Research and development of green oxidizers and green fuels as a possible replacement for ammonium perchlorate(NH4ClO4,AP) and hydrazine(N2H4) respectively has been increased considerably in the recent years.AP and hy...Research and development of green oxidizers and green fuels as a possible replacement for ammonium perchlorate(NH4ClO4,AP) and hydrazine(N2H4) respectively has been increased considerably in the recent years.AP and hydrazine are the oxidizer and fuel entities,and used in solid and liquid rocket motors respectively.AP is highly toxic and led to adverse health effects,while hydrazine is carcinogenic in nature.AP is in use from the last several decades for rocket and space shuttle propulsion,while hydrazine is used in upper stage liquid propelled rocket motors.It’s a tough task to replace AP with the currently available green oxidizers;since their ballistic properties are weaker when compared to AP and also they can’t be successfully deployed in a solid rocket motor at present Some important available solid green oxidizers are ammonium nitrate(AN),ammonium dinitramide(ADN),hydroxyl ammonium nitrate(HAN),and hydrazinium nitroformate(HNF).However,AN is one of the cheap and readily available oxidizer,and has great potential to use in solid/liquid rocket motors.Tremendous progress has been envisaged till now,and more progress will be there in the coming future over the development of AN based green energetic materials(GEM’s).A concise overview has been presented over the development of phase stabilized ammonium nitrate(PSAN) and AN/KDN based green oxidizers in the present review paper.展开更多
Improving and optimizing the target properties of ceramics via the high entropy strategy has attracted significant attention.Rare earth niobate is a potential thermal barrier coating(TBCs)material,but its poor high-te...Improving and optimizing the target properties of ceramics via the high entropy strategy has attracted significant attention.Rare earth niobate is a potential thermal barrier coating(TBCs)material,but its poor high-temperature phase stability limits its further application.In this work,four sets of TBCs high-entropy ceramics,(Sm_(1/5)Dy_(1/5)Ho_(1/5)Er_(1/5)Yb_(1/5))(Nb_(1/2)Ta_(1/2))O_(4)(5NbTa),(Sm_(1/6)Dy_(1/6)Ho_(1/6)Er_(1/6)Yb_(1/6)Lu_(1/6))(Nb_(1/2)Ta_(1/2))O_(4)(6NbTa),(Sm_(1/7)Gd_(1/7)Dy_(1/7)Ho_(1/7)Er_(1/7)Yb_(1/7)Lu_(1/7))(Nb_(1/2)Ta_(1/2))O_(4)(7NbTa),(Sm_(1/8)Gd_(1/8)Dy_(1/8)Ho_(1/8)Er_(1/8)Tm_(1/8)Yb_(1/8)Lu_(1/8))(Nb_(1/2)Ta_(1/2))O_(4)(8NbTa)are synthesized using a solid-state reaction method at 1650℃for 6 h.Firstly,the X-ray diffractometer(XRD)patterns display that the samples are all single-phase solid solution structures(space group C 2/c).Differential scanning calorimetry(DSC)and the high-temperature XRD of 8NbTa cross-check that the addition of Ta element in 8HERN increases the phase transition temperature above 1400℃,which can be attributed to that the Ta/Nb co-doping at B site introduces the fluctuation of the bond strength of Ta-O and Nb-O.Secondly,compared to high-entropy rare-earth niobates,the introduction of Ta atoms at B site substantially reduce thermal conductivity(re-duced by 44%,800℃)with the seven components high entropy ceramic as an example.The low thermal conductivity means strong phonon scattering,which may originate from the softening acoustic mode and flattened phonon dispersion in 5–8 principal element high entropy rare earth niobium tantalates(5–8NbTa)revealed by the first-principles calculations.Thirdly,the Ta/Nb co-doping in 5–8NbTa systems can further optimize the insulation performance of oxygen ions.The oxygen-ion conductivity of 8NbTa(3.31×10^(−6)S cm^(−1),900℃)is about 5 times lower than that of 8HERN(15.8×10^(−6)S cm^(−1),900℃)because of the sluggish diffusion effect,providing better oxygen barrier capacity in 5–8NbTa systems to inhibit the overgrowth of the thermal growth oxide(TGO)of TBCs.In addition,influenced by lattice dis-tortion and solid solution strengthening,the samples possess higher hardness(7.51–8.15 GPa)and TECs(9.78×10^(−6)K−1^(-1)0.78×10^(−6)K^(−1),1500℃)than the single rare-earth niobates and tantalates.Based on their excellent overall properties,it is considered that 5–8NbTa can be used as auspicious TBCs.展开更多
The intermetallic compounds based on the tetragonal ThMn_(12) prototype crystal structure have exhibited great potential as advanced rare-earth-lean permanent magnets due to their excellent intrinsic magnetic properti...The intermetallic compounds based on the tetragonal ThMn_(12) prototype crystal structure have exhibited great potential as advanced rare-earth-lean permanent magnets due to their excellent intrinsic magnetic properties.However,the trade-off between the phase stability and the magnetic performance is often encountered in the ThMn_(12)-type magnets.This work was focused on the effects of V doping and nanos-tructuring on the phase stability and magnetic properties of ThMn_(12)-type Sm-Co-based magnets.Novel SmCo_(12)-based nanocrystalline alloys with the SmCo_(12) main phase were prepared for the first time.The prepared alloys from the optimal design achieved obviously higher coercivity than the isotropic SmFe_(12)-based alloys,together with comparable performance of other magnetic features.The enhancement in the coercivity was ascribed to the pinning of domain walls by the nanocrystalline grain boundaries and stacking faults.First-principles calculations and magnetic structure analysis disclosed that V substitution can stabilize the SmCo_(12) lattice and elevate its magnetocrystalline anisotropy.This study provides a new approach to developing stabilized metastable structured rare-earth-lean alloys with high magnetic per-formance.展开更多
The microstructural evolution,phase stability,and mechanical properties of Al-Li-Mg-Ti-M(M=Zn,Zr,V)lightweight high-entropy alloys(LW-HEAs)were investigated.The LW-HEAs with three components,Al_(20)Li_(20)Mg_(10)-Ti_(...The microstructural evolution,phase stability,and mechanical properties of Al-Li-Mg-Ti-M(M=Zn,Zr,V)lightweight high-entropy alloys(LW-HEAs)were investigated.The LW-HEAs with three components,Al_(20)Li_(20)Mg_(10)-Ti_(40)Zn_(10)(#Zn),Al_(20)Li_(20)Mg_(10)Ti_(30)Zr_(20)(#Zr),and Al_(20)Li_(20)Mg_(10)Ti_(30)V_(20)(#V),were designed according to the thermo-dynamic design criteria of HEA,and prepared via a combination process of mechanical alloying and cold-press sintering.The effects of alloy composition and sintering temperature on the microstructure and mechanical properties of the LW-HEAs were studied.The results show that the as-milled Al-Li-Mg-Ti-M(M=Zn,Zr,V)LW-HEAs form a simple structure with HCP-type solid solution as the primary phase,a dual-HCP type solid solution phase,and a BCC phase,respectively.After cold-press sintering,the#Zn and#V alloys undergo obvious phase transformation;while the#Zr alloy with dual-HCP phases exhibits the best phase stability during heat treatment.The#V-750°C alloy demonstrates the maximum hardness and specific strength of HV 595.2 and 625 MPa∙cm3/g,respectively,under the combined effect of solid solution strengthening of BCC phase and precipitation strengthening ofβ-AlTi_(3).Moreover,the#Zr-650°C,#Zr-750°C,and#Zn-650°C alloys are expected to have excellent plasticity.展开更多
