We study the influence of disorder on the Moore–Read state by principal component analysis(PCA),which is one of the ground state candidates for the 5/2 fractional Hall state.By using PCA,the topological features of t...We study the influence of disorder on the Moore–Read state by principal component analysis(PCA),which is one of the ground state candidates for the 5/2 fractional Hall state.By using PCA,the topological features of the ground state wave functions with different disorder strengths can be distilled.As the disorder strength increases,the Moore–Read state will be destroyed.We explore the phase transition by analyzing the overlaps between the random sample wave functions and the topologically distilled state.The cross-point between the amplitudes of the principal component and its counterpart is the phase transition point.Additionally,the origin of the second component comes from the excited states,which is different from the Laughlin state.展开更多
Pt nanoparticles entrapped in ordered mesoporous CMK-3 carbons with p6mm symmetry were prepared using a facile impregnation method, and the resulting materials were characterized using X-ray diffraction spectroscopy, ...Pt nanoparticles entrapped in ordered mesoporous CMK-3 carbons with p6mm symmetry were prepared using a facile impregnation method, and the resulting materials were characterized using X-ray diffraction spectroscopy, N2 adsorption-desorption, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy. The Pt nanoparticles were highly dispersed in the CMK-3 with 43.7% dispersion. The Pt/CMK-3 catalyst was an effective catalyst for the liquid-phase hydrogenation of nitrobenzene and its derivatives under the experimental conditions studied here. The Pt/CMK-3 catalyst was more active than commercial Pt/C catalyst in most cases. A highest turnover frequency of 43.8 s-1 was measured when the Pt/CMK-3 catalyst was applied for the hydrogenation of 2-methyl-nitrobenzene in ethanol under optimal conditions. It is worthy of note that the Pt/CMK-3 catalyst could be recycled easily, and could be reused at least fourteen times without any loss in activity or selectivity for the hydrogenation of nitrobenzene in ethanol.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
Two novel out-of-plane ordered quaternary borides M'_(4)VSiB_(2) (M'=Nb and Mo) have been synthesized. The out-of-plane ordered characteristic has been confirmed by the X-ray diffraction, the neutron powder di...Two novel out-of-plane ordered quaternary borides M'_(4)VSiB_(2) (M'=Nb and Mo) have been synthesized. The out-of-plane ordered characteristic has been confirmed by the X-ray diffraction, the neutron powder diffraction and the scanning transmission electron microscopy with high-angle angular dark field images. By adjusting the stoichiometric ratio of Mo and V, the 16l site preferentially occupied by relatively larger atom and 4c site by relatively smaller atom have been confirmed. The further first-principle calculation demonstrates the dynamical and thermodynamical stability of Mo_(4)VSiB_(2) o-T2 phase. This work confirms the transition metal occupation strategy of o-T2 phase and enriches the out-of-plane ordered laminated borides family.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
The microstructure of the precipitated phases of Mg95.sGd3Zn1Zro.2 alloys with long-period stacking ordered structure before and after heat treatment is discussed. The corrosion properties of the as-cast （F）, solid-...The microstructure of the precipitated phases of Mg95.sGd3Zn1Zro.2 alloys with long-period stacking ordered structure before and after heat treatment is discussed. The corrosion properties of the as-cast （F）, solid-solution （T4） and aging-treated （T6） alloys in 1% NaC1 solution are studied. The hydrogen evolution and electrochemical measurements display that the as-cast Mg95.sGd3Zn1Zro.2 alloy with the continuous network eutectic phase exhibits the greatest corrosion resistance, while T6 sample with some needle-like phases and the particle phases is the worst among the three alloys. It is proposed to be mainly related to the amount, composition, microstructure and distribution of the precipitated phases.展开更多
