The objective of this study is to determine the isothermal section at 400℃ of the Mgsingle bondCesingle bondSr system.In this study,the constitution of the Cesingle bondSr system and the Mgsingle bondCesingle bondSr ...The objective of this study is to determine the isothermal section at 400℃ of the Mgsingle bondCesingle bondSr system.In this study,the constitution of the Cesingle bondSr system and the Mgsingle bondCesingle bondSr system have been investigated over the entire composition range using X-ray diffraction(XRD),field emission scanning electron microscope(SEM)and energy dispersive spectroscopy(EDS).No any new binary compound has been found in the Cesingle bondSr system and no ternary compound has been found in the Mgsingle bondCesingle bondSr system also.Nine three-phase regions have been experimentally observed.Six binary phases Mg_(2)Sr,Mg_(23)Sr_(6),Mg_(38)Sr_(9),Mg_(17)Sr_(2),Mg_(12)Ce,Mg_(41)Ce_(5) are detected dissolving about 3-7 at.%the third element.This study first detected the experimental data of the Cesingle bondSr binary system and determined the isothermal section at 400℃ of the Mgsingle bondCesingle bondSr ternary system.展开更多
An equiatomic CoCrFeNiMn high entropy alloy （HEA） was produced by powder metallurgy method. Cold rolling followed by subsequent annealing was conducted to further optimize the microstructure and mechanical propertie...An equiatomic CoCrFeNiMn high entropy alloy （HEA） was produced by powder metallurgy method. Cold rolling followed by subsequent annealing was conducted to further optimize the microstructure and mechanical properties. The results show that the SPSed CoCrFeNiMn HEA has an equiaxed single fcc phase microstructrue. Cold rolling results in extensive dislocation pile-up and twinning within the grains. The 80% cold-rolled alloy shows very high yield strength of 1292 MPa, but a limited elongation of 3%. Subsequent annealing produces recrystallization and precipitation of fine a particles with particle size of 30-100 nm. The annealed alloy has a yield strength of 540 MPa, which is about two to three times of the cast CoCrFeNiMn HEA, while still maintains a high tensile ductility of 41%. The improvement of the tensile properties is caused by the grain boundary strengthening, solid solution strengthening, and precipitation strengthening.展开更多
Carbon quantum dots(CQDs)as a new class of emerging materials have gradually drawn researchers’concern in recent years.In this work,the graphitic CQDs are prepared through a scalable approach,achieving a high yield w...Carbon quantum dots(CQDs)as a new class of emerging materials have gradually drawn researchers’concern in recent years.In this work,the graphitic CQDs are prepared through a scalable approach,achieving a high yield with more than 50%.The obtained CQDs are further used as structure-directing and conductive agents to synthesize novel N,S-CQDs/NiCo2S4 composite cathode materials,manifesting the enhanced electrochemical properties resulted from the synergistic effect of highly conductive N,S-codoped CQDs offering fast electronic transport and unique micro-/nanostructured NiCo2S4 microspheres with Faradaic redox characteristic contributing large capacity.Moreover,the nitrogen-doped reduced graphene oxide(N-rGO)/Fe2O3 composite anode materials exhibit ultrahigh specific capacity as well as significantly improved rate property and cycle performance originating from the high-capacity prism-like Fe2O3 hexahedrons tightly wrapped by highly conductive N-rGO.A novel alkaline aqueous battery assembled by these materials displays a specific energy(50.2 Wh kg^−1),ultrahigh specific power(9.7 kW kg^−1)and excellent cycling performance with 91.5%of capacity retention at 3 A g^−1 for 5000 cycles.The present research offers a valuable guidance for the exploitation of advanced energy storage devices by the rational design and selection of battery/capacitive composite materials.展开更多