Ti-Hf-Zr-Nb-Ta refractory high-entropy alloys(RHEAs)exhibiting a dual-phase structure resulting from martensitic transformation offer significant ductility enhancement,but their design requires precise control of the ...Ti-Hf-Zr-Nb-Ta refractory high-entropy alloys(RHEAs)exhibiting a dual-phase structure resulting from martensitic transformation offer significant ductility enhancement,but their design requires precise control of the phase stability between body-centred cubic(BCC)and hexagonal close-packed(HCP)phases.This study establishes a comprehensive thermodynamic database for the Ti-Hf-Zr-Nb-Ta system using the 3rd-generation Calculation of Phase Diagrams(CALPHAD)model.The reliability of the database is validated by the strong agreement between the calculated thermodynamic properties and phase equilibria and the experimental data for pure element,as well as for binary and ternary systems.Utilizing this database,the phase stability of various RHEAs within this system was predicted,showing that all RHEAs exhibit a BCC single phase over a wide temperature range.The HCP phase is stable and coexists with BCC phase in both quaternary and quinary RHEAs at lower temepratures.Calculations of the Gibbs energy difference between the BCC and HCP phases(ΔG^(HCP−BCC))in TiHfZrTa_(x) and TiHfZrNb_(x) alloys reveal that both Nb and Ta stabilize the BCC phase,with Nb exerting a stronger influence.Significantly,a metastable BCC+HCP region in the TiHfZrTa_(x) and TiHfZrNb_(x) alloys with ΔG^(HCP−BCC) ranging from 1786 to 2230 J/mol.Utilizing this finding,the critical Nb composition range(0.0367–0.0712)to achieve the metastable BCC+HCP phase is precisely predicted in TiHfZrTa_(0.2)Nb_(x) alloys,enabling targeted design for martensitic transformation.The predictions show excellent agreement with existing experimental measurements.展开更多
The new developedγ/γʹCo–Al–Nb-base alloys show great potentials as high-temperature materials.However,finding appropriate compositions to improve performance of alloys still poses a great challenge to the developm...The new developedγ/γʹCo–Al–Nb-base alloys show great potentials as high-temperature materials.However,finding appropriate compositions to improve performance of alloys still poses a great challenge to the development of Co–Al–Nb-base alloys.Motivated by the lack of alloying effects on fundamental properties of criticalγʹphase,we systematically performed a theoretical investigation on the effect of alloying elements TM(TM:Ti,V,Cr,Zr,Mo,Ta,W,Re,and Ru)on phase stabilities and mechanical properties of L1_(2)-typeγʹ(Co,Ni)_(3)(Al,Nb).By analyzing the stability ofγʹphase with respect to its competitive B2 and D0_(19) phases,the results shown that Ti,V,and Cr enhance the L1_(2) stability and widen the L1_(2)–D0_(19) energy barrier,in which V yields the maximum influence.The analysis of electronic structure indicated that the alternation of valence electrons at fermi level would be the atomic origin for doping TM inγʹphase.The calculated results of mechanical properties shown that V and Cr are expected to be optimal dopant for enhancing the strength and the ductility ofγʹphase.The addition of Ta is also beneficial for enhancing the strength at the slight expense of ductility ofγʹphase.By drawing the mechanical maps,the preferred composition range for the phases with desired properties is roughly demarcated in theory for the multi-addition of V/Cr and V/Ta inγʹphase.The findings would be useful for optimizing the performance of novelγ/γʹCo–Al–Nb-base superalloys.展开更多
Hafnia-based ferroelectric materials,like Hf_(0.5)Zr_(0.5)O_(2)(HZO),have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices.The orthorhombic(O)-phase of HZO is ferro...Hafnia-based ferroelectric materials,like Hf_(0.5)Zr_(0.5)O_(2)(HZO),have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices.The orthorhombic(O)-phase of HZO is ferroelectric but metastable in its bulk form under ambient conditions,which poses a considerable challenge to maintaining the operation performance of HZO-based ferroelectric devices.Here,we theoretically addressed this issue that provides parameter spaces for stabilizing the O-phase of HZO thin-films under various conditions.Three mechanisms were found to be capable of lowering the relative energy of the O-phase,namely,more significant surface-bulk portion of(111)surfaces,compressive c-axis strain,and positive electric fields.Considering these mechanisms,we plotted two ternary phase diagrams for HZO thin-films where the strain was applied along the in-plane uniaxial and biaxial,respectively.These diagrams indicate the O-phase could be stabilized by solely shrinking the film-thickness below 12.26 nm,ascribed to its lower surface energies.All these results shed considerable light on designing more robust and higher-performance ferroelectric devices.展开更多
The practical application of energetic materials, particularly 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20), is frequently impeded by phase transition challenges. In this study, we propose a novel...The practical application of energetic materials, particularly 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20), is frequently impeded by phase transition challenges. In this study, we propose a novel strategy to enhance the stability of CL-20 by employing a thermo-sensitive polymer,poly(N-isopropylacrylamide)(PNIPAM), to modulate its phase transitions. Our approach involves the use of an in-situ polymerized polydopamine(PDA) shell as a platform for surface grafting through atom transfer radical polymerization, yielding a core-shell structured CL-20@PDA-PNIPAM. Through comprehensive characterization, the successful grafting of PNIPAM is confirmed, significantly enhanced the phase stability of CL-20. Notably, our core-shell structure exhibits a 13℃ increase in phase transition temperature compared to raw CL-20, thereby delaying the ε→a phase transition by over 80 min under combined thermal and solvent conditions. The enhanced stability is attributed to the hydrophobic nature of PNIPAM above its low critical solution temperature in water, which effectively shields the CL-20 crystal. These findings provide new insights into enhancing the stability and safety of energetic materials in complex environments, highlighting the potential of our molecular switch mechanism.展开更多
ThMn_(12)-type iron-rich rare-earth permanent magnetic materials have garnered significant attention due to their exceptional intrinsic magnetic properties.However,challenges such as the metastable nature of the ThMn1...ThMn_(12)-type iron-rich rare-earth permanent magnetic materials have garnered significant attention due to their exceptional intrinsic magnetic properties.However,challenges such as the metastable nature of the ThMn12-type phase,excessively small single-domain grain size,and complex fabrication processes have hindered the achievement of high phase purity,uniform microstructure,and desirable extrinsic performance.In this study,we directly synthesized ThMn_(12)-type Sm_(0.8)Zr_(0.2)Fe_(11)SiB_(x)(x=0-0.2)ribbon magnets via boron doping combined with a one-step rapid solidification method.This approach not only simplifies the fabrication process but also enhances phase stability and achieves a uniform microstructure with high ThMn12-type phase purity.By optimizing the boron content and cooling rate,the resulting magnets exhibit a coercivity(H_(c))of 6222 Oe,a remanence(M_(r))of 80 emu/g,and a remanence ratio(M_(r)/M_(s))of 0.71.This work demonstrates a streamlined approach to producing high-performance ThMn12-type magnets and provides insights into their practical application potential.展开更多
First-principles calculations were carried out to investigate the structural stabilities and electronic properties of RhZr.The plane wave based pseudopotential method was used,in which both the local density approxima...First-principles calculations were carried out to investigate the structural stabilities and electronic properties of RhZr.The plane wave based pseudopotential method was used,in which both the local density approximation（LDA） and the generalized gradient approximation（GGA） implanted in the CASTEP code were employed.The internal positions of atoms in the unit cell were optimized and the ground state properties such as lattice parameter,density of state,cohesive energies and enthalpies of formation of ortho-RhZr and cubic-RhZr were calculated.The calculation results indicate that ortho-RhZr can form more easily than cubic-RhZr and the ortho-RhZr is more stable than cubic-RhZr.The density of states（DOS） reveals that the strong bonding in the Rh-Zr and Rh-Rh or Zr-Zr interaction chains accounts for the structural stability of ortho-RhZr and the hybridization between Rh-4d states and Zr-4d states is strong.展开更多