The long-period stacking ordered phases(LPSOs) in Mg-Ni-Y system have been attracting great interest as effective strengthening components because of their unique structural characteristics and deformation mechanism.H...The long-period stacking ordered phases(LPSOs) in Mg-Ni-Y system have been attracting great interest as effective strengthening components because of their unique structural characteristics and deformation mechanism.However,the phase relationships in LPSOs are complicated and unclear,which restricts the design of advanced magnesium-based alloys.The aim of the present work is to experimentally determine the phase equilibria relationships focusing on LPSOs and establish the thermodynamic description for Mg-Ni-Y system.Four types of LPSOs,that is,14H,12R,18R and 10H,are confirmed through equilibrated alloys and high-resolution transmission electron microscopy(HR-TEM).The formation enthalpies of LPSOs(14H,12R,18R and 10H) are calculated based on density functional theories(DFT) calculations.A new ternary compound,termed as τ phase,is observed for the first time which is likely to be the distorted structure of 12R as determined from the TEM image which shows a 12-layer closed packing plane distance of 3.252nm and a shear angle of 83.2°between(0002) and(10■0) planes.Based on the determined phase equilibria relationship,the Mg-Ni-Y system is assessed and a selfconsistent description is obtained where the LPSOs are modeled as the stoichiometric compounds.The comparison between the calculation result and experimental data suggests the accuracy of the present thermodynamic database in the Mg-rich corner.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 microstructure evolution of Mg100-2xYxZnx （x=2, 2.5, 3, 3.5） alloys was investigated. Results show that the Mg100-2xYxZnx alloys are composed of a-Mg, long period stacking ordered （LPSO） phase and eutectic str...The microstructure evolution of Mg100-2xYxZnx （x=2, 2.5, 3, 3.5） alloys was investigated. Results show that the Mg100-2xYxZnx alloys are composed of a-Mg, long period stacking ordered （LPSO） phase and eutectic structure phase （W phase）, and the Mg95Y2.5Zn2.5 alloy has the best comprehensive mechanical properties. Subsequently, the microstructure evolution of the optimized alloy Mg95Y2.5Zn2.5 during solidification and heat treatment processes was analyzed and discussed by means of OM, SEM, TEM, XRD and DTA. After heat treatment, the lamellar phase 14H-LPSO precipitated in a-Mg and W phase transforms into particle phase （MgyZn2）. Due to the compound reinforcement effect of the particle phase and LPSO phase （18R＋14H）, the mechanical properties of the alloy are enhanced. The tensile strength and elongation of the Mg95Y2.5Zn2.5 alloy is improved by 9.1% and 31.3% to 215 MPa and 10.5%, respectively, after solid-solution treatment.展开更多
The stable nanobubbles adhered to mineral surfaces may facilitate their efficient separation via flotation in the mining industry.However,the state of nanobubbles on mineral solid surfaces is still elusive.In this stu...The stable nanobubbles adhered to mineral surfaces may facilitate their efficient separation via flotation in the mining industry.However,the state of nanobubbles on mineral solid surfaces is still elusive.In this study,molecular dynamics(MD)simulations are employed to examine mineral-like model surfaces with varying degrees of hydrophobicity,modulated by surface charges,to elucidate the adsorption behavior of nanobubbles at the interface.Our findings not only contribute to the fundamental understanding of nanobubbles but also have potential applications in the mining industry.We observed that as the surface charge increases,the contact angle of the nanobubbles increases accordingly with shape transformation from a pancake-like gas film to a cap-like shape,and ultimately forming a stable nanobubble upon an ordered water monolayer.When the solid–water interactions are weak with a small partial charge,the hydrophobic gas(N_(2))molecules accumulate near the solid surfaces.However,we have found,for the first time,that gas molecules assemble a nanobubble on the water monolayer adjacent to the solid surfaces with large partial charges.Such phenomena are attributed to the formation of a hydrophobic water monolayer with a hydrogen bond network structure near the surface.展开更多
Phase equilibria involving the long-period stacking ordered phases including 14 H,18 R and 10 H in the Mg-rich corner of the Mg-Y-Zn system at 400 and 500℃ have been experimentally investigated by using X-ray diffrac...Phase equilibria involving the long-period stacking ordered phases including 14 H,18 R and 10 H in the Mg-rich corner of the Mg-Y-Zn system at 400 and 500℃ have been experimentally investigated by using X-ray diffraction(XRD),scanning electron microscopy(SEM),transmission electron microscopy(TEM)and high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM).The coexistence of 14 H and 18 R as well as 18 R and 10 H was confirmed from atomic scales.The phases 14 H,18 R and 10 H were all stable phases from 400 to 500℃.The experimentally proved three-phase equilibrium of14 H,18 R and α-Mg instead of 14 H,18 R and Mg_(24)Y_(5) were presented in the modified isothermal sections.The latter three-phase equilibrium was reported in the available literature.The modified isothe rmal sections are conducive to guide the composition design to obtain the alloys with favorable microstructure constituents and mechanical properties.展开更多