The highly-dispersed iron element decorated Ni foam was prepared by simple immersion in a ferric nitrate solution at room temperature without using acid etching, and characterized by X-ray powder diffraction(XRD), sca...The highly-dispersed iron element decorated Ni foam was prepared by simple immersion in a ferric nitrate solution at room temperature without using acid etching, and characterized by X-ray powder diffraction(XRD), scanning electron microscopy(SEM), EDAX spectrum(EDAX mapping) and Raman spectroscopy. The EDAX spectrum illustrated that iron element was highly-dispersed over the entire surface of nickel foam, and the Raman spectroscopy revealed that both Ni-O and Fe-O bonds were formed on the surface of the as-prepared electrode. Moreover, the iron element decorated Ni foam electrode can be used as non-enzymatic glucose sensor and it exhibits not only an ultra-wide linear concentration range of 1-18 mmol/L with an outstanding sensitivity of 1.0388 m A·mmol/(L·cm2), but also an excellent ability of stability and selectivity. Therefore, this work presents a simple yet effective approach to successfully modify Ni foam as non-enzymatic glucose sensor.展开更多
Selective laser melting(SLM)has the advantage in preparing supersaturated solid solutions due to its unique thermal field and high solidification rate.In this study,a face-centered cubic single-phase FeCrNi medium ent...Selective laser melting(SLM)has the advantage in preparing supersaturated solid solutions due to its unique thermal field and high solidification rate.In this study,a face-centered cubic single-phase FeCrNi medium entropy alloy(MEA)with an ultrahigh Cr content(~35 at.%)was additively manufactured by SLM.The as-built MEA shows a hierarchical microstructure of coarse columnar grains and submicron dislocation cell structures,where the cell boundaries are probed segregated with Cr and C and decorated with nano carbides.The appearance of these dislocation barriers results in an excellent combination of strength(σ_(0.2)=745 MPa,σ_(UTS)=1007 MPa)and ductility(ε_(f)=31%).The current MEA also shows a superb corrosion resistance with a corrosion current density of 0.06μA cm^(−2) in 3.5 wt.%NaCl solution,which is far lower than that of 316 L.The high content of solutioned Cr in the MEA ensures sufficient Cr supply to form an integrated Cr_(2)O_(3) passive film,and the large number of cell boundaries acting as the diffusion channels lead to the fast formation of a stable passive film over the alloy surface.展开更多
The mechanical properties of refractory high entropy alloys(RHEAs) strongly depend on their phase structures. In this work, the phase stability of a BCC TiNbTa0.5ZrAl0.5 refractory high entropy alloy subjected to ther...The mechanical properties of refractory high entropy alloys(RHEAs) strongly depend on their phase structures. In this work, the phase stability of a BCC TiNbTa0.5ZrAl0.5 refractory high entropy alloy subjected to thermomechanical processing was evaluated, and the effects of phase decomposition on room/high temperature mechanical properties were quantitatively studied. It was found that, the thermomechanical processing at 800℃and 1200℃ leads to phase decomposition in the TiNbTa0.5ZrAl0.5 alloy. The phase decomposition is caused by the rapid rising of free energy of the primary BCC phase. The effect of the precipitates on room temperature strength is determined by the competition between the increasing in precipitation strengthening and the decreasing in solid solution strengthening. But at high temperatures(800-1200℃), the phase decomposition causes significant reduction in strength, mainly due to the grain boundary sliding and the decreasing in solid solution strengthening.展开更多
In this work,TieMg metal-metal composites(MMCs)were successfully fabricated by spark plasma sintering(SPS).In vitro,the proliferation and differentiation of SaOS-2 cells in response to TieMg metal-metal composites(MMC...In this work,TieMg metal-metal composites(MMCs)were successfully fabricated by spark plasma sintering(SPS).In vitro,the proliferation and differentiation of SaOS-2 cells in response to TieMg metal-metal composites(MMCs)were investigated.In vivo,a rat model with femur condyle defect was employed,and TieMg MMCs implants were embedded into the femur condyles.Results showed that TieMg MMCs exhibited enhanced cytocompatibility to SaOS-2 cells than pure Ti.The micro-computed tomography(Micro-CT)results showed that the volume of bone trabecula was significantly more abundant around TieMg implants than around Ti implants,indicating that more active new-bone formed around TieMg MMCs implants.Hematoxylin-eosin(H&E)staining analysis revealed significantly greater osteointegration around TieMg implants than that around Ti implants.展开更多