This study demonstrated the potential for customizing the desired properties of the Co_(18.5)Cr_(12)Fe_(55)Ni_(9)Mo_(3.5)C_(2)(at.%)ferrous medium-entropy alloy by manipulating the deformation-induced martensite trans...This study demonstrated the potential for customizing the desired properties of the Co_(18.5)Cr_(12)Fe_(55)Ni_(9)Mo_(3.5)C_(2)(at.%)ferrous medium-entropy alloy by manipulating the deformation-induced martensite transformation(DIMT)behavior at liquid nitrogen temperature.This was achieved by modifying various initial microstructures through annealing at temperatures ranging from 900 to 1200℃.The variations in DIMT kinetics were analyzed based on two main factors.(1)Inducing carbide precipitation by annealing at 900 and 1000°C results in changes in the composition within the matrix,which may affect the stability of the face-centered cubic phase.Samples with a higher volume fraction of the carbide precipitates exhibit lower-GFCC→BCC and faster DIMT kinetics.(2)The onset and kinetics of DIMT are also affected by the use of martensite nucleation sites,which may vary depending on the presence of non-recrystallized regions or the grain size.In fine-grained structures,martensite primarily nucleated in the non-recrystallized regions and grain boundaries.However,in coarse-grained microstructures,martensite mainly nucleated along the in-grain shear bands and their intersections.This precise control of the microstructure results in superior properties.The samples annealed at 900 and 1000°C with carbide precipitates and fine grains exhibit ultrahigh ultimate tensile strength,which may reach elevated values up to∼1.8 GPa,while those annealed at 1100 and 1200°C with larger grains and no precipitates exhibit a uniform elongation that exceeds 100%.展开更多
Sodium-ion batteries have emerged as promising alternatives to lithium-ion batteries due to their abundant raw material reserves,low cost,enhanced safety,and environmental sustainability.Na_(2)Fe_(2)OS_(2),featuring a...Sodium-ion batteries have emerged as promising alternatives to lithium-ion batteries due to their abundant raw material reserves,low cost,enhanced safety,and environmental sustainability.Na_(2)Fe_(2)OS_(2),featuring a layered anti-perovskite structure,has attracted significant interest for its high capacity and facile synthesis.In this study,density functional theory calculations were performed to systematically investigate the phase stability,ionic conductivity,and voltage characteristics of Na_(2)Fe_(2)OS_(2)as a model system for anti-perovskite layered cathode materials.The compound exhibits excellent phase stability,and its equilibrium potential was calculated for the series Na_(x)Fe_(2)OCh_(2)(0<±<2)(where Ch represents chalcogenides).Naion transport analysis using the climbing image nudged elastic band method reveals a relatively low migration barrier(~0.47eV)along a dingonal pathway,indicating efficient Na^(+)mobility.To expand the materials design space,we systematically explored the effects of substituting Fe with various transition metals and replacing S with Se in NaaTM_(2)OCh_(2)structures.Among the variants studied,Na_(2)Mn_(2)OS_(2) demonstrates the most favorable combination of high voltage(~2.51V),robust phase stability,and superior energy density(~427 W-h/kg).This comprehensive comparison of transition metal substitutions provides vnluable insights for the rational design and experimental development of next-generation anti-perovskite layered cathode materials for sodium-ion batteries.展开更多
Formamidinium lead iodide(FAPbI_(3))perovskite exhibits an impressive X-ray absorption coefficient and a large carrier mobility-lifetime product(μτ),making it as a highly promising candidate for X-ray detection appl...Formamidinium lead iodide(FAPbI_(3))perovskite exhibits an impressive X-ray absorption coefficient and a large carrier mobility-lifetime product(μτ),making it as a highly promising candidate for X-ray detection application.However,the presence of larger FA^(+)cation induces to an expansion of the Pb-I octahedral framework,which unfortunately affects both the stability and charge carrier mobility of the corresponding devices.To address this challenge,we develop a novel low-dimensional(HtrzT)PbI_(3) perovskite featuring a conjugated organic cation(1H-1,2,4-Triazole-3-thiol,HtrzT^(+))which matches well with theα-FAPbI_(3) lattices in two-dimensional plane.Benefiting from the matched lattice between(HtrzT)PbI_(3) andα-FAPbI_(3),the anchored lattice enhances the Pb-I bond strength and effectively mitigates the inherent tensile strain of theα-FAPbI_(3) crystal lattice.The X-ray detector based on(HtrzT)PbI_(3)(1.0)/FAPbI_(3) device achieves a remarkable sensitivity up to 1.83×10^(5)μC Gy_(air)^(−1) cm^(−2),along with a low detection limit of 27.6 nGy_(air) s^(−1),attributed to the release of residual stress,and the enhancement in carrier mobility-lifetime product.Furthermore,the detector exhibits outstanding stability under X-ray irradiation with tolerating doses equivalent to nearly 1.17×10^(6) chest imaging doses.展开更多
An investigation of electronic property and high pressure phase stability of SmN has been conducted using first principles calculations based on density functional theory. The elec- tronic properties of Stun show a st...An investigation of electronic property and high pressure phase stability of SmN has been conducted using first principles calculations based on density functional theory. The elec- tronic properties of Stun show a striking feature of a half metal, the majority-spin electrons are metallic and the minority-spin electrons are semiconducting. It was found that Stun undergoes a pressure-induced phase transition from NaCl-type （B1） to CsCl-type structure （B2） at 117 GPa. The elastic constants of Stun satisfy Born conditions at ambient pressure, indicating that B1 phase of SmN is mechanically stable at 0 GPa. The result of phonon spectra shows that B1 structure is dynamically stable at ambient pressure, which agrees with the conclusion derived from the elastic constants.展开更多
The microstructure evolution and phase composition of an α+β titanium alloy, Ti-3Al-5Mo-4.5V(wt.%),have been investigated. Electron probe micro analysis(EPMA) quantitative results manifest that the stability of β p...The microstructure evolution and phase composition of an α+β titanium alloy, Ti-3Al-5Mo-4.5V(wt.%),have been investigated. Electron probe micro analysis(EPMA) quantitative results manifest that the stability of β phase decreases with increasing quenching temperature, which is influenced by the significant variation of β-stabilizing elements concentration. Detailed microstructure analysis shows that the β→ωphase transformation does occur when quenching at 750℃ and 800 ℃. The ω-reflections change from incommensurate ω-spots(750 ℃) to ideal ω-spots(800 ℃) as the β stability of the alloy decreases. Further the decrease of β phase stability encourages the formation of athermal α " martensite, which has the following orientation relationships: [111]β//[110]α",[100]p//[100]α " and [-110]p//[00-1]α" with respect to the β matrix.展开更多