Effects of different volume fraction of long-period stacking ordered(LPSO)phase on the microstructure,mechanical property and anisotropy of the as-extruded Mg-xZn-yY-0.1Mn(x=1 wt%,2 wt%,4 wt%and y=2 wt%,4 wt%,8 wt%)al...Effects of different volume fraction of long-period stacking ordered(LPSO)phase on the microstructure,mechanical property and anisotropy of the as-extruded Mg-xZn-yY-0.1Mn(x=1 wt%,2 wt%,4 wt%and y=2 wt%,4 wt%,8 wt%)alloys were studied by an optical microscope,a scanning electron microscope,texture analysis,a transmission electron microscope and tensile testing.The results reveal that the volume fraction of LPSO phase increases from ZW12 to ZW24 to ZW48 alloys with the elevating Zn and Y content but constant Y/Zn value,and the mechanical strength of the LPSO-containing Mg-Zn-Y-Mn system is gradually improved when increasing LPSO phases.With the highest volume fraction of LPSO phase,ZW48 alloy presents the highest ultimate tensile strength(UTS)of 427 MPa along the extrusion direction(ED)when compared with those of ZW12 alloy with the UTS of 307 MPa and ZW24 alloy with the UTS of 347 MPa.Moreover,the elongation ratio of ZW48 alloy is maintained to moderate 9.9%,which is also the highest among three studied alloys.On the other hand,texture analysis demonstrates that the basal texture of the a-Mg phase in the ZW48 alloy is significantly weakened by the generation of more LPSO phases.On the contrary,a high texture intensity of a-Mg phase and obvious mechanical anisotropy can be observed for the ZW12 alloy.However,mechanical anisotropy still exists in the ZW48 alloy containing massive LPSO phases,which is attributed primarily to the zonal distribution of large LPSO along the ED.展开更多
It is a long-term challenge to further improve the corrosion resistance while ensuring the strength of magnesium(Mg)alloys.Revealing the effect of potential fluctuation on the micro-galvanic corrosion and the subseque...It is a long-term challenge to further improve the corrosion resistance while ensuring the strength of magnesium(Mg)alloys.Revealing the effect of potential fluctuation on the micro-galvanic corrosion and the subsequent film formation is important for understanding the corrosion mechanism of Mg alloys with multiple strengthening phases/structures.Here,we prepared the high-strength Mg-14.4Er-1.44Zn-0.3Zr(wt.%)alloys containing hybrid structures,i.e.,elongated long-period stacking ordered(LPSO)blocks+intragranular stacking faults(SFs)/LPSO lamellae.The Mg alloy with elongated LPSO blocks and intragranular LPSO lamellae(EZ-500 alloy)obtains good corrosion resistance(2.2 mm y^(–1)),while the Mg alloy containing elongated LPSO blocks and intragranular SFs(EZ-400 alloy)shows a significantly higher corrosion rate(6.9 mm y^(–1)).The results of scanning Kelvin probe force microscopy(SKPFM)show the elongated LPSO blocks act as cathode phase(87 mV in EZ-400 alloy),and the SFs serve as the weak anode(30 mV in EZ-400 alloy),resulting in high potential fluctuation in EZ-400 alloy.On the contrary,both elongated blocks and intragranular lamellae are cathodic LPSO phase(67–69 mV)in EZ-500 alloy,leading to a lower potential fluctuation.Quasi in-situ atomic force microscope(AFM)observation indicates that high potential fluctuation would cause strong micro-galvanic corrosion,and subsequently leads to the failure in rapid formation of corrosion film,finally forming a loose and porous film,while relatively low potential fluctuation could result in more uniform corrosion mode and facilitate the rapid formation of protective film.Therefore,we propose that it is an effective way to develop high-strength corrosionresistant Mg alloys by controlling the potential fluctuation to form a“uniform potential”strengthening microstructure。展开更多