Mg-Zn-Zr series Mg alloys(ZK) are one of the most important commercial Mg alloys due to their good comprehensive mechanical properties. The phase equilibria of the Mg-Zn-Zr system at 400 ℃ covering the overall compos...Mg-Zn-Zr series Mg alloys(ZK) are one of the most important commercial Mg alloys due to their good comprehensive mechanical properties. The phase equilibria of the Mg-Zn-Zr system at 400 ℃ covering the overall composition range were investigated by X-ray diffraction and electron probe microanalyses on thirteen ternary alloys. Three ternary compounds, τ_1, τ_2 and τ_3, were detected to be thermodynamically stable at 400 ℃, and their homogeneity range was determined to be Mg_((7-17))Zn_((80-88))Zr_((4-6)), Mg_((15-22))Zn_((66-65))Zr_((9-16)) and Mg_9 Zn_(68)Zr_(23)(in at.%), respectively. Eight three-phase regions and four two-phase regions were observed. The maximum solubility of Mg in Zn_(22) Zr, Zn_(39) Zr_5 and Zn_3 Zr phases was measured to be 0.52, 0.37 and 0.99 at.%, respectively, while the solubility of Zr in MgZn_2 and Mg_2 Zn_3 phases is negligible. The isothermal section of the Mg-Zn-Zr system at 400 ℃ was then constructed based on the present experimental data.展开更多
In this study, the effect of multi-walled carbon nanotubes （MWCNTs） additive on the dehydriding properties of the Zn（BH4）2/NaCl composite prepared by high energy ball milling were investigated. X-ray diffraction ...In this study, the effect of multi-walled carbon nanotubes （MWCNTs） additive on the dehydriding properties of the Zn（BH4）2/NaCl composite prepared by high energy ball milling were investigated. X-ray diffraction （XRD）, Fourier transform infrared spectroscopy （FTIR） results demonstrated that Zn（BH4）2 was produced from mechanochemical reaction between ZnCl2 and NaBH4. Compared with the undoped sample, 10 wt% MWCNTs effectively lowered the decomposition temperature of Zn（BH4）2 by 15 ℃. The complex released 3.6 wt% hydrogen within 250 s at 100 ℃ and totally released 4.5 wt% hydrogen within 2500 s, indicating it has a considerable potential as a hydrogen storage material.展开更多
Emerging hierarchical MoS2/pillared-montmorillonite （MoS2/PMMT） hybrid nanosheets were successfully prepared through facile in-situ hydrothermal synthesis of MoS2 within the interlayer of cetyltrimethylammonium brom...Emerging hierarchical MoS2/pillared-montmorillonite （MoS2/PMMT） hybrid nanosheets were successfully prepared through facile in-situ hydrothermal synthesis of MoS2 within the interlayer of cetyltrimethylammonium bromide PMMT, and their catalytic performance was evaluated by the reduction reaction of 4-nitrophenol （4-NP） using NaBH4 as a reductant. Microstructure and morphology characterization indicated that MoS2/PMMT exhibited hybrid-stacked layered structures with an interlayer spacing of 1.29 nm, and the MoS2 nanosheets were intercalated within the montmorillonite （MMT） layers, with most of the edges exposed to the outside. The catalytic activity and stability of MoS2/PMMT were both enhanced by the MMT. With the MoS2/PMMT as the catalyst, the apparent reaction rate constant of the 4-NP reduction was 0.723 min-1 and was maintained at -0.679 min-1 after five reaction cycles. The structural evolution of MoSdPMMT and the possible catalysis mechanism for the reduction reaction of 4-NP were investigated. The as-prepared MOSR/PMMT hybrid nanosheets are promising candidates for catalytic application in the water-treatment and biomedical fields. The strategy developed in this study can provide insights for designing hybrid nanosheets with diverse heterogeneous two-dimensional （2D） nanomaterials.展开更多
A program CALTPP(CALculation of ThermoPhysical Properties)is developed in order to provide various thermophysical properties such as diffusion coefficient,interfacial energy,thermal conductivity,viscosity and molar vo...A program CALTPP(CALculation of ThermoPhysical Properties)is developed in order to provide various thermophysical properties such as diffusion coefficient,interfacial energy,thermal conductivity,viscosity and molar volume mainly as function of temperature and composition.These thermophysical properties are very important inputs for microstructure simulations and mechanical property predictions.The general structure of CALTPP is briefly described,and the CALPHAD-type models for the description of these thermophysical properties are presented.The CALTPP program contains the input module,calculation and/or optimization modules and output module.A few case studies including(a)the calculation of diffusion coefficient and optimization of atomic mobility,(b)the calculation of solid/liquid,coherent solid/solid and liquid/liquid interfacial energies,(c)the calculation of thermal conductivity,(d)the calculation of viscosity,and(e)the establishment of molar volume database in binary and ternary alloys are demonstrated to show the features of CALTPP.It is expected that CALTPP will be an effective contribution in both scientific research and education.展开更多