The phase stability,elastic properties and electronic structures of three typical Mg-Y intermetallics including Mg_(24)Y_(5),Mg_(2)Y and MgY are systematically investigated using first-principles calculations based on...The phase stability,elastic properties and electronic structures of three typical Mg-Y intermetallics including Mg_(24)Y_(5),Mg_(2)Y and MgY are systematically investigated using first-principles calculations based on density functional theory.The optimized structural parameters including lattice constants and atomic coordinates are in good agreement with experimental values.The calculated cohesive energies and formation enthalpies show that either phase stability or alloying ability of the three intermetallics is gradually enhanced with increasing Y content.The single-crystal elastic constants C_(ij) of Mg-Y intermetallics are also calculated,and the bulk modulus B,shear modulus G,Young's modulus E,Poisson ratio v and anisotropy factor A of polycrystalline materials are derived.It is suggested that the resistances to volume and shear deformation as well as the stiffness of the three intermetallics are raised with increasing Y content.Besides,these intermetallics all exhibit ductile characteristics,and they are isotropic in compression but anisotropic to a certain degree in shear and stiffness.Comparatively,Mg_(24)Y_(5) presents a relatively higher ductility,while MgY has a relatively stronger anisotropy in shear and stiffness.Further analysis of electronic structures indicates that the phase stability of Mg-Y intermetallics is closely related with their bonding electrons numbers below Fermi level.Namely,the more bonding electrons number below Fermi level corresponds to the higher structural stability of Mg-Y intermetallics.展开更多
Evolution of deformation mechanisms and mechanical properties of Ti-3Al-5Mo-4.5V alloy with different β phase stability have been systematically investigated. β phase stability alteration is achieved through quenchi...Evolution of deformation mechanisms and mechanical properties of Ti-3Al-5Mo-4.5V alloy with different β phase stability have been systematically investigated. β phase stability alteration is achieved through quenching temperature variation from dual α+β field(700℃) to single β field(880℃). Tensile tests at ambient temperature show that apparent yield strength of the alloy experiences an abrupt decrease followed by a significant increase from 700℃ to 880℃. Work hardening behavior is characterized by transition from the initial two-regime feature to the three-stage outlook. Concurrently, the maximum working hardening rate drops from 14000 MPa to 3000 MPa, which is concurrent with the shrinking volume fraction of primary a phase. Detailed discussion about the relationship between deformation mechanisms and β phase stability has been outlined.展开更多
Two experimental single crystal superalloys, the Ru-free alloy and the Ru-containing alloy with [001 ] orientation, were cast in a directionally solidified furnace, while other alloying element contents were kept unch...Two experimental single crystal superalloys, the Ru-free alloy and the Ru-containing alloy with [001 ] orientation, were cast in a directionally solidified furnace, while other alloying element contents were kept unchanged. The effects of Ru on the microstructure and phase stability of the single crystal superalloy were investigated, y＇ directional coarsening and rafting were observed in the Ru-free alloy and Ru-containing alloy after long-term aging at 1070~C for 800 h. Needle-shaped o topologically close packed （TCP） phases precipitated and grew along the fixed direction in both the alloys. The precipitating rate and volume fraction of TCP phases decreased significantly by adding Ru. The compositions ofy and y＇ phases measured using an energy-dispersive X-ray spectroscope （EDS） in transmission electron microscopy （TEM） analysis showed that the addition of Ru lessened the partition ratio of TCP forming elements, Re, W and Mo, and decreased the satu- ration degrees of these elements in y phase, which can enable the Ru-containing alloy to be more resistant to the formation of TCP phases. It is indicated that the addition of Ru to the Ni-based single crystal superalloy with high content of the refractory alloying element can enhance phase stability.展开更多
Formation, solution and phase change of hydration products in MgO-MgCl2-H2O system was studied with thermodynamics method, and resistance to water immersion and phase change of magnesium oxychloride cement with differ...Formation, solution and phase change of hydration products in MgO-MgCl2-H2O system was studied with thermodynamics method, and resistance to water immersion and phase change of magnesium oxychloride cement with different MgO/MgCl2 molar ratio was experimented. The results show that pH value of immersion solution of cement paste has a remarkable influence on phase stability of hydration products. A higher pH value leads to a lower solubility and a better phase stability of hydration products. When the solution pH value is higher than 10.37, the precipitation of much Mg（OH）2 crystal induces a worse phase stability of hydration products. With the increasing MgO/MgCl2 molar ratio （lower than 6）, the more amount of MgO in the hydration products enhances the alkalinity of solution and the phase stability is improved. However, when the MgO/MgCl2 molar ratio is higher than 6 and the excessive MgO exsits in the hydration products, the cement paste may be damaged by the excessive crystallization stress of a great deal of Mg（OH）2 formation.展开更多
In this study, high-entropy films with the compo- sition of NbTiA1SiNx were prepared by a reactive direct current （DC） magnetron sputtering technique, with different nitrogen flow rates （0, 4 and 8 ml.min^-1）. The...In this study, high-entropy films with the compo- sition of NbTiA1SiNx were prepared by a reactive direct current （DC） magnetron sputtering technique, with different nitrogen flow rates （0, 4 and 8 ml.min^-1）. The microstructures and properties were characterized by X-ray diffraction （XRD）, scanning electron microscopy （SEM）, high-resolution transmission electron microscopy （HRTEM）, nano-indenter and spectrophotometer. All of the as-deposited NbTiA1SiNx films are shown to have an amorphous structure, and the films exhibit high thermal stability up to 700℃. The maximum hardness and modulus values of the films reach 20.5 GPa （4 ml.min-1） and 206.8 GPa （0 ml.min^-l）, respectively. The films exhibit high absorption of the solar energy in the wavelength of 0.3-2.5 pm, which indicates that NbTiA1SiNx nitride film is a potential candidate solar selective absorbing coating for high-temperature photo-thermal conversion in the concentrated solar power project.展开更多
文摘Research and development of green oxidizers and green fuels as a possible replacement for ammonium perchlorate(NH4ClO4,AP) and hydrazine(N2H4) respectively has been increased considerably in the recent years.AP and hydrazine are the oxidizer and fuel entities,and used in solid and liquid rocket motors respectively.AP is highly toxic and led to adverse health effects,while hydrazine is carcinogenic in nature.AP is in use from the last several decades for rocket and space shuttle propulsion,while hydrazine is used in upper stage liquid propelled rocket motors.It’s a tough task to replace AP with the currently available green oxidizers;since their ballistic properties are weaker when compared to AP and also they can’t be successfully deployed in a solid rocket motor at present Some important available solid green oxidizers are ammonium nitrate(AN),ammonium dinitramide(ADN),hydroxyl ammonium nitrate(HAN),and hydrazinium nitroformate(HNF).However,AN is one of the cheap and readily available oxidizer,and has great potential to use in solid/liquid rocket motors.Tremendous progress has been envisaged till now,and more progress will be there in the coming future over the development of AN based green energetic materials(GEM’s).A concise overview has been presented over the development of phase stabilized ammonium nitrate(PSAN) and AN/KDN based green oxidizers in the present review paper.