Achieving high strength in Mg alloys is usually accompanied by ductility loss.Here,a novel Mg97Y1Zn1Ho1 at.%alloy with a yield strength of 403 MPa and an elongation of 10%is developed.The strength-ductility synergy is...Achieving high strength in Mg alloys is usually accompanied by ductility loss.Here,a novel Mg97Y1Zn1Ho1 at.%alloy with a yield strength of 403 MPa and an elongation of 10%is developed.The strength-ductility synergy is obtained by a comprehensive strategy,including a lamella bimodal microstructure design and the introduction of nano-spaced solute-segregated 14H long-period stacking-ordered phase(14H LPSO phase)through rare-earth Ho alloying.The lamella bimodal microstructure consists of elongated un-recrystallized(un-DRXed)coarse grains and fine dynamically-recrystallized grains(DRXed regions).The nano-spaced solute-segregated 14H LPSO phase is distributed in DRXed regions.The outstanding yield strength is mainly contributed by grain-boundary strengthening,18R LPSO strengthening,and fiberlike reinforcement strengthening from the nano-spaced 14H LPSO phase.The high elongation is due primarily to the combined effects of the bimodal and lamellar microstructures through enhancing the work-hardening capability.展开更多
The reaction thermodynamics for synthesizing the“312”and“413”o-MAX phases using the powder met-allurgy are investigated using a linear programing optimization algorithm based on the high-throughput first principle...The reaction thermodynamics for synthesizing the“312”and“413”o-MAX phases using the powder met-allurgy are investigated using a linear programing optimization algorithm based on the high-throughput first principles phonon calculations.The validity and reliability of the current methodology are verified by correctly predicting the impurities in four experimentally known o-MAX systems including Cr-Ti-Al-C,Cr-V-Al-C,Mo-Sc-Al-C and Mo-Ti-Al-C.The formability of each investigated o-MAX phase is evaluated by means of formation enthalpy and formation Gibbs free energy in a temperature range from 0 K to 1700 K.It is revealed that the thermodynamic stability of the“413”o-MAX structure is no better than that of the“312”phase.The formability of“413”o-MAX is also reduced at high sintering temperature,compared to that of“312”phase.The optimal synthetic routes are predicted for all thermodynamically stable“312”and“413”o-MAX phases.It is found that most o-MAX phases considered could be prepared as the single phase using the non-conventional synthetic routes from the aspect of reaction thermodynamics.Few of them including Cr_(2)TaAlC_(2),Nb_(2)HfAlC_(2),Nb_(2)TaAlC_(2),Nb_(2)Hf_(2)AlC_(3),Nb_(2)Ta_(2)AlC_(3),Mo_(2)V_(2)AlC_(3)and Mo_(2)Ta_(2)AlC_(3)are predicted to be either destabilized at high temperature or overwhelmed by the most competing side reaction.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
Phase change materials(PCMs)have great potential in thermal energy management,but their low ther-mal conductivity,easy leakage,and poor thermal stability limit their wide application.After constructing the biomimetic ...Phase change materials(PCMs)have great potential in thermal energy management,but their low ther-mal conductivity,easy leakage,and poor thermal stability limit their wide application.After constructing the biomimetic leaf-vein-like three-dimensional(3D)structure of boron nitride(BN)and impregnated with polyethylene glycol(PEG),the comprehensive properties of phase change composites were effec-tively enhanced under low filler content.The PEG is stored in the 3D structure of BN,which can prevent leakage at high temperatures and enhance the composites’thermal stability and storage modulus.As a fast channel of transmission of phonons,the BN skeleton can effectively reduce thermal resistance.When the amount of filler is 10 vol%,the highest thermal conductivity of the composite PCMs is 2.62 W m-1 K-1,which is 10.1 times than that of pure PEG.Under the infrared camera,the composite PCMs yielded excellent battery thermal management performance,indicating that the material has great potential in thermal management.展开更多
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
基金supported by the National Natural Science Foundation of China(Grant Nos.12104075 and 12347101).
文摘We study the influence of disorder on the Moore–Read state by principal component analysis(PCA),which is one of the ground state candidates for the 5/2 fractional Hall state.By using PCA,the topological features of the ground state wave functions with different disorder strengths can be distilled.As the disorder strength increases,the Moore–Read state will be destroyed.We explore the phase transition by analyzing the overlaps between the random sample wave functions and the topologically distilled state.The cross-point between the amplitudes of the principal component and its counterpart is the phase transition point.Additionally,the origin of the second component comes from the excited states,which is different from the Laughlin state.