In this study,insights into the effect of interfacial anisotropy on a complex hexagonal close-packed(hcp) dendritic growth during alloy solidification were gained by graphics processing unit(GPU)-accelerated three-dim...In this study,insights into the effect of interfacial anisotropy on a complex hexagonal close-packed(hcp) dendritic growth during alloy solidification were gained by graphics processing unit(GPU)-accelerated three-dimensional(3D) phase-field simulations,as demonstrated for a Mg-Gd alloy.An anisotropic phasefield model with finite interface dissipation was developed by incorporating the contribution of the anisotropy of interfacial energy into the total free energy functional.The modified spherical harmonic anisotropy function was then chosen for the hcp crystal.The GPU parallel computing algorithm was implemented in the present phase-field model,and a corresponding code was developed in the compute unified device architecture parallel computing platform.Benchmark tests indicated that the calculation efficiency of a single TESLA V100 GPU could be~80times that of open multi-processing(OpenMP) with eight central processing unit cores.By coupling the phase-field model with reliable thermodynamic and interfacial energy descriptions,the 3D phase-field simulation of α-Mg dendritic growth in the Mg-6Gd(in wt%) alloy during solidification was performed.Various two-dimensional dendrite morphologies were revealed by cutting the simulated 3D dendrite along different crystallographic planes.Typical sixfold equiaxed and butterflied microstructures observed in experiments were well reproduced.展开更多
基金The financial supports by the National Natural Science Foundation of China(No.51061003)the Natural Science Foundation of Guangxi Province(No.2011GXNSFF018001)are gratefully acknowledged.
文摘The objective of this study is to determine the isothermal section at 400℃ of the Mgsingle bondCesingle bondSr system.In this study,the constitution of the Cesingle bondSr system and the Mgsingle bondCesingle bondSr system have been investigated over the entire composition range using X-ray diffraction(XRD),field emission scanning electron microscope(SEM)and energy dispersive spectroscopy(EDS).No any new binary compound has been found in the Cesingle bondSr system and no ternary compound has been found in the Mgsingle bondCesingle bondSr system also.Nine three-phase regions have been experimentally observed.Six binary phases Mg_(2)Sr,Mg_(23)Sr_(6),Mg_(38)Sr_(9),Mg_(17)Sr_(2),Mg_(12)Ce,Mg_(41)Ce_(5) are detected dissolving about 3-7 at.%the third element.This study first detected the experimental data of the Cesingle bondSr binary system and determined the isothermal section at 400℃ of the Mgsingle bondCesingle bondSr ternary system.
基金supported by the National Key Research and Development Plan of China(Grant No.2016YFB0700302)the National Key Fundamental Research and Development Project of China(Grant No.2014CB644002)+3 种基金the National Natural Science Foundation of China(Grant No.51671217)the Science and Technology Planning Project of Hunan Province of China(Grant No.2015SK1002-1)the Innovation Driven Plan of Central South University(Grant No.2015CX004)the State Key Lab of Powder Metallurgy
文摘An equiatomic CoCrFeNiMn high entropy alloy （HEA） was produced by powder metallurgy method. Cold rolling followed by subsequent annealing was conducted to further optimize the microstructure and mechanical properties. The results show that the SPSed CoCrFeNiMn HEA has an equiaxed single fcc phase microstructrue. Cold rolling results in extensive dislocation pile-up and twinning within the grains. The 80% cold-rolled alloy shows very high yield strength of 1292 MPa, but a limited elongation of 3%. Subsequent annealing produces recrystallization and precipitation of fine a particles with particle size of 30-100 nm. The annealed alloy has a yield strength of 540 MPa, which is about two to three times of the cast CoCrFeNiMn HEA, while still maintains a high tensile ductility of 41%. The improvement of the tensile properties is caused by the grain boundary strengthening, solid solution strengthening, and precipitation strengthening.
