Ferritic/martensitic(F/M)steel is widely used as a structural material in thermal and nuclear power plants.However,it is susceptible to intergranular damage,which is a critical issue,under service conditions.In this s...Ferritic/martensitic(F/M)steel is widely used as a structural material in thermal and nuclear power plants.However,it is susceptible to intergranular damage,which is a critical issue,under service conditions.In this study,to improve the resistance to intergranular damage of F/M steel,a thermomechanical process(TMP)was employed to achieve a grain boundary engineering(GBE)microstructure in F/M steel P92.The TMP,including cold-rolling thickness reduction of 6%,9%,and 12%,followed by austenitization at 1323 K for 40 min and tempering at 1053 K for 45 min,was applied to the as-received(AR)P92 steel.The prior austenite grain(PAG)size,prior austenite grain boundary character distribution(GBCD),and connectivity of prior austenite grain boundaries(PAGBs)were investigated.Compared to the AR specimen,the PAG size did not change significantly.The fraction of coincident site lattice boundaries(CSLBs,3≤Σ≤29)and Σ3^(n) boundaries along PAGBs decreased with increasing reduction ratio because the recrystallization fraction increased with increasing reduction ratio.The PAGB connectivity of the 6%deformed specimen slightly deteriorated compared with that of the AR specimen.Moreover,potentiodynamic polarization studies revealed that the intergranular damage resistance of the studied steel could be improved by increasing the fraction of CSLBs along the PAGBs,indicating that the TMP,which involves low deformation,could enhance the intergranular damage resistance.展开更多
Quantitative relationship between nanosecond pulsed laser parameters and the characteristics of laser-generated ultrasonic waves in polycrystalline materials was evaluated.The high energy of the pulsed laser with a la...Quantitative relationship between nanosecond pulsed laser parameters and the characteristics of laser-generated ultrasonic waves in polycrystalline materials was evaluated.The high energy of the pulsed laser with a large irradiation spot simultaneously generated ultrasonic longitudinal and shear waves at the epicenter under the slight ablation regime.An optimized denoising technique based on wavelet thresholding and variational mode decomposition was applied to reduce noise in shear waves with a low signal-to-noise ratio.An approach for characterizing grain size was proposed using spectral central frequency ratio(SCFR)based on time-frequency analysis.The results demonstrate that the generation regime of ultrasonic waves is not solely determined by the laser power density;even at high power densities,a high energy with a large spot can generate an ultrasonic waveform dominated by the thermoelastic effect.This is ascribed to the intensification of the thermoelastic effect with the proportional increase in laser irradiation spot area for a given laser power density.Furthermore,both longitudinal and shear wave SCFRs are linearly related to grain size in polycrystalline materials;however,the shear wave SCFR is more sensitive to finer-grained materials.This study holds great significance for evaluating metal material properties using laser ultrasound.展开更多
Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM)cathode,but the enlarged Li/Ni cation mixing leads to the infe...Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM)cathode,but the enlarged Li/Ni cation mixing leads to the inferior rate capability originating from the hindered Li~+migration.Note that the non-magnetic Ti~(4+)ion can suppress Li/Ni disorder by removing the magnetic frustration in the transition metal layer.However,it is still challenging to directionally design expected Ta/Ti dual-modification,resulting from the complexity of the elemental distribution and the uncertainty of in-situ formed coating compounds by introducing foreign elements.Herein,a LiTaO_3 grain boundary(GB)coating and bulk Ti-doping have been successfully achieved in LiNi_(0.834)Co_(0.11)Mn_(0.056)O_(2) cathode by thermodynamic guidance,in which the structural formation energy and interfacial binding energy are employed to predict the elemental diffusion discrepancy and thermodynamically stable coating compounds.Thanks to the coupling effect of strengthened structural/interfacial stability and improved Li~+diffusion kinetics by simultaneous bulk/GB engineering,the Ta/Ti-NCM cathode exhibits outstanding capacity retention,reaching 91.1%after 400 cycles at 1 C.This elaborate work contributes valuable insights into rational dual-modification engineering from a thermodynamic perspective for maximizing the electrochemical performances of NCM cathodes.展开更多