基金supported by the National Natural Science Foundation of China(21273076 and 21373089)the Open Research Fund of Top Key Discipline of Chemistry in Zhejiang Provincial Colleges and Key Laboratory of the Ministry of Education for Catalysis Materials(Zhejiang Normal University,ZJHX2013)Shanghai Leading Academic Discipline Project (B409)~~
文摘Pt nanoparticles entrapped in ordered mesoporous CMK-3 carbons with p6mm symmetry were prepared using a facile impregnation method, and the resulting materials were characterized using X-ray diffraction spectroscopy, N2 adsorption-desorption, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy. The Pt nanoparticles were highly dispersed in the CMK-3 with 43.7% dispersion. The Pt/CMK-3 catalyst was an effective catalyst for the liquid-phase hydrogenation of nitrobenzene and its derivatives under the experimental conditions studied here. The Pt/CMK-3 catalyst was more active than commercial Pt/C catalyst in most cases. A highest turnover frequency of 43.8 s-1 was measured when the Pt/CMK-3 catalyst was applied for the hydrogenation of 2-methyl-nitrobenzene in ethanol under optimal conditions. It is worthy of note that the Pt/CMK-3 catalyst could be recycled easily, and could be reused at least fourteen times without any loss in activity or selectivity for the hydrogenation of nitrobenzene in ethanol.
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supported by the National Youth Talent Support Program(No.QNBJ-2022-03)the National Natu-ral Science Foundation of China(No.52371180)the Fundamental Research Funds for the Central Universities(Nos.N2209005 and N2309001).
文摘Two novel out-of-plane ordered quaternary borides M'_(4)VSiB_(2) (M'=Nb and Mo) have been synthesized. The out-of-plane ordered characteristic has been confirmed by the X-ray diffraction, the neutron powder diffraction and the scanning transmission electron microscopy with high-angle angular dark field images. By adjusting the stoichiometric ratio of Mo and V, the 16l site preferentially occupied by relatively larger atom and 4c site by relatively smaller atom have been confirmed. The further first-principle calculation demonstrates the dynamical and thermodynamical stability of Mo_(4)VSiB_(2) o-T2 phase. This work confirms the transition metal occupation strategy of o-T2 phase and enriches the out-of-plane ordered laminated borides family.
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supported by the National Natural Science Foundation of China(Nos.51574175 and 51474153)the Ph.D.Programs Foundation of Ministry of Education of China(No. 20111402110004)the Natural Science Foundation of Shanxi Province(Nos.2009011028-3 and 2012011022-1)
文摘The microstructure of the precipitated phases of Mg95.sGd3Zn1Zro.2 alloys with long-period stacking ordered structure before and after heat treatment is discussed. The corrosion properties of the as-cast （F）, solid-solution （T4） and aging-treated （T6） alloys in 1% NaC1 solution are studied. The hydrogen evolution and electrochemical measurements display that the as-cast Mg95.sGd3Zn1Zro.2 alloy with the continuous network eutectic phase exhibits the greatest corrosion resistance, while T6 sample with some needle-like phases and the particle phases is the worst among the three alloys. It is proposed to be mainly related to the amount, composition, microstructure and distribution of the precipitated phases.
基金financially supported by the National Natural Foundation China (51671118 and 51871143)the Science and Technology Committee of Shanghai Municipality(19010500400)the “Chenguang” Program from the Shanghai Municipal Education Commission (17CG42)。
文摘The long-period stacking ordered phases(LPSOs) in Mg-Ni-Y system have been attracting great interest as effective strengthening components because of their unique structural characteristics and deformation mechanism.However,the phase relationships in LPSOs are complicated and unclear,which restricts the design of advanced magnesium-based alloys.The aim of the present work is to experimentally determine the phase equilibria relationships focusing on LPSOs and establish the thermodynamic description for Mg-Ni-Y system.Four types of LPSOs,that is,14H,12R,18R and 10H,are confirmed through equilibrated alloys and high-resolution transmission electron microscopy(HR-TEM).The formation enthalpies of LPSOs(14H,12R,18R and 10H) are calculated based on density functional theories(DFT) calculations.A new ternary compound,termed as τ phase,is observed for the first time which is likely to be the distorted structure of 12R as determined from the TEM image which shows a 12-layer closed packing plane distance of 3.252nm and a shear angle of 83.2°between(0002) and(10■0) planes.Based on the determined phase equilibria relationship,the Mg-Ni-Y system is assessed and a selfconsistent description is obtained where the LPSOs are modeled as the stoichiometric compounds.The comparison between the calculation result and experimental data suggests the accuracy of the present thermodynamic database in the Mg-rich corner.