基金financially supported by National Natural Science Foundation of China(21601057)Hunan Provincial Natural Science Foundation of China(2018JJ3116)Excellent Youth Fund of Hunan Provincial Education Department(18B298)
文摘Carbon quantum dots(CQDs)as a new class of emerging materials have gradually drawn researchers’concern in recent years.In this work,the graphitic CQDs are prepared through a scalable approach,achieving a high yield with more than 50%.The obtained CQDs are further used as structure-directing and conductive agents to synthesize novel N,S-CQDs/NiCo2S4 composite cathode materials,manifesting the enhanced electrochemical properties resulted from the synergistic effect of highly conductive N,S-codoped CQDs offering fast electronic transport and unique micro-/nanostructured NiCo2S4 microspheres with Faradaic redox characteristic contributing large capacity.Moreover,the nitrogen-doped reduced graphene oxide(N-rGO)/Fe2O3 composite anode materials exhibit ultrahigh specific capacity as well as significantly improved rate property and cycle performance originating from the high-capacity prism-like Fe2O3 hexahedrons tightly wrapped by highly conductive N-rGO.A novel alkaline aqueous battery assembled by these materials displays a specific energy(50.2 Wh kg^−1),ultrahigh specific power(9.7 kW kg^−1)and excellent cycling performance with 91.5%of capacity retention at 3 A g^−1 for 5000 cycles.The present research offers a valuable guidance for the exploitation of advanced energy storage devices by the rational design and selection of battery/capacitive composite materials.
基金Project(2019zzts684)supported by the Fundamental Research Funds for the Central Universities,China。
文摘The highly-dispersed iron element decorated Ni foam was prepared by simple immersion in a ferric nitrate solution at room temperature without using acid etching, and characterized by X-ray powder diffraction(XRD), scanning electron microscopy(SEM), EDAX spectrum(EDAX mapping) and Raman spectroscopy. The EDAX spectrum illustrated that iron element was highly-dispersed over the entire surface of nickel foam, and the Raman spectroscopy revealed that both Ni-O and Fe-O bonds were formed on the surface of the as-prepared electrode. Moreover, the iron element decorated Ni foam electrode can be used as non-enzymatic glucose sensor and it exhibits not only an ultra-wide linear concentration range of 1-18 mmol/L with an outstanding sensitivity of 1.0388 m A·mmol/(L·cm2), but also an excellent ability of stability and selectivity. Therefore, this work presents a simple yet effective approach to successfully modify Ni foam as non-enzymatic glucose sensor.
基金supported by the National Natural Science Foundation of China(Nos.52020105013 and 51771232)the National Key Research and Development Plan of China(No.2016YFB0700302)
文摘Selective laser melting(SLM)has the advantage in preparing supersaturated solid solutions due to its unique thermal field and high solidification rate.In this study,a face-centered cubic single-phase FeCrNi medium entropy alloy(MEA)with an ultrahigh Cr content(~35 at.%)was additively manufactured by SLM.The as-built MEA shows a hierarchical microstructure of coarse columnar grains and submicron dislocation cell structures,where the cell boundaries are probed segregated with Cr and C and decorated with nano carbides.The appearance of these dislocation barriers results in an excellent combination of strength(σ_(0.2)=745 MPa,σ_(UTS)=1007 MPa)and ductility(ε_(f)=31%).The current MEA also shows a superb corrosion resistance with a corrosion current density of 0.06μA cm^(−2) in 3.5 wt.%NaCl solution,which is far lower than that of 316 L.The high content of solutioned Cr in the MEA ensures sufficient Cr supply to form an integrated Cr_(2)O_(3) passive film,and the large number of cell boundaries acting as the diffusion channels lead to the fast formation of a stable passive film over the alloy surface.