基金support from Yunnan Major Scientific and Technological Projects(No.202302AG050010)Yunnan Fundamental Research Projects(Nos.202101AW070011 and202101BE070001–015)+1 种基金National Natural Science Foundation of China(No.52303295)Project Funds of“Xingdian Talent Support Program”.
文摘Improving and optimizing the target properties of ceramics via the high entropy strategy has attracted significant attention.Rare earth niobate is a potential thermal barrier coating(TBCs)material,but its poor high-temperature phase stability limits its further application.In this work,four sets of TBCs high-entropy ceramics,(Sm_(1/5)Dy_(1/5)Ho_(1/5)Er_(1/5)Yb_(1/5))(Nb_(1/2)Ta_(1/2))O_(4)(5NbTa),(Sm_(1/6)Dy_(1/6)Ho_(1/6)Er_(1/6)Yb_(1/6)Lu_(1/6))(Nb_(1/2)Ta_(1/2))O_(4)(6NbTa),(Sm_(1/7)Gd_(1/7)Dy_(1/7)Ho_(1/7)Er_(1/7)Yb_(1/7)Lu_(1/7))(Nb_(1/2)Ta_(1/2))O_(4)(7NbTa),(Sm_(1/8)Gd_(1/8)Dy_(1/8)Ho_(1/8)Er_(1/8)Tm_(1/8)Yb_(1/8)Lu_(1/8))(Nb_(1/2)Ta_(1/2))O_(4)(8NbTa)are synthesized using a solid-state reaction method at 1650℃for 6 h.Firstly,the X-ray diffractometer(XRD)patterns display that the samples are all single-phase solid solution structures(space group C 2/c).Differential scanning calorimetry(DSC)and the high-temperature XRD of 8NbTa cross-check that the addition of Ta element in 8HERN increases the phase transition temperature above 1400℃,which can be attributed to that the Ta/Nb co-doping at B site introduces the fluctuation of the bond strength of Ta-O and Nb-O.Secondly,compared to high-entropy rare-earth niobates,the introduction of Ta atoms at B site substantially reduce thermal conductivity(re-duced by 44%,800℃)with the seven components high entropy ceramic as an example.The low thermal conductivity means strong phonon scattering,which may originate from the softening acoustic mode and flattened phonon dispersion in 5–8 principal element high entropy rare earth niobium tantalates(5–8NbTa)revealed by the first-principles calculations.Thirdly,the Ta/Nb co-doping in 5–8NbTa systems can further optimize the insulation performance of oxygen ions.The oxygen-ion conductivity of 8NbTa(3.31×10^(−6)S cm^(−1),900℃)is about 5 times lower than that of 8HERN(15.8×10^(−6)S cm^(−1),900℃)because of the sluggish diffusion effect,providing better oxygen barrier capacity in 5–8NbTa systems to inhibit the overgrowth of the thermal growth oxide(TGO)of TBCs.In addition,influenced by lattice dis-tortion and solid solution strengthening,the samples possess higher hardness(7.51–8.15 GPa)and TECs(9.78×10^(−6)K−1^(-1)0.78×10^(−6)K^(−1),1500℃)than the single rare-earth niobates and tantalates.Based on their excellent overall properties,it is considered that 5–8NbTa can be used as auspicious TBCs.
基金supported by the National Key R&D Program of China(Nos.2021YFB3501502 and 2021YFB3501504).
文摘The intermetallic compounds based on the tetragonal ThMn_(12) prototype crystal structure have exhibited great potential as advanced rare-earth-lean permanent magnets due to their excellent intrinsic magnetic properties.However,the trade-off between the phase stability and the magnetic performance is often encountered in the ThMn_(12)-type magnets.This work was focused on the effects of V doping and nanos-tructuring on the phase stability and magnetic properties of ThMn_(12)-type Sm-Co-based magnets.Novel SmCo_(12)-based nanocrystalline alloys with the SmCo_(12) main phase were prepared for the first time.The prepared alloys from the optimal design achieved obviously higher coercivity than the isotropic SmFe_(12)-based alloys,together with comparable performance of other magnetic features.The enhancement in the coercivity was ascribed to the pinning of domain walls by the nanocrystalline grain boundaries and stacking faults.First-principles calculations and magnetic structure analysis disclosed that V substitution can stabilize the SmCo_(12) lattice and elevate its magnetocrystalline anisotropy.This study provides a new approach to developing stabilized metastable structured rare-earth-lean alloys with high magnetic per-formance.
基金financially supported by China Aeronautical Science Foundation (No.2023Z0530Q9002)the Program for Chongqing Talents,China (No.cstc2024ycjh-bgzxm0066)。
文摘The microstructural evolution,phase stability,and mechanical properties of Al-Li-Mg-Ti-M(M=Zn,Zr,V)lightweight high-entropy alloys(LW-HEAs)were investigated.The LW-HEAs with three components,Al_(20)Li_(20)Mg_(10)-Ti_(40)Zn_(10)(#Zn),Al_(20)Li_(20)Mg_(10)Ti_(30)Zr_(20)(#Zr),and Al_(20)Li_(20)Mg_(10)Ti_(30)V_(20)(#V),were designed according to the thermo-dynamic design criteria of HEA,and prepared via a combination process of mechanical alloying and cold-press sintering.The effects of alloy composition and sintering temperature on the microstructure and mechanical properties of the LW-HEAs were studied.The results show that the as-milled Al-Li-Mg-Ti-M(M=Zn,Zr,V)LW-HEAs form a simple structure with HCP-type solid solution as the primary phase,a dual-HCP type solid solution phase,and a BCC phase,respectively.After cold-press sintering,the#Zn and#V alloys undergo obvious phase transformation;while the#Zr alloy with dual-HCP phases exhibits the best phase stability during heat treatment.The#V-750°C alloy demonstrates the maximum hardness and specific strength of HV 595.2 and 625 MPa∙cm3/g,respectively,under the combined effect of solid solution strengthening of BCC phase and precipitation strengthening ofβ-AlTi_(3).Moreover,the#Zr-650°C,#Zr-750°C,and#Zn-650°C alloys are expected to have excellent plasticity.