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.
基金financially supported by the National Natural Science Foundation of China(Nos.50571073,51574175 and 51474153)Ph.D.Programs Foundation of Ministry of Education of China(20111402110004)Natural Science Foundation of Shanxi Province(Nos.2009011028-3 and 2012011022-1)
文摘The microstructure evolution of Mg100-2xYxZnx （x=2, 2.5, 3, 3.5） alloys was investigated. Results show that the Mg100-2xYxZnx alloys are composed of a-Mg, long period stacking ordered （LPSO） phase and eutectic structure phase （W phase）, and the Mg95Y2.5Zn2.5 alloy has the best comprehensive mechanical properties. Subsequently, the microstructure evolution of the optimized alloy Mg95Y2.5Zn2.5 during solidification and heat treatment processes was analyzed and discussed by means of OM, SEM, TEM, XRD and DTA. After heat treatment, the lamellar phase 14H-LPSO precipitated in a-Mg and W phase transforms into particle phase （MgyZn2）. Due to the compound reinforcement effect of the particle phase and LPSO phase （18R＋14H）, the mechanical properties of the alloy are enhanced. The tensile strength and elongation of the Mg95Y2.5Zn2.5 alloy is improved by 9.1% and 31.3% to 215 MPa and 10.5%, respectively, after solid-solution treatment.
基金supported by the National Natural Science Foundation of China(Grant Nos.12022508,12074394,and 22125604)Shanghai Supercomputer Center of ChinaShanghai Snowlake Technology Co.Ltd.
文摘The stable nanobubbles adhered to mineral surfaces may facilitate their efficient separation via flotation in the mining industry.However,the state of nanobubbles on mineral solid surfaces is still elusive.In this study,molecular dynamics(MD)simulations are employed to examine mineral-like model surfaces with varying degrees of hydrophobicity,modulated by surface charges,to elucidate the adsorption behavior of nanobubbles at the interface.Our findings not only contribute to the fundamental understanding of nanobubbles but also have potential applications in the mining industry.We observed that as the surface charge increases,the contact angle of the nanobubbles increases accordingly with shape transformation from a pancake-like gas film to a cap-like shape,and ultimately forming a stable nanobubble upon an ordered water monolayer.When the solid–water interactions are weak with a small partial charge,the hydrophobic gas(N_(2))molecules accumulate near the solid surfaces.However,we have found,for the first time,that gas molecules assemble a nanobubble on the water monolayer adjacent to the solid surfaces with large partial charges.Such phenomena are attributed to the formation of a hydrophobic water monolayer with a hydrogen bond network structure near the surface.
基金National Key Research and Development Program of China (No.2016YFB0701201)the National Natural Science Foundation of China (No.51571019) for the financial supports。
文摘Phase equilibria involving the long-period stacking ordered phases including 14 H,18 R and 10 H in the Mg-rich corner of the Mg-Y-Zn system at 400 and 500℃ have been experimentally investigated by using X-ray diffraction(XRD),scanning electron microscopy(SEM),transmission electron microscopy(TEM)and high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM).The coexistence of 14 H and 18 R as well as 18 R and 10 H was confirmed from atomic scales.The phases 14 H,18 R and 10 H were all stable phases from 400 to 500℃.The experimentally proved three-phase equilibrium of14 H,18 R and α-Mg instead of 14 H,18 R and Mg_(24)Y_(5) were presented in the modified isothermal sections.The latter three-phase equilibrium was reported in the available literature.The modified isothe rmal sections are conducive to guide the composition design to obtain the alloys with favorable microstructure constituents and mechanical properties.