Grain boundaries(GBs)play a crucial role on the structural stability and mechanical properties of Cu and its alloys.In this work,molecular dynamics(MD)simulations are employed to study the effects of Fe solutes on the...Grain boundaries(GBs)play a crucial role on the structural stability and mechanical properties of Cu and its alloys.In this work,molecular dynamics(MD)simulations are employed to study the effects of Fe solutes on the formation energy,excess volume,dislocations and melting behaviors of GBs in CuFe alloys.It is illustrated that Fe solute affects the structural stability of Cu GBs substantially,the formation energy of GBs is reduced,but the thickness and melting point of GBs are increased,that is,the structural stability of Cu GBs is significantly improved owing to the Fe solutes.A strong scaling law exists between the formation energy,excess volume,thickness and melting point of GBs.Therefore,Fe solid solute plays an important role in the characteristics of GBs in bi-crystal Cu.展开更多
The helium bubbles induced by 14 MeV neutron irradiation can cause intergranular fractures in reduced activation ferritic martensitic steel,which is a candidate structural material for fusion reactors.In order to eluc...The helium bubbles induced by 14 MeV neutron irradiation can cause intergranular fractures in reduced activation ferritic martensitic steel,which is a candidate structural material for fusion reactors.In order to elucidate the susceptibility of different grain boundaries(GBs)to helium-induced embrittlement,the tensile fracture processes of 10 types of GBs with and without helium bubbles in body-centered cubic(bcc)iron at the relevant service temperature of 600 K were investigated via molecular dynamics methods.The results indicate that in the absence of helium bubbles,the GBs studied here can be classified into two distinct categories:brittle GBs and ductile GBs.The atomic scale analysis shows that the plastic deformation of ductile GB at high temperatures originates from complex plastic deformation mechanisms,including the Bain/Burgers path phase transition and deformation twinning,in which the Bain path phase transition is the most dominant plastic deformation mechanism.However,the presence of helium bubbles severely inhibits the plastic deformation channels of the GBs,resulting in a significant decrease in elongation at fractures.For bubble-decorated GBs,the ultimate tensile strength increases with the increase in the misorientation angle.Interestingly,the coherent twin boundary∑3{112}was found to maintain relatively high fracture strength and maximum failure strain under the influence of helium bubbles.展开更多
Numerous irradiation-induced gas bubbles are created in the nuclear fuel during irradiation, leading to the change of microstructure and the degradation of mechanical and thermal properties. The grain size of fuel is ...Numerous irradiation-induced gas bubbles are created in the nuclear fuel during irradiation, leading to the change of microstructure and the degradation of mechanical and thermal properties. The grain size of fuel is one of the important factors affecting bubble evolution. In current study, we first predict the thermodynamic behaviors of point defects as well as the interplay between vacancy and gas atom in both UO_(2) and U_(3)Si_(2) according to ab initio approach. Then, we establish the irradiation-induced bubble phase-field model to investigate the formation and evolution of intra-and inter-granular gas bubbles. The effects of fission rate and temperature on the evolutions of bubble morphologies in UO_(2) and U_(3)Si_(2) have been revealed. Especially, a comparison of porosities under different grain sizes is examined and analyzed. To understand the thermal conductivity as functions of grain size and porosity, the heat transfer capability of U_(3)Si_(2) is evaluated.展开更多
Bismuth-based catalysts are highly promising for the electrochemical carbon dioxide reduction reaction(eCO_(2)RR)to formate product.However,achieving high activity and selectivity towards formate and ensuring long-ter...Bismuth-based catalysts are highly promising for the electrochemical carbon dioxide reduction reaction(eCO_(2)RR)to formate product.However,achieving high activity and selectivity towards formate and ensuring long-term stability remains challenging.This work reports the oxygen plasma inducing strategy to construct the abundant grain boundaries of Bi/BiO_x on ultrathin two-dimensional Bi nanosheets.The oxygen plasma-treated Bi nanosheet(OP-Bi)exhibits over 90%Faradaic efficiency(FE)for formate at a wide potential range from-0.5 to-1.1 V,and maintains a great stability catalytic performance without significant decay over 30 h in flow cell.Moreover,membrane electrode assembly(MEA)device with OPBi as catalyst sustains the robust current density of 100 mA cm^(-2)over 50 h,maintaining a formate FE above 90%.In addition,rechargeable Zn-CO_(2)battery presents the peak power density of1.22 mW cm^(-2)with OP-Bi as bifunctional catalyst.The mechanism experiments demonstrate that the high-density grain boundaries of OP-Bi provide more exposed active sites,faster electron transfer capacity,and the stronger intrinsic activity of Bi atoms.In situ spectroscopy and theo retical calculations further elucidate that the unsaturated Bi coordination atoms between the grain boundaries can effectively activate CO_(2)molecules through elongating the C-O bond,and reducing the formation energy barrier of the key intermediate(^(*)OCOH),thereby enhancing the catalytic performance of eCO_(2)RR to formate product.展开更多