基金financially supported by the Natural Science Foundation of Hebei Province,China(No.E202302154).
文摘Ti-Hf-Zr-Nb-Ta refractory high-entropy alloys(RHEAs)exhibiting a dual-phase structure resulting from martensitic transformation offer significant ductility enhancement,but their design requires precise control of the phase stability between body-centred cubic(BCC)and hexagonal close-packed(HCP)phases.This study establishes a comprehensive thermodynamic database for the Ti-Hf-Zr-Nb-Ta system using the 3rd-generation Calculation of Phase Diagrams(CALPHAD)model.The reliability of the database is validated by the strong agreement between the calculated thermodynamic properties and phase equilibria and the experimental data for pure element,as well as for binary and ternary systems.Utilizing this database,the phase stability of various RHEAs within this system was predicted,showing that all RHEAs exhibit a BCC single phase over a wide temperature range.The HCP phase is stable and coexists with BCC phase in both quaternary and quinary RHEAs at lower temepratures.Calculations of the Gibbs energy difference between the BCC and HCP phases(ΔG^(HCP−BCC))in TiHfZrTa_(x) and TiHfZrNb_(x) alloys reveal that both Nb and Ta stabilize the BCC phase,with Nb exerting a stronger influence.Significantly,a metastable BCC+HCP region in the TiHfZrTa_(x) and TiHfZrNb_(x) alloys with ΔG^(HCP−BCC) ranging from 1786 to 2230 J/mol.Utilizing this finding,the critical Nb composition range(0.0367–0.0712)to achieve the metastable BCC+HCP phase is precisely predicted in TiHfZrTa_(0.2)Nb_(x) alloys,enabling targeted design for martensitic transformation.The predictions show excellent agreement with existing experimental measurements.
基金supported by the National Natural Science Foundation of China(Nos.52371014 and U22B20132)the Shenzhen Science and Technology Program(No.JCYJ20230807091401004)+1 种基金the Fundamental Research Funds for the Central Universities(No.20720230036)the Guided Subject of Dean’s Fund(No.YZJJ-YDL-0004).
文摘The new developedγ/γʹCo–Al–Nb-base alloys show great potentials as high-temperature materials.However,finding appropriate compositions to improve performance of alloys still poses a great challenge to the development of Co–Al–Nb-base alloys.Motivated by the lack of alloying effects on fundamental properties of criticalγʹphase,we systematically performed a theoretical investigation on the effect of alloying elements TM(TM:Ti,V,Cr,Zr,Mo,Ta,W,Re,and Ru)on phase stabilities and mechanical properties of L1_(2)-typeγʹ(Co,Ni)_(3)(Al,Nb).By analyzing the stability ofγʹphase with respect to its competitive B2 and D0_(19) phases,the results shown that Ti,V,and Cr enhance the L1_(2) stability and widen the L1_(2)–D0_(19) energy barrier,in which V yields the maximum influence.The analysis of electronic structure indicated that the alternation of valence electrons at fermi level would be the atomic origin for doping TM inγʹphase.The calculated results of mechanical properties shown that V and Cr are expected to be optimal dopant for enhancing the strength and the ductility ofγʹphase.The addition of Ta is also beneficial for enhancing the strength at the slight expense of ductility ofγʹphase.By drawing the mechanical maps,the preferred composition range for the phases with desired properties is roughly demarcated in theory for the multi-addition of V/Cr and V/Ta inγʹphase.The findings would be useful for optimizing the performance of novelγ/γʹCo–Al–Nb-base superalloys.
基金the Fund from the Ministry of Science and Technology(MOST)of China(Grant No.2018YFE0202700)the National Natural Science Foundation of China(Grant Nos.11974422 and 12104504)+2 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB30000000)the Fundamental Research Funds for the Central Universitiesthe Research Funds of Renmin University of China(Grant No.22XNKJ30)。
文摘Hafnia-based ferroelectric materials,like Hf_(0.5)Zr_(0.5)O_(2)(HZO),have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices.The orthorhombic(O)-phase of HZO is ferroelectric but metastable in its bulk form under ambient conditions,which poses a considerable challenge to maintaining the operation performance of HZO-based ferroelectric devices.Here,we theoretically addressed this issue that provides parameter spaces for stabilizing the O-phase of HZO thin-films under various conditions.Three mechanisms were found to be capable of lowering the relative energy of the O-phase,namely,more significant surface-bulk portion of(111)surfaces,compressive c-axis strain,and positive electric fields.Considering these mechanisms,we plotted two ternary phase diagrams for HZO thin-films where the strain was applied along the in-plane uniaxial and biaxial,respectively.These diagrams indicate the O-phase could be stabilized by solely shrinking the film-thickness below 12.26 nm,ascribed to its lower surface energies.All these results shed considerable light on designing more robust and higher-performance ferroelectric devices.
基金supported by National Natural Science Foundation of China(Grant Nos.U2130207,21875232,12372342)Foundation of President of China Academy of Engineering Physics(Grant Nos.YZJJZQ2023008,YZJJZQ2022006)the Foundation of China Academy of Engineering Physics(Grant Nos.CX20210015,CX20210027)。
文摘The practical application of energetic materials, particularly 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20), is frequently impeded by phase transition challenges. In this study, we propose a novel strategy to enhance the stability of CL-20 by employing a thermo-sensitive polymer,poly(N-isopropylacrylamide)(PNIPAM), to modulate its phase transitions. Our approach involves the use of an in-situ polymerized polydopamine(PDA) shell as a platform for surface grafting through atom transfer radical polymerization, yielding a core-shell structured CL-20@PDA-PNIPAM. Through comprehensive characterization, the successful grafting of PNIPAM is confirmed, significantly enhanced the phase stability of CL-20. Notably, our core-shell structure exhibits a 13℃ increase in phase transition temperature compared to raw CL-20, thereby delaying the ε→a phase transition by over 80 min under combined thermal and solvent conditions. The enhanced stability is attributed to the hydrophobic nature of PNIPAM above its low critical solution temperature in water, which effectively shields the CL-20 crystal. These findings provide new insights into enhancing the stability and safety of energetic materials in complex environments, highlighting the potential of our molecular switch mechanism.
