisotropy. The Debye temperature estimated from elastic moduli(B, G) is found to be 413.6 K. The electronic structure indicates that the bonding nature of Mo2TiAlC2is a mixture of covalent and metallic with few ionic characters. The electron charge density map shows a strong directional Mo–C–Mo covalent bonding associated with a relatively weak Ti–C bond.The calculated Fermi surface is due to the low-dispersive Mo 4d-like bands, which makes the compound a conductive one.The hardness of the compound is also evaluated and a high value of 9.01 GPa is an indication of its strong covalent bonding.
基金This work was financially supported by the National Natural Science Foundation of China (No.50471085).
文摘Some experimental α+α2 alloys were prepared by the addition of tin or aluminum elements into Ti-55 alloy. These alloys were designed with varied electron concentration values and named as Sn-rich alloys and Al-rich alloys, respectively. The precipita- tion and growth of α2 ordered phase in the tested alloys under various heat treatment conditions were investigated. Some compari- sons among the experimental results were performed and discussed in detail. Stronger precipitation and growth of α2 ordered phase were caused in Al-rich alloys but relatively weak change in Sn-rich alloys with increasing the electron concentration. The precipita- tion of α2 ordered phase in Al-rich alloys is stronger than that in Sn-rich alloys when the electron concentration value is the same for the two alloys.
基金This work was supported by the National Research Foundation of Korea(Grant number:NRF-2019K1A3A1A18116059 and NRF-2023R1A2C200529811)Austrian Science Fund(FWF)(P 32378-N37)Federal Ministry of Austria Education,Science and Research(BMBWF)(KR 06/2020).
文摘Herein,the evolution of long-period stacking ordered(LPSO)phases in the as-cast Mg-6Gd-1Zn-0.6Zr(wt.%)alloy are investigated via transmission electron microscopy(TEM)and atom probe tomography(APT).The TEM results reveal that two types of LPSO phase(a bulky interdendritic phase and a plate-like matrix LPSO phase)are formed in the as-cast sample.Most of the LPSO phases are confirmed to be of the 14H type,with a smaller proportion being of the 18R LPSO.Further,the APT results reveal that the composition of the interdendritic LPSO phase is closer to that of the ideal 14H phase compared to the matrix LPSO phase,and both the interdendritic and matrix LPSO phases exhibit a Gd/Zn ratio of 2.5,thereby indicating a deficient Zn content compared to the ideal 14H phase(i.e.,1.3).In addition,the influence of the LPSO phases on the deformation behavior is investigated at different compressive plastic strains using electron backscatter diffraction(EBSD)analysis to reveal twinning and slip behavior during deformation.The results indicate that the LPSO phase induces additional work hardening in the late stage of deformation via the suppression of{1011}compressive twinning and the activation of non-basal slip systems.
文摘This paper presents new experimental evidence of the PeTa effect—infrared characteristic radiation under first order phase transitions, especially the crystallization of melts and the deposition and condensation of vapours/gases. The PeTa effect describes the transient radiation that a particle (i.e., atom, molecule or/and cluster) emits transient radiation during a transition from a meta-stable higher energetic level (in a super-cooled melt or a super-saturated vapour) to the stable condensed lower level (in a crystal or a liquid). The radiation removes latent heat with photons of characteristic frequencies that are generated under this transition. The abbreviation “PeTa effect” means Perel’man-Tatartchenko’s effect.
文摘A review of computer simulations carried out at our Center for Materials Simulation applied to stud- ying the different atomistic processes of fracture and displacive (martensitic) transformations is pres- ented.Since these processes can happen extremely rapidly and involve only a small number of atoms initially,they are ideally suited for molecular dynamics type simulations which can currently only span times of the order of one nanosecond and involve at most a million atoms.A method is also presented for simulating much larger samples for much longer times through the use of the Monte-Carlo technique combined with a Ginzburg-Landau free energy functional,where the rele- vant material parameters are determined from molecular dynamics runs on the same alloy system.A summary of studies on fracture simulations in the ordered intermetallics NiAI and RuAl is given,as well as a discussion of the observation and analysis of the heterogeneous nucleation of the martensitic transformation in NiAI which shows localized soft mode phenomena.It is concluded that computer simulations,whether of the atomistic molecular dynamics type or of the larger scale Monte-Carlo variety,are rapidly becoming of greater and greater use in understanding the properties of solids under a wide rancle of temperature and stress conditions.