Generally,layered Ni-rich cathode materials exhibit the morphology of polycrystalline secondary sphere composed of numerous primary particles.While the arrangement of primary particles plays a very important role in t...Generally,layered Ni-rich cathode materials exhibit the morphology of polycrystalline secondary sphere composed of numerous primary particles.While the arrangement of primary particles plays a very important role in the properties of Ni-rich cathodes.The disordered particle arrangement is harmful to the cyclic performance and structural stability,yet the fundamental understanding of disordered structure on the structural degradation behavior is unclarified.Herein,we have designed three kinds of LiNi_(0.83)Co_(0.06)Mn_(0.11)O_(2) cathode materials with different primary particle orientations by regulating the precursor coprecipitation process.Combining finite element simulation and in-situ characterization,the Li^(+)transport and structure evolution behaviors of different materials are unraveled.Specifically,the smooth Li^(+)diffusion minimizes the reaction heterogeneity,homogenizes the phase transition within grains,and mitigates the anisotropic microstructural change,thereby modulating the crack evolution behavior.Meanwhile,the optimized structure evolution ensures radial tight junctions of the primary particles,enabling enhanced Li^(+)diffusion during dynamic processes.Closed-loop bidirectional enhancement mechanism becomes critical for grain orientation regulation to stabilize the cyclic performance.This precursor engineering with particle orientation regulation provides the useful guidance for the structural design and feature enhancement of Ni-rich layered cathodes.展开更多
Experimental study has been conducted for an interstitial free(IF) sheet steel on its surface roughness evolution and formability with respect to grain size and sheet thickness effect. The surface roughness of IF she...Experimental study has been conducted for an interstitial free(IF) sheet steel on its surface roughness evolution and formability with respect to grain size and sheet thickness effect. The surface roughness of IF sheet steel is proportional to effective strain, grain size and inversely proportional to sheet thickness; the larger grain reduces the formability by accelerating the surface roughening rate and enhance formability by raising the workhardening rate, while the latter effect plays the dominate role. The grain size effect on surface roughening and formability is more obvious when the sheets are thinner.展开更多
A three-dimensional(3D)multiple phase field model,which takes into account the grain boundary(GB)energy anisotropy caused by texture,is established based on real grain orientations and Read-Shockley model.The model is...A three-dimensional(3D)multiple phase field model,which takes into account the grain boundary(GB)energy anisotropy caused by texture,is established based on real grain orientations and Read-Shockley model.The model is applied to the grain growth process of polycrystalline Mg(ZK60)alloy to investigate the evolution characteristics in different systems with varying proportions of low-angle grain boundary(LAGB)caused by different texture levels.It is found that the GB energy anisotropy can cause the grain growth kinetics to change,namely,higher texture levels(also means higher LAGB proportion)result in lower kinetics,and vice versa.The simulation results also show that the topological characteristics,such as LAGB proportion and distribution of grain size,undergo different evolution characteristics in different systems,and a more serious grain size fluctuation can be caused by a higher texture level.The mechanism is mainly the slower evolution of textured grains in their accumulation area and the faster coarsening rate of non-textured grains.Therefore,weakening the texture level is an effective way for implementing a desired homogenized microstructure in ZK60 Mg alloy.The rules revealed by the simulation results should be of great significance for revealing how the GB anisotropy affects the evolution of polycrystalline during the grain growth after recrystallization and offer the ideas for processing the alloy and optimizing the microstructure.展开更多
Plate-impact experiments have been carried out to examine the effect of grain size and grain arrangement on the damage evolution of ultrapure aluminum. Two groups of samples, ＂cross-cut＂ and ＂longitudinal-cut,＂ ar...Plate-impact experiments have been carried out to examine the effect of grain size and grain arrangement on the damage evolution of ultrapure aluminum. Two groups of samples, ＂cross-cut＂ and ＂longitudinal-cut,＂ are obtained from the rolled aluminum rod along different directions. The peak compressive stress is approximately 1.25 GPa–1.61 GPa, which can cause incipient spall damage that is correlated to the material microstructure. The metallographic analyses of all recovered samples show that nearly all damage nucleates at the grain boundaries, especially those with larger curvature. Moreover, under lower shock stress, the spall strength of the ＂longitudinal-cut＂ sample is smaller than that of the ＂crosscut＂ sample, because the different grain sizes and arrangement of the two samples cause different nucleation, growth, and coalescence processes. In this study, the difference in the damage distribution between ＂longitudinal-cut＂ and ＂cross-cut＂ samples and the causes for this difference under lower shock-loading conditions are also analyzed by both qualitative and semi-quantitative methods. It is very important for these conclusions to establish a reasonable and perfect equation of damage evolution for ductile metals.展开更多