基金Project supported by Guangdong Basic and Applied Basic Research Foundation(2024A1515030065,2023A1515012299)Guangzhou Science and Technology Planning Project(2024A04J6299,202201011454)+2 种基金Young Talent Support Project of Guangzhou Association for Science and Technology(QT2024-012)the National Natural Science Foundation of China(52101283)National College Students Innovation and Entrepreneurship Training Program(xj2023118450625)。
文摘Effects of different volume fraction of long-period stacking ordered(LPSO)phase on the microstructure,mechanical property and anisotropy of the as-extruded Mg-xZn-yY-0.1Mn(x=1 wt%,2 wt%,4 wt%and y=2 wt%,4 wt%,8 wt%)alloys were studied by an optical microscope,a scanning electron microscope,texture analysis,a transmission electron microscope and tensile testing.The results reveal that the volume fraction of LPSO phase increases from ZW12 to ZW24 to ZW48 alloys with the elevating Zn and Y content but constant Y/Zn value,and the mechanical strength of the LPSO-containing Mg-Zn-Y-Mn system is gradually improved when increasing LPSO phases.With the highest volume fraction of LPSO phase,ZW48 alloy presents the highest ultimate tensile strength(UTS)of 427 MPa along the extrusion direction(ED)when compared with those of ZW12 alloy with the UTS of 307 MPa and ZW24 alloy with the UTS of 347 MPa.Moreover,the elongation ratio of ZW48 alloy is maintained to moderate 9.9%,which is also the highest among three studied alloys.On the other hand,texture analysis demonstrates that the basal texture of the a-Mg phase in the ZW48 alloy is significantly weakened by the generation of more LPSO phases.On the contrary,a high texture intensity of a-Mg phase and obvious mechanical anisotropy can be observed for the ZW12 alloy.However,mechanical anisotropy still exists in the ZW48 alloy containing massive LPSO phases,which is attributed primarily to the zonal distribution of large LPSO along the ED.
基金supported by the National Natural Science Foundation of China(Nos.51871069,52071093,and 52201137)the Opening Project of Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology(No.ASMA202205)+1 种基金the Student Research and Innovation Fund of the Fundamental Research Funds for the Central Universities(No.3072022GIP1004)the Beijing Municipal Natural Science Foundation(No.2202004).
文摘It is a long-term challenge to further improve the corrosion resistance while ensuring the strength of magnesium(Mg)alloys.Revealing the effect of potential fluctuation on the micro-galvanic corrosion and the subsequent film formation is important for understanding the corrosion mechanism of Mg alloys with multiple strengthening phases/structures.Here,we prepared the high-strength Mg-14.4Er-1.44Zn-0.3Zr(wt.%)alloys containing hybrid structures,i.e.,elongated long-period stacking ordered(LPSO)blocks+intragranular stacking faults(SFs)/LPSO lamellae.The Mg alloy with elongated LPSO blocks and intragranular LPSO lamellae(EZ-500 alloy)obtains good corrosion resistance(2.2 mm y^(–1)),while the Mg alloy containing elongated LPSO blocks and intragranular SFs(EZ-400 alloy)shows a significantly higher corrosion rate(6.9 mm y^(–1)).The results of scanning Kelvin probe force microscopy(SKPFM)show the elongated LPSO blocks act as cathode phase(87 mV in EZ-400 alloy),and the SFs serve as the weak anode(30 mV in EZ-400 alloy),resulting in high potential fluctuation in EZ-400 alloy.On the contrary,both elongated blocks and intragranular lamellae are cathodic LPSO phase(67–69 mV)in EZ-500 alloy,leading to a lower potential fluctuation.Quasi in-situ atomic force microscope(AFM)observation indicates that high potential fluctuation would cause strong micro-galvanic corrosion,and subsequently leads to the failure in rapid formation of corrosion film,finally forming a loose and porous film,while relatively low potential fluctuation could result in more uniform corrosion mode and facilitate the rapid formation of protective film.Therefore,we propose that it is an effective way to develop high-strength corrosionresistant Mg alloys by controlling the potential fluctuation to form a“uniform potential”strengthening microstructure。
基金supported by the National Key Research and Development Project (2018YFE0115800, 2020YFE0202600)Youth Talent Project of China National Nuclear Corporation (CNNC2019YTEP-HEU01, CNNC2021YTEP-HEU01)+4 种基金the NSFC Funding (51701051, 52001083, 52171111, U2141207)China Postdoctoral Science Foundation Funded Project (2019T120255)Natural Science Foundation of Heilongjiang (LH2019E030)Heilongjiang Touyan Innovation Team Programthe supports from the U.S. National Science Foundation [DMR-1611180 and 1809640] with the program directors, Drs. Judith Yang, Gary Shiflet, and Diana Farkas.