基金financially supported by the National Natural Science Funds for Distinguished Young Scholar of China (No. 51625404)the National Natural Science Foundation of China (No. 51671217)。
文摘The mechanical properties of refractory high entropy alloys(RHEAs) strongly depend on their phase structures. In this work, the phase stability of a BCC TiNbTa0.5ZrAl0.5 refractory high entropy alloy subjected to thermomechanical processing was evaluated, and the effects of phase decomposition on room/high temperature mechanical properties were quantitatively studied. It was found that, the thermomechanical processing at 800℃and 1200℃ leads to phase decomposition in the TiNbTa0.5ZrAl0.5 alloy. The phase decomposition is caused by the rapid rising of free energy of the primary BCC phase. The effect of the precipitates on room temperature strength is determined by the competition between the increasing in precipitation strengthening and the decreasing in solid solution strengthening. But at high temperatures(800-1200℃), the phase decomposition causes significant reduction in strength, mainly due to the grain boundary sliding and the decreasing in solid solution strengthening.
基金the support from the National Natural Science Funds for Distinguished Young Scholar of China(51625404)China Postdoctoral Science Foundation(2018M630909).
文摘In this work,TieMg metal-metal composites(MMCs)were successfully fabricated by spark plasma sintering(SPS).In vitro,the proliferation and differentiation of SaOS-2 cells in response to TieMg metal-metal composites(MMCs)were investigated.In vivo,a rat model with femur condyle defect was employed,and TieMg MMCs implants were embedded into the femur condyles.Results showed that TieMg MMCs exhibited enhanced cytocompatibility to SaOS-2 cells than pure Ti.The micro-computed tomography(Micro-CT)results showed that the volume of bone trabecula was significantly more abundant around TieMg implants than around Ti implants,indicating that more active new-bone formed around TieMg MMCs implants.Hematoxylin-eosin(H&E)staining analysis revealed significantly greater osteointegration around TieMg implants than that around Ti implants.
基金The financial supports from the National Key Research and Development Plan (No. 2016YFB0701202)the National Natural Science Foundation of China (Grant No. 51771235)
文摘Mg-Zn-Zr series Mg alloys(ZK) are one of the most important commercial Mg alloys due to their good comprehensive mechanical properties. The phase equilibria of the Mg-Zn-Zr system at 400 ℃ covering the overall composition range were investigated by X-ray diffraction and electron probe microanalyses on thirteen ternary alloys. Three ternary compounds, τ_1, τ_2 and τ_3, were detected to be thermodynamically stable at 400 ℃, and their homogeneity range was determined to be Mg_((7-17))Zn_((80-88))Zr_((4-6)), Mg_((15-22))Zn_((66-65))Zr_((9-16)) and Mg_9 Zn_(68)Zr_(23)(in at.%), respectively. Eight three-phase regions and four two-phase regions were observed. The maximum solubility of Mg in Zn_(22) Zr, Zn_(39) Zr_5 and Zn_3 Zr phases was measured to be 0.52, 0.37 and 0.99 at.%, respectively, while the solubility of Zr in MgZn_2 and Mg_2 Zn_3 phases is negligible. The isothermal section of the Mg-Zn-Zr system at 400 ℃ was then constructed based on the present experimental data.
基金the financial support from Hunan Provincial Namral Science Foundation of China (No.10JJ2037)National Natural Science Foundation of China(Grant No.51021063)
文摘In this study, the effect of multi-walled carbon nanotubes （MWCNTs） additive on the dehydriding properties of the Zn（BH4）2/NaCl composite prepared by high energy ball milling were investigated. X-ray diffraction （XRD）, Fourier transform infrared spectroscopy （FTIR） results demonstrated that Zn（BH4）2 was produced from mechanochemical reaction between ZnCl2 and NaBH4. Compared with the undoped sample, 10 wt% MWCNTs effectively lowered the decomposition temperature of Zn（BH4）2 by 15 ℃. The complex released 3.6 wt% hydrogen within 250 s at 100 ℃ and totally released 4.5 wt% hydrogen within 2500 s, indicating it has a considerable potential as a hydrogen storage material.