Molecular dynamics simulations are carried out to investigate the mechanisms of low-temperature impact toughness of the ultrafine grain structure steel. The simulation results suggest that the sliding of the {001 }/{ ...Molecular dynamics simulations are carried out to investigate the mechanisms of low-temperature impact toughness of the ultrafine grain structure steel. The simulation results suggest that the sliding of the {001 }/{ 110} type and { 110}/{ 111 } type grain boundary can improve the impact toughness. Then, the mechanism of grain boundary sliding is studied and it is found that the motion of dislocations along the grain boundary is the underlying cause of the grain boundary sliding. Finally, the sliding of the grain boundary is analyzed from the standpoint of the energy. We conclude that the measures which can increase the quantity of the {001}/{110} type and {110}/{ 111} type grain boundary and elongate the free gliding distance of dislocations along these grain boundaries will improve the low-temperature impact toughness of the ultrafine grain structure steel.展开更多
This work outlines an experimental investigation of grain-size-dependent structure evolution under tension in nickel with a grain size gradient.Two opposite and competing processes,grain refinement and coarsening,were...This work outlines an experimental investigation of grain-size-dependent structure evolution under tension in nickel with a grain size gradient.Two opposite and competing processes,grain refinement and coarsening,were examined within one specimen,due to the widely ranging grain size in gradient-structured(GS)Ni.A tensioninduced minimum grain size of approximately 280 nm was determined in GS Ni,which is comparable to those obtained by severe plastic deformation processes.The minimum grain size was phenomenologically explained using a dislocation model.Below the minimum grain size,the Ni’s grain coarsening ability peaked at approximately 50 nm and progressively decreased with decreasing grain size,showing an inverse grain-size-dependent coarsening tendency.Moreover,this inverse grain coarsening behavior was related to a transition in the deformation mechanism,through which the deformation process was accommodated more by partial dislocation than by full dislocation below a critical grain size.This was confirmed by observation of the microstructure and low temperature tensile testing results.This work demonstrates a high-throughput strategy for exploring the minimum grain size and grain-size-dependent coarsening in metals.展开更多
Describes a new computer program (Regress-3D) to simulate the regression of complex 3D grain cavity and calculate the burning surface area. It has a large region of applicability in solid rocket motor design and has...Describes a new computer program (Regress-3D) to simulate the regression of complex 3D grain cavity and calculate the burning surface area. It has a large region of applicability in solid rocket motor design and has made new improvements compared with other available codes. User can easily and rapidly build his initial grain shapes and then obtain geometric information of his design. Considering with the calclulting results, redesigning can be performed as desire until reaching at the satisfied result. Advantages and disadvantages of this method are also discussed.展开更多
Incipient motion of pebbles is an unsteady and random process,the main influence factors are pebble shape,non-uniformity,location in bed and flow condition.By virtue of the concept of the equivalent grain size,it is s...Incipient motion of pebbles is an unsteady and random process,the main influence factors are pebble shape,non-uniformity,location in bed and flow condition.By virtue of the concept of the equivalent grain size,it is shown that d_ηfollows a normal distribution following a regression analysis of measured data.Consid- ering the influence of pebble shape and the relative exposure degree,formula of calculating the incipient veloc- ity for pebbles is deduced based on the equivalent grain size of pebble and the...展开更多
基金supported by the National Natural Science Foundation of China(Nos.12175231 and 11805131),Anhui Natural Science Foundation of China(No.2108085J05)Projects of International Cooperation and Exchanges NSFC(No.51111140389)the Collaborative Innovation Program of the Hefei Science Center,CAS(Nos.2021HSC-CIP020 and 2022HSCCIP009).