基金Project supported by the National Key R&D Program of China(Grant Nos.2021YFB3500300 and 2023YFB3507000)the Scientific Research Foundation of the High Education Institutions for Distinguished Young Scholars in Anhui Province(Grant No.2022AH020012)+1 种基金partially supported by the Innovation Project for Overseas Researcher in Anhui Province(Grant No.2022LCX004)the facilities at the Center of Free Electron Laser&High Magnetic Field(FEL&HMF)in Anhui University。
文摘ThMn_(12)-type iron-rich rare-earth permanent magnetic materials have garnered significant attention due to their exceptional intrinsic magnetic properties.However,challenges such as the metastable nature of the ThMn12-type phase,excessively small single-domain grain size,and complex fabrication processes have hindered the achievement of high phase purity,uniform microstructure,and desirable extrinsic performance.In this study,we directly synthesized ThMn_(12)-type Sm_(0.8)Zr_(0.2)Fe_(11)SiB_(x)(x=0-0.2)ribbon magnets via boron doping combined with a one-step rapid solidification method.This approach not only simplifies the fabrication process but also enhances phase stability and achieves a uniform microstructure with high ThMn12-type phase purity.By optimizing the boron content and cooling rate,the resulting magnets exhibit a coercivity(H_(c))of 6222 Oe,a remanence(M_(r))of 80 emu/g,and a remanence ratio(M_(r)/M_(s))of 0.71.This work demonstrates a streamlined approach to producing high-performance ThMn12-type magnets and provides insights into their practical application potential.
基金Project(u0837601)supported by the National Natural Science Foundation of China
文摘First-principles calculations were carried out to investigate the structural stabilities and electronic properties of RhZr.The plane wave based pseudopotential method was used,in which both the local density approximation（LDA） and the generalized gradient approximation（GGA） implanted in the CASTEP code were employed.The internal positions of atoms in the unit cell were optimized and the ground state properties such as lattice parameter,density of state,cohesive energies and enthalpies of formation of ortho-RhZr and cubic-RhZr were calculated.The calculation results indicate that ortho-RhZr can form more easily than cubic-RhZr and the ortho-RhZr is more stable than cubic-RhZr.The density of states（DOS） reveals that the strong bonding in the Rh-Zr and Rh-Rh or Zr-Zr interaction chains accounts for the structural stability of ortho-RhZr and the hybridization between Rh-4d states and Zr-4d states is strong.
基金supported by the Nano&Material Technology Development Program through the National Research Foundation of Korea(NRF)funded by the Ministry of Science and ICT(No.RS-2023-00281246).
文摘This study demonstrated the potential for customizing the desired properties of the Co_(18.5)Cr_(12)Fe_(55)Ni_(9)Mo_(3.5)C_(2)(at.%)ferrous medium-entropy alloy by manipulating the deformation-induced martensite transformation(DIMT)behavior at liquid nitrogen temperature.This was achieved by modifying various initial microstructures through annealing at temperatures ranging from 900 to 1200℃.The variations in DIMT kinetics were analyzed based on two main factors.(1)Inducing carbide precipitation by annealing at 900 and 1000°C results in changes in the composition within the matrix,which may affect the stability of the face-centered cubic phase.Samples with a higher volume fraction of the carbide precipitates exhibit lower-GFCC→BCC and faster DIMT kinetics.(2)The onset and kinetics of DIMT are also affected by the use of martensite nucleation sites,which may vary depending on the presence of non-recrystallized regions or the grain size.In fine-grained structures,martensite primarily nucleated in the non-recrystallized regions and grain boundaries.However,in coarse-grained microstructures,martensite mainly nucleated along the in-grain shear bands and their intersections.This precise control of the microstructure results in superior properties.The samples annealed at 900 and 1000°C with carbide precipitates and fine grains exhibit ultrahigh ultimate tensile strength,which may reach elevated values up to∼1.8 GPa,while those annealed at 1100 and 1200°C with larger grains and no precipitates exhibit a uniform elongation that exceeds 100%.
基金supported by the National Natural Science Foundation of China(Grant Nos.12404264 and 22209067)Shenzhen Basic Research Program(Natural Science Foundation)Key Project of Basic Research(Grant No.JCYJ20241202123916023)Shenzhen Science and Technology Program(Grant No.KQTD20200820113047086)。
文摘Sodium-ion batteries have emerged as promising alternatives to lithium-ion batteries due to their abundant raw material reserves,low cost,enhanced safety,and environmental sustainability.Na_(2)Fe_(2)OS_(2),featuring a layered anti-perovskite structure,has attracted significant interest for its high capacity and facile synthesis.In this study,density functional theory calculations were performed to systematically investigate the phase stability,ionic conductivity,and voltage characteristics of Na_(2)Fe_(2)OS_(2)as a model system for anti-perovskite layered cathode materials.The compound exhibits excellent phase stability,and its equilibrium potential was calculated for the series Na_(x)Fe_(2)OCh_(2)(0<±<2)(where Ch represents chalcogenides).Naion transport analysis using the climbing image nudged elastic band method reveals a relatively low migration barrier(~0.47eV)along a dingonal pathway,indicating efficient Na^(+)mobility.To expand the materials design space,we systematically explored the effects of substituting Fe with various transition metals and replacing S with Se in NaaTM_(2)OCh_(2)structures.Among the variants studied,Na_(2)Mn_(2)OS_(2) demonstrates the most favorable combination of high voltage(~2.51V),robust phase stability,and superior energy density(~427 W-h/kg).This comprehensive comparison of transition metal substitutions provides vnluable insights for the rational design and experimental development of next-generation anti-perovskite layered cathode materials for sodium-ion batteries.
基金supports from the National Natural Science Foundation of China(22375220,U2001214,22471302)the Guangdong Basic and Applied Basic Research Foundation(2024B1515020101)Open Project Fund from State Key Laboratory of Optoelectronic Materials and Technologies(OEMT-2024-KF-08).
文摘Formamidinium lead iodide(FAPbI_(3))perovskite exhibits an impressive X-ray absorption coefficient and a large carrier mobility-lifetime product(μτ),making it as a highly promising candidate for X-ray detection application.However,the presence of larger FA^(+)cation induces to an expansion of the Pb-I octahedral framework,which unfortunately affects both the stability and charge carrier mobility of the corresponding devices.To address this challenge,we develop a novel low-dimensional(HtrzT)PbI_(3) perovskite featuring a conjugated organic cation(1H-1,2,4-Triazole-3-thiol,HtrzT^(+))which matches well with theα-FAPbI_(3) lattices in two-dimensional plane.Benefiting from the matched lattice between(HtrzT)PbI_(3) andα-FAPbI_(3),the anchored lattice enhances the Pb-I bond strength and effectively mitigates the inherent tensile strain of theα-FAPbI_(3) crystal lattice.The X-ray detector based on(HtrzT)PbI_(3)(1.0)/FAPbI_(3) device achieves a remarkable sensitivity up to 1.83×10^(5)μC Gy_(air)^(−1) cm^(−2),along with a low detection limit of 27.6 nGy_(air) s^(−1),attributed to the release of residual stress,and the enhancement in carrier mobility-lifetime product.Furthermore,the detector exhibits outstanding stability under X-ray irradiation with tolerating doses equivalent to nearly 1.17×10^(6) chest imaging doses.