文摘Achieving high strength in Mg alloys is usually accompanied by ductility loss.Here,a novel Mg97Y1Zn1Ho1 at.%alloy with a yield strength of 403 MPa and an elongation of 10%is developed.The strength-ductility synergy is obtained by a comprehensive strategy,including a lamella bimodal microstructure design and the introduction of nano-spaced solute-segregated 14H long-period stacking-ordered phase(14H LPSO phase)through rare-earth Ho alloying.The lamella bimodal microstructure consists of elongated un-recrystallized(un-DRXed)coarse grains and fine dynamically-recrystallized grains(DRXed regions).The nano-spaced solute-segregated 14H LPSO phase is distributed in DRXed regions.The outstanding yield strength is mainly contributed by grain-boundary strengthening,18R LPSO strengthening,and fiberlike reinforcement strengthening from the nano-spaced 14H LPSO phase.The high elongation is due primarily to the combined effects of the bimodal and lamellar microstructures through enhancing the work-hardening capability.
基金supported by the National Natural Science Foundation of China(No.51807146)the Young Talent Support Plan of Xi’an Jiaotong University(No.DQ1J009).
文摘The reaction thermodynamics for synthesizing the“312”and“413”o-MAX phases using the powder met-allurgy are investigated using a linear programing optimization algorithm based on the high-throughput first principles phonon calculations.The validity and reliability of the current methodology are verified by correctly predicting the impurities in four experimentally known o-MAX systems including Cr-Ti-Al-C,Cr-V-Al-C,Mo-Sc-Al-C and Mo-Ti-Al-C.The formability of each investigated o-MAX phase is evaluated by means of formation enthalpy and formation Gibbs free energy in a temperature range from 0 K to 1700 K.It is revealed that the thermodynamic stability of the“413”o-MAX structure is no better than that of the“312”phase.The formability of“413”o-MAX is also reduced at high sintering temperature,compared to that of“312”phase.The optimal synthetic routes are predicted for all thermodynamically stable“312”and“413”o-MAX phases.It is found that most o-MAX phases considered could be prepared as the single phase using the non-conventional synthetic routes from the aspect of reaction thermodynamics.Few of them including Cr_(2)TaAlC_(2),Nb_(2)HfAlC_(2),Nb_(2)TaAlC_(2),Nb_(2)Hf_(2)AlC_(3),Nb_(2)Ta_(2)AlC_(3),Mo_(2)V_(2)AlC_(3)and Mo_(2)Ta_(2)AlC_(3)are predicted to be either destabilized at high temperature or overwhelmed by the most competing side reaction.
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Lanzhou Science and Technology Plan Project Funding(Project No.:2021-1-44)and Project Funding of Fangda Carbon New Material Co.,Ltd.
文摘Phase change materials(PCMs)have great potential in thermal energy management,but their low ther-mal conductivity,easy leakage,and poor thermal stability limit their wide application.After constructing the biomimetic leaf-vein-like three-dimensional(3D)structure of boron nitride(BN)and impregnated with polyethylene glycol(PEG),the comprehensive properties of phase change composites were effec-tively enhanced under low filler content.The PEG is stored in the 3D structure of BN,which can prevent leakage at high temperatures and enhance the composites’thermal stability and storage modulus.As a fast channel of transmission of phonons,the BN skeleton can effectively reduce thermal resistance.When the amount of filler is 10 vol%,the highest thermal conductivity of the composite PCMs is 2.62 W m-1 K-1,which is 10.1 times than that of pure PEG.Under the infrared camera,the composite PCMs yielded excellent battery thermal management performance,indicating that the material has great potential in thermal management.
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.