文摘Ferritic/martensitic(F/M)steel is widely used as a structural material in thermal and nuclear power plants.However,it is susceptible to intergranular damage,which is a critical issue,under service conditions.In this study,to improve the resistance to intergranular damage of F/M steel,a thermomechanical process(TMP)was employed to achieve a grain boundary engineering(GBE)microstructure in F/M steel P92.The TMP,including cold-rolling thickness reduction of 6%,9%,and 12%,followed by austenitization at 1323 K for 40 min and tempering at 1053 K for 45 min,was applied to the as-received(AR)P92 steel.The prior austenite grain(PAG)size,prior austenite grain boundary character distribution(GBCD),and connectivity of prior austenite grain boundaries(PAGBs)were investigated.Compared to the AR specimen,the PAG size did not change significantly.The fraction of coincident site lattice boundaries(CSLBs,3≤Σ≤29)and Σ3^(n) boundaries along PAGBs decreased with increasing reduction ratio because the recrystallization fraction increased with increasing reduction ratio.The PAGB connectivity of the 6%deformed specimen slightly deteriorated compared with that of the AR specimen.Moreover,potentiodynamic polarization studies revealed that the intergranular damage resistance of the studied steel could be improved by increasing the fraction of CSLBs along the PAGBs,indicating that the TMP,which involves low deformation,could enhance the intergranular damage resistance.
基金supported in part by the Natural Science Foundation of Shandong Province,China (Grant No.ZR2023ME073)the National Natural Science Foundation of China (Grant No.51805304)+1 种基金the Education Department of Shandong Province,China (Grant No.2022KJ130)Qilu University of Technology (Shandong Academy of Sciences),China (Grant Nos.2023PY009,2021JC02008 and 2022GH005)。
文摘Quantitative relationship between nanosecond pulsed laser parameters and the characteristics of laser-generated ultrasonic waves in polycrystalline materials was evaluated.The high energy of the pulsed laser with a large irradiation spot simultaneously generated ultrasonic longitudinal and shear waves at the epicenter under the slight ablation regime.An optimized denoising technique based on wavelet thresholding and variational mode decomposition was applied to reduce noise in shear waves with a low signal-to-noise ratio.An approach for characterizing grain size was proposed using spectral central frequency ratio(SCFR)based on time-frequency analysis.The results demonstrate that the generation regime of ultrasonic waves is not solely determined by the laser power density;even at high power densities,a high energy with a large spot can generate an ultrasonic waveform dominated by the thermoelastic effect.This is ascribed to the intensification of the thermoelastic effect with the proportional increase in laser irradiation spot area for a given laser power density.Furthermore,both longitudinal and shear wave SCFRs are linearly related to grain size in polycrystalline materials;however,the shear wave SCFR is more sensitive to finer-grained materials.This study holds great significance for evaluating metal material properties using laser ultrasound.
基金supported by the National Natural Science Foundation of China (52374299,52304320 and 52204306)the Outstanding Youth Foundation of Hunan Province (2023JJ10044)+1 种基金the Key Project of Hunan Provincial Department of Education (22A0211)the Natural Science Foundation of Hunan Province (2023JJ40014)。
文摘Introducing high-valence Ta element is an essential strategy for addressing the structu ral deterioration of the Ni-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM)cathode,but the enlarged Li/Ni cation mixing leads to the inferior rate capability originating from the hindered Li~+migration.Note that the non-magnetic Ti~(4+)ion can suppress Li/Ni disorder by removing the magnetic frustration in the transition metal layer.However,it is still challenging to directionally design expected Ta/Ti dual-modification,resulting from the complexity of the elemental distribution and the uncertainty of in-situ formed coating compounds by introducing foreign elements.Herein,a LiTaO_3 grain boundary(GB)coating and bulk Ti-doping have been successfully achieved in LiNi_(0.834)Co_(0.11)Mn_(0.056)O_(2) cathode by thermodynamic guidance,in which the structural formation energy and interfacial binding energy are employed to predict the elemental diffusion discrepancy and thermodynamically stable coating compounds.Thanks to the coupling effect of strengthened structural/interfacial stability and improved Li~+diffusion kinetics by simultaneous bulk/GB engineering,the Ta/Ti-NCM cathode exhibits outstanding capacity retention,reaching 91.1%after 400 cycles at 1 C.This elaborate work contributes valuable insights into rational dual-modification engineering from a thermodynamic perspective for maximizing the electrochemical performances of NCM cathodes.