文摘An investigation of electronic property and high pressure phase stability of SmN has been conducted using first principles calculations based on density functional theory. The elec- tronic properties of Stun show a striking feature of a half metal, the majority-spin electrons are metallic and the minority-spin electrons are semiconducting. It was found that Stun undergoes a pressure-induced phase transition from NaCl-type （B1） to CsCl-type structure （B2） at 117 GPa. The elastic constants of Stun satisfy Born conditions at ambient pressure, indicating that B1 phase of SmN is mechanically stable at 0 GPa. The result of phonon spectra shows that B1 structure is dynamically stable at ambient pressure, which agrees with the conclusion derived from the elastic constants.
基金supported from the National Natural Science Foundation of China(No.51401221,51622401 and 51628402)support from the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB06050100)
文摘The microstructure evolution and phase composition of an α+β titanium alloy, Ti-3Al-5Mo-4.5V(wt.%),have been investigated. Electron probe micro analysis(EPMA) quantitative results manifest that the stability of β phase decreases with increasing quenching temperature, which is influenced by the significant variation of β-stabilizing elements concentration. Detailed microstructure analysis shows that the β→ωphase transformation does occur when quenching at 750℃ and 800 ℃. The ω-reflections change from incommensurate ω-spots(750 ℃) to ideal ω-spots(800 ℃) as the β stability of the alloy decreases. Further the decrease of β phase stability encourages the formation of athermal α " martensite, which has the following orientation relationships: [111]β//[110]α",[100]p//[100]α " and [-110]p//[00-1]α" with respect to the β matrix.
基金This work was financially supported by the National Natural Science Foundation of China(No.51401036)the Hunan Provincial Natural Science Foundation of China(No.14JJ3086),the Research Foundation of Education Bureau of Hunan Province(No.12B001)the Key Laboratory of Efficient and Clean Energy Utilization,College of Hunan Province(No.2015NGQ005).
文摘The phase stability,elastic properties and electronic structures of three typical Mg-Y intermetallics including Mg_(24)Y_(5),Mg_(2)Y and MgY are systematically investigated using first-principles calculations based on density functional theory.The optimized structural parameters including lattice constants and atomic coordinates are in good agreement with experimental values.The calculated cohesive energies and formation enthalpies show that either phase stability or alloying ability of the three intermetallics is gradually enhanced with increasing Y content.The single-crystal elastic constants C_(ij) of Mg-Y intermetallics are also calculated,and the bulk modulus B,shear modulus G,Young's modulus E,Poisson ratio v and anisotropy factor A of polycrystalline materials are derived.It is suggested that the resistances to volume and shear deformation as well as the stiffness of the three intermetallics are raised with increasing Y content.Besides,these intermetallics all exhibit ductile characteristics,and they are isotropic in compression but anisotropic to a certain degree in shear and stiffness.Comparatively,Mg_(24)Y_(5) presents a relatively higher ductility,while MgY has a relatively stronger anisotropy in shear and stiffness.Further analysis of electronic structures indicates that the phase stability of Mg-Y intermetallics is closely related with their bonding electrons numbers below Fermi level.Namely,the more bonding electrons number below Fermi level corresponds to the higher structural stability of Mg-Y intermetallics.
基金supported by the National Natural Science Foundation of China(No.51401221,51622401 and 51628402)the support from the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB06050100)
文摘Evolution of deformation mechanisms and mechanical properties of Ti-3Al-5Mo-4.5V alloy with different β phase stability have been systematically investigated. β phase stability alteration is achieved through quenching temperature variation from dual α+β field(700℃) to single β field(880℃). Tensile tests at ambient temperature show that apparent yield strength of the alloy experiences an abrupt decrease followed by a significant increase from 700℃ to 880℃. Work hardening behavior is characterized by transition from the initial two-regime feature to the three-stage outlook. Concurrently, the maximum working hardening rate drops from 14000 MPa to 3000 MPa, which is concurrent with the shrinking volume fraction of primary a phase. Detailed discussion about the relationship between deformation mechanisms and β phase stability has been outlined.
文摘Two experimental single crystal superalloys, the Ru-free alloy and the Ru-containing alloy with [001 ] orientation, were cast in a directionally solidified furnace, while other alloying element contents were kept unchanged. The effects of Ru on the microstructure and phase stability of the single crystal superalloy were investigated, y＇ directional coarsening and rafting were observed in the Ru-free alloy and Ru-containing alloy after long-term aging at 1070~C for 800 h. Needle-shaped o topologically close packed （TCP） phases precipitated and grew along the fixed direction in both the alloys. The precipitating rate and volume fraction of TCP phases decreased significantly by adding Ru. The compositions ofy and y＇ phases measured using an energy-dispersive X-ray spectroscope （EDS） in transmission electron microscopy （TEM） analysis showed that the addition of Ru lessened the partition ratio of TCP forming elements, Re, W and Mo, and decreased the satu- ration degrees of these elements in y phase, which can enable the Ru-containing alloy to be more resistant to the formation of TCP phases. It is indicated that the addition of Ru to the Ni-based single crystal superalloy with high content of the refractory alloying element can enhance phase stability.
基金Funded by the National Natural Science Foundation of China(No50078019)
文摘Formation, solution and phase change of hydration products in MgO-MgCl2-H2O system was studied with thermodynamics method, and resistance to water immersion and phase change of magnesium oxychloride cement with different MgO/MgCl2 molar ratio was experimented. The results show that pH value of immersion solution of cement paste has a remarkable influence on phase stability of hydration products. A higher pH value leads to a lower solubility and a better phase stability of hydration products. When the solution pH value is higher than 10.37, the precipitation of much Mg（OH）2 crystal induces a worse phase stability of hydration products. With the increasing MgO/MgCl2 molar ratio （lower than 6）, the more amount of MgO in the hydration products enhances the alkalinity of solution and the phase stability is improved. However, when the MgO/MgCl2 molar ratio is higher than 6 and the excessive MgO exsits in the hydration products, the cement paste may be damaged by the excessive crystallization stress of a great deal of Mg（OH）2 formation.
基金financially supported by the National Natural Science Foundation of China (No.51471025)
文摘In this study, high-entropy films with the compo- sition of NbTiA1SiNx were prepared by a reactive direct current （DC） magnetron sputtering technique, with different nitrogen flow rates （0, 4 and 8 ml.min^-1）. The microstructures and properties were characterized by X-ray diffraction （XRD）, scanning electron microscopy （SEM）, high-resolution transmission electron microscopy （HRTEM）, nano-indenter and spectrophotometer. All of the as-deposited NbTiA1SiNx films are shown to have an amorphous structure, and the films exhibit high thermal stability up to 700℃. The maximum hardness and modulus values of the films reach 20.5 GPa （4 ml.min-1） and 206.8 GPa （0 ml.min^-l）, respectively. The films exhibit high absorption of the solar energy in the wavelength of 0.3-2.5 pm, which indicates that NbTiA1SiNx nitride film is a potential candidate solar selective absorbing coating for high-temperature photo-thermal conversion in the concentrated solar power project.