文摘Emerging hierarchical MoS2/pillared-montmorillonite （MoS2/PMMT） hybrid nanosheets were successfully prepared through facile in-situ hydrothermal synthesis of MoS2 within the interlayer of cetyltrimethylammonium bromide PMMT, and their catalytic performance was evaluated by the reduction reaction of 4-nitrophenol （4-NP） using NaBH4 as a reductant. Microstructure and morphology characterization indicated that MoS2/PMMT exhibited hybrid-stacked layered structures with an interlayer spacing of 1.29 nm, and the MoS2 nanosheets were intercalated within the montmorillonite （MMT） layers, with most of the edges exposed to the outside. The catalytic activity and stability of MoS2/PMMT were both enhanced by the MMT. With the MoS2/PMMT as the catalyst, the apparent reaction rate constant of the 4-NP reduction was 0.723 min-1 and was maintained at -0.679 min-1 after five reaction cycles. The structural evolution of MoSdPMMT and the possible catalysis mechanism for the reduction reaction of 4-NP were investigated. The as-prepared MOSR/PMMT hybrid nanosheets are promising candidates for catalytic application in the water-treatment and biomedical fields. The strategy developed in this study can provide insights for designing hybrid nanosheets with diverse heterogeneous two-dimensional （2D） nanomaterials.
基金The financial supports from the National Natural Science Foundation of China(Grant Nos.51671219 and 51429101)National Key Research and Development Plan(Grant No.2016YFB0701202)are greatly acknowledged.The work of GK was supported by nano-Ginop Project GINOP-2.3.2-15-2016-00027 in the framework of the Szechenyi 2020 program,supported by the European Union.
文摘A program CALTPP(CALculation of ThermoPhysical Properties)is developed in order to provide various thermophysical properties such as diffusion coefficient,interfacial energy,thermal conductivity,viscosity and molar volume mainly as function of temperature and composition.These thermophysical properties are very important inputs for microstructure simulations and mechanical property predictions.The general structure of CALTPP is briefly described,and the CALPHAD-type models for the description of these thermophysical properties are presented.The CALTPP program contains the input module,calculation and/or optimization modules and output module.A few case studies including(a)the calculation of diffusion coefficient and optimization of atomic mobility,(b)the calculation of solid/liquid,coherent solid/solid and liquid/liquid interfacial energies,(c)the calculation of thermal conductivity,(d)the calculation of viscosity,and(e)the establishment of molar volume database in binary and ternary alloys are demonstrated to show the features of CALTPP.It is expected that CALTPP will be an effective contribution in both scientific research and education.
基金supported by the Natural Science Foundation of Hunan Province for Distinguished Young Scholars (No. 2021JJ10062)National Key Research and Development Program of China (No. 2016YFB0301101)+2 种基金Science and Technology Program of Guangxi province, China (No. AB21220028)the financial support from the Fundamental Research Funds for the Central Universities of Central South University (No. 2019zzts050)Postgraduate Scientific Research Innovation Project of Hunan Province (No. CX20190106)。
文摘In this study,insights into the effect of interfacial anisotropy on a complex hexagonal close-packed(hcp) dendritic growth during alloy solidification were gained by graphics processing unit(GPU)-accelerated three-dimensional(3D) phase-field simulations,as demonstrated for a Mg-Gd alloy.An anisotropic phasefield model with finite interface dissipation was developed by incorporating the contribution of the anisotropy of interfacial energy into the total free energy functional.The modified spherical harmonic anisotropy function was then chosen for the hcp crystal.The GPU parallel computing algorithm was implemented in the present phase-field model,and a corresponding code was developed in the compute unified device architecture parallel computing platform.Benchmark tests indicated that the calculation efficiency of a single TESLA V100 GPU could be~80times that of open multi-processing(OpenMP) with eight central processing unit cores.By coupling the phase-field model with reliable thermodynamic and interfacial energy descriptions,the 3D phase-field simulation of α-Mg dendritic growth in the Mg-6Gd(in wt%) alloy during solidification was performed.Various two-dimensional dendrite morphologies were revealed by cutting the simulated 3D dendrite along different crystallographic planes.Typical sixfold equiaxed and butterflied microstructures observed in experiments were well reproduced.