基金supported by National Key Research and Development Program of China(No.2021YFB3400800)National Natural Science Foundation of China(Grant No.52271136,51901177)Natural Science Foundation of Shaanxi Province(No.2021JC-06,2019TD-020).
文摘Grain boundaries(GBs)play a crucial role on the structural stability and mechanical properties of Cu and its alloys.In this work,molecular dynamics(MD)simulations are employed to study the effects of Fe solutes on the formation energy,excess volume,dislocations and melting behaviors of GBs in CuFe alloys.It is illustrated that Fe solute affects the structural stability of Cu GBs substantially,the formation energy of GBs is reduced,but the thickness and melting point of GBs are increased,that is,the structural stability of Cu GBs is significantly improved owing to the Fe solutes.A strong scaling law exists between the formation energy,excess volume,thickness and melting point of GBs.Therefore,Fe solid solute plays an important role in the characteristics of GBs in bi-crystal Cu.
基金supported by the National Natural Science Foundation of China(Nos.12175231 and 11805131)Anhui Natural Science Foundation of China(No.2108085J05)+1 种基金the National Key Research and Development Plan of China(No.2018YFE0307101)the Collaborative Innovation Program of the Hefei Science Center,CAS(Nos.2021HSC-CIP020 and 2022HSC-CIP009)。
文摘The helium bubbles induced by 14 MeV neutron irradiation can cause intergranular fractures in reduced activation ferritic martensitic steel,which is a candidate structural material for fusion reactors.In order to elucidate the susceptibility of different grain boundaries(GBs)to helium-induced embrittlement,the tensile fracture processes of 10 types of GBs with and without helium bubbles in body-centered cubic(bcc)iron at the relevant service temperature of 600 K were investigated via molecular dynamics methods.The results indicate that in the absence of helium bubbles,the GBs studied here can be classified into two distinct categories:brittle GBs and ductile GBs.The atomic scale analysis shows that the plastic deformation of ductile GB at high temperatures originates from complex plastic deformation mechanisms,including the Bain/Burgers path phase transition and deformation twinning,in which the Bain path phase transition is the most dominant plastic deformation mechanism.However,the presence of helium bubbles severely inhibits the plastic deformation channels of the GBs,resulting in a significant decrease in elongation at fractures.For bubble-decorated GBs,the ultimate tensile strength increases with the increase in the misorientation angle.Interestingly,the coherent twin boundary∑3{112}was found to maintain relatively high fracture strength and maximum failure strain under the influence of helium bubbles.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.U2167217,12205286,and 11905025)the National MCF Energy Research and Development Program of China (Grant No.2018YFE0308105)。
文摘Numerous irradiation-induced gas bubbles are created in the nuclear fuel during irradiation, leading to the change of microstructure and the degradation of mechanical and thermal properties. The grain size of fuel is one of the important factors affecting bubble evolution. In current study, we first predict the thermodynamic behaviors of point defects as well as the interplay between vacancy and gas atom in both UO_(2) and U_(3)Si_(2) according to ab initio approach. Then, we establish the irradiation-induced bubble phase-field model to investigate the formation and evolution of intra-and inter-granular gas bubbles. The effects of fission rate and temperature on the evolutions of bubble morphologies in UO_(2) and U_(3)Si_(2) have been revealed. Especially, a comparison of porosities under different grain sizes is examined and analyzed. To understand the thermal conductivity as functions of grain size and porosity, the heat transfer capability of U_(3)Si_(2) is evaluated.
基金supported by the Hainan Province Science and Technology Special Fund(ZDYF2024SHFZ074,ZDYF2024SHFZ072,ZDYF2022SHFZ299)the National Natural Science Foundation of China(22109035,22202053,52164028,52274297,22309037)+4 种基金the Start-up Research Foundation of Hainan University(KYQD(ZR)-20008,20083,20084,21125,23035)the collaborative Innovation Center of Marine Science and Technology,Hainan University(XTCX2022HYC04,XTCX2022HYC05)the Innovative Research Projects for Graduate Students of Hainan Province(Qhyb2022-89,Qhyb2022-87,Qhys2022-174)the Scientific Research Program Funded by Shaanxi Provincial Education Department(Program No.23JK0439)the specific research fund of The Innovation Platform for Academicians of Hainan Province(YSPTZX202315)。
文摘Bismuth-based catalysts are highly promising for the electrochemical carbon dioxide reduction reaction(eCO_(2)RR)to formate product.However,achieving high activity and selectivity towards formate and ensuring long-term stability remains challenging.This work reports the oxygen plasma inducing strategy to construct the abundant grain boundaries of Bi/BiO_x on ultrathin two-dimensional Bi nanosheets.The oxygen plasma-treated Bi nanosheet(OP-Bi)exhibits over 90%Faradaic efficiency(FE)for formate at a wide potential range from-0.5 to-1.1 V,and maintains a great stability catalytic performance without significant decay over 30 h in flow cell.Moreover,membrane electrode assembly(MEA)device with OPBi as catalyst sustains the robust current density of 100 mA cm^(-2)over 50 h,maintaining a formate FE above 90%.In addition,rechargeable Zn-CO_(2)battery presents the peak power density of1.22 mW cm^(-2)with OP-Bi as bifunctional catalyst.The mechanism experiments demonstrate that the high-density grain boundaries of OP-Bi provide more exposed active sites,faster electron transfer capacity,and the stronger intrinsic activity of Bi atoms.In situ spectroscopy and theo retical calculations further elucidate that the unsaturated Bi coordination atoms between the grain boundaries can effectively activate CO_(2)molecules through elongating the C-O bond,and reducing the formation energy barrier of the key intermediate(^(*)OCOH),thereby enhancing the catalytic performance of eCO_(2)RR to formate product.
基金supported by National Natural Science Foundation of China (52070194,52073309)Natural Science Foundation of Hunan Province (2022JJ20069)。
文摘Generally,layered Ni-rich cathode materials exhibit the morphology of polycrystalline secondary sphere composed of numerous primary particles.While the arrangement of primary particles plays a very important role in the properties of Ni-rich cathodes.The disordered particle arrangement is harmful to the cyclic performance and structural stability,yet the fundamental understanding of disordered structure on the structural degradation behavior is unclarified.Herein,we have designed three kinds of LiNi_(0.83)Co_(0.06)Mn_(0.11)O_(2) cathode materials with different primary particle orientations by regulating the precursor coprecipitation process.Combining finite element simulation and in-situ characterization,the Li^(+)transport and structure evolution behaviors of different materials are unraveled.Specifically,the smooth Li^(+)diffusion minimizes the reaction heterogeneity,homogenizes the phase transition within grains,and mitigates the anisotropic microstructural change,thereby modulating the crack evolution behavior.Meanwhile,the optimized structure evolution ensures radial tight junctions of the primary particles,enabling enhanced Li^(+)diffusion during dynamic processes.Closed-loop bidirectional enhancement mechanism becomes critical for grain orientation regulation to stabilize the cyclic performance.This precursor engineering with particle orientation regulation provides the useful guidance for the structural design and feature enhancement of Ni-rich layered cathodes.
文摘Experimental study has been conducted for an interstitial free(IF) sheet steel on its surface roughness evolution and formability with respect to grain size and sheet thickness effect. The surface roughness of IF sheet steel is proportional to effective strain, grain size and inversely proportional to sheet thickness; the larger grain reduces the formability by accelerating the surface roughening rate and enhance formability by raising the workhardening rate, while the latter effect plays the dominate role. The grain size effect on surface roughening and formability is more obvious when the sheets are thinner.
基金Project supported by the National Key Research and Development Program of China(Grant No.2016YFB0701204)the 111 Project,China(Grant No.B20029)+2 种基金the Fundamental Research Funds for the Central Universities,China(Grant Nos.N2002017 and N2007011)the National Natural Science Foundation of China(Grant No.51571055)the Science Fund from the Science and Technology Bureau of Jiangyin High-Tech Industrial Development Zone,China(Grant No.ZX20200062)。
文摘A three-dimensional(3D)multiple phase field model,which takes into account the grain boundary(GB)energy anisotropy caused by texture,is established based on real grain orientations and Read-Shockley model.The model is applied to the grain growth process of polycrystalline Mg(ZK60)alloy to investigate the evolution characteristics in different systems with varying proportions of low-angle grain boundary(LAGB)caused by different texture levels.It is found that the GB energy anisotropy can cause the grain growth kinetics to change,namely,higher texture levels(also means higher LAGB proportion)result in lower kinetics,and vice versa.The simulation results also show that the topological characteristics,such as LAGB proportion and distribution of grain size,undergo different evolution characteristics in different systems,and a more serious grain size fluctuation can be caused by a higher texture level.The mechanism is mainly the slower evolution of textured grains in their accumulation area and the faster coarsening rate of non-textured grains.Therefore,weakening the texture level is an effective way for implementing a desired homogenized microstructure in ZK60 Mg alloy.The rules revealed by the simulation results should be of great significance for revealing how the GB anisotropy affects the evolution of polycrystalline during the grain growth after recrystallization and offer the ideas for processing the alloy and optimizing the microstructure.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 1117221 and 11072119)the Defense Industrial Technology Development Program and the Fundamental Research Funds for the Central Universities (Grant Nos. B1520110003 and 2012-Ia-004)
文摘Plate-impact experiments have been carried out to examine the effect of grain size and grain arrangement on the damage evolution of ultrapure aluminum. Two groups of samples, ＂cross-cut＂ and ＂longitudinal-cut,＂ are obtained from the rolled aluminum rod along different directions. The peak compressive stress is approximately 1.25 GPa–1.61 GPa, which can cause incipient spall damage that is correlated to the material microstructure. The metallographic analyses of all recovered samples show that nearly all damage nucleates at the grain boundaries, especially those with larger curvature. Moreover, under lower shock stress, the spall strength of the ＂longitudinal-cut＂ sample is smaller than that of the ＂crosscut＂ sample, because the different grain sizes and arrangement of the two samples cause different nucleation, growth, and coalescence processes. In this study, the difference in the damage distribution between ＂longitudinal-cut＂ and ＂cross-cut＂ samples and the causes for this difference under lower shock-loading conditions are also analyzed by both qualitative and semi-quantitative methods. It is very important for these conclusions to establish a reasonable and perfect equation of damage evolution for ductile metals.
文摘Molecular dynamics simulations are carried out to investigate the mechanisms of low-temperature impact toughness of the ultrafine grain structure steel. The simulation results suggest that the sliding of the {001 }/{ 110} type and { 110}/{ 111 } type grain boundary can improve the impact toughness. Then, the mechanism of grain boundary sliding is studied and it is found that the motion of dislocations along the grain boundary is the underlying cause of the grain boundary sliding. Finally, the sliding of the grain boundary is analyzed from the standpoint of the energy. We conclude that the measures which can increase the quantity of the {001}/{110} type and {110}/{ 111} type grain boundary and elongate the free gliding distance of dislocations along these grain boundaries will improve the low-temperature impact toughness of the ultrafine grain structure steel.
基金financial support received from the National Key Research and Development Program of China(Grant no.2017YFB0702003)the National Natural Science Foundation of China(Grant no.51471165).
文摘This work outlines an experimental investigation of grain-size-dependent structure evolution under tension in nickel with a grain size gradient.Two opposite and competing processes,grain refinement and coarsening,were examined within one specimen,due to the widely ranging grain size in gradient-structured(GS)Ni.A tensioninduced minimum grain size of approximately 280 nm was determined in GS Ni,which is comparable to those obtained by severe plastic deformation processes.The minimum grain size was phenomenologically explained using a dislocation model.Below the minimum grain size,the Ni’s grain coarsening ability peaked at approximately 50 nm and progressively decreased with decreasing grain size,showing an inverse grain-size-dependent coarsening tendency.Moreover,this inverse grain coarsening behavior was related to a transition in the deformation mechanism,through which the deformation process was accommodated more by partial dislocation than by full dislocation below a critical grain size.This was confirmed by observation of the microstructure and low temperature tensile testing results.This work demonstrates a high-throughput strategy for exploring the minimum grain size and grain-size-dependent coarsening in metals.
文摘Describes a new computer program (Regress-3D) to simulate the regression of complex 3D grain cavity and calculate the burning surface area. It has a large region of applicability in solid rocket motor design and has made new improvements compared with other available codes. User can easily and rapidly build his initial grain shapes and then obtain geometric information of his design. Considering with the calclulting results, redesigning can be performed as desire until reaching at the satisfied result. Advantages and disadvantages of this method are also discussed.
基金Supported by 973 Program(2003CB415202)the Doctoral Course Founadtion of Higher Education of China(20020610098).
文摘Incipient motion of pebbles is an unsteady and random process,the main influence factors are pebble shape,non-uniformity,location in bed and flow condition.By virtue of the concept of the equivalent grain size,it is shown that d_ηfollows a normal distribution following a regression analysis of measured data.Consid- ering the influence of pebble shape and the relative exposure degree,formula of calculating the incipient veloc- ity for pebbles is deduced based on the equivalent grain size of pebble and the...
