The deformation mechanisms and dynamic recrystallization(DRX)behavior of specifically grown bicrystals with a symmetric 90°<1010>and 90°<1120>tilt grain boundary,respectively,were investigated un...The deformation mechanisms and dynamic recrystallization(DRX)behavior of specifically grown bicrystals with a symmetric 90°<1010>and 90°<1120>tilt grain boundary,respectively,were investigated under deformation in plane strain compression at 200℃and 400℃.The microstructures were analyzed by panoramic optical microscopy and large-area electron backscatter diffraction(EBSD)orientation mapping.The analysis employed a meticulous approach utilizing hundreds of individual,small EBSD maps with a small step size that were stitched together to provide comprehensive access to orientation and misorientation data on a macroscopic scale.Basal slip primarily governed the early stages of deformation at the two temperatures,and the resulting shear induced lattice rotation around the transverse direction(TD)of the sample.The existence of the grain boundary gave rise to dislocation pile-up in its vicinity,leading to much larger TD-lattice rotations within the boundary region compared to the bulk.With increasing temperature,the deformation was generally more uniform towards the bulk due to enhanced dislocation mobility and more uniform stress distribution.Dynamic recrystallization at 200℃was initiated in{1011}-compression twins at strains of 40%and higher.At 400℃,DRX consumed the entire grain boundary region and gradually replaced the deformed microstructure with progressing deformation.The recrystallized grains displayed characteristic orientations,such that their c-axes were perpendicular to the TD and additionally scattered between 0°and 60°from the loading axis.These recrystallized grains displayed mutual rotations of up to 30°around the c-axes of the initial grains,forming a discernible basal fiber texture component,prominently visible in the{1120}pole figure.It is noteworthy that the deformation and DRX behaviors of the two analyzed bicrystals exhibited marginal variations in response to strain and deformation temperature.展开更多
Grain boundaries play a significant role in the deformation of polycrystals.Their response to deformation is however not completely understood,particularly with respect to how they accommodate lattice rotation of adjo...Grain boundaries play a significant role in the deformation of polycrystals.Their response to deformation is however not completely understood,particularly with respect to how they accommodate lattice rotation of adjoining crystallites by changing their structure and geometry.The current study thus investigates the deformation behaviour of Mg bicrystals with 90°<1120>symmetric tilt boundary strained in plane-strain compression up to different final strains.Due to the initial soft orientation of the two crystals,activation of basal slip in each crystal gave rise to lattice rotation around the transverse direction towards the compression direction of the channel-die.Hundreds of single EBSD maps with a small step size were obtained from the GB region and stitched together to produce large panoramic maps of a macroscopic scale.Although very time-consuming,this technique has proven useful in clarifying the origin of the non-uniform deformation zones in the vicinity of the grain boundary and explains the mechanisms,by which the grain boundary was able to cope with the imposed strain before fracture.Interestingly,several variants of extension twins were observed as an additional deformation mechanism despite having negative Schmid factors.Systematic investigation of their resulting combined shear components with respect to the sample coordinate system revealed an alignment along the longitudinal direction of the channel-die,therefore justifying their nucleation.展开更多
Based on the experimental results of the work-hardening processes of single crystals,the ac- commodation processes of polycrvstal deformation and the assumption of idealized polycrystal,the stress-strain relation of e...Based on the experimental results of the work-hardening processes of single crystals,the ac- commodation processes of polycrvstal deformation and the assumption of idealized polycrystal,the stress-strain relation of elasto-plastic deformation crystal was derived.The effect of orientation difference on the mechanical properties of the bicrvstalline specimens of aluminum was simulated by means of the finite element method(FEM)of elasto-plastic crystal.The results are in good agreement with the experimental results made by Clark and Chalmers in 1954.展开更多
The rate dependent crystallographic finite element program was implemented in ABAQUS as a UMAT for the analysis of the stress distributions near grain boundary in anisotropic bicrystals and tricrystals, taking the dif...The rate dependent crystallographic finite element program was implemented in ABAQUS as a UMAT for the analysis of the stress distributions near grain boundary in anisotropic bicrystals and tricrystals, taking the different crystallographic orientations into consideration. The numerical results of bicrystals model with the different crystallographic orientations shows that there is a high stress gradient near the grain boundaries. The characteristics of stress structures are dependent on the crystallographic orientations of the two grains. The existing of triple junctions in the tricrystals may result in the stress concentrations,or may not, depending on the crystallographic orientations of the three grains. The conclusion shows that grain boundary with different crystallographic orientations can have different deformation, damage, and failure behaviors. So it is only on the detail study of the stress distribution can the metal fracture be understood deeply.展开更多
The critical current density behaviors across a bicrystal grain boundary（GB） inclined to the current direction with different angles in YBa2Cu3O7-δ bicrystal junctions in magnetic fields are investigated.There are...The critical current density behaviors across a bicrystal grain boundary（GB） inclined to the current direction with different angles in YBa2Cu3O7-δ bicrystal junctions in magnetic fields are investigated.There are two main reasons for the difference in critical current density in junctions at different GB inclined angles in the same magnetic field：（i） the GB plane area determines the current carrying cross section;（ii） the vortex motion dynamics at the GB affects the critical current value when the vortex starts to move along the GB by Lorentz force.Furthermore,the vortex motion in a bicrystal GB is studied by investigating transverse（Hall） and longitudinal current–voltage characteristics（I–Vxx and I–Vxy）.It is found that the I–Vxx curve diverges from linearity at a high driving current,while the I–Vxy curve keeps nearly linear,which indicates the vortices inside the GB break out of the GB by Lorentz force.展开更多
The influence of the grain boundary on the fatigue behavior was studied by two three-point-bending (TPB) specimens. One TPB specimen was named Bicrystal 1, whose pre-crack was along the grain boundary and the applied ...The influence of the grain boundary on the fatigue behavior was studied by two three-point-bending (TPB) specimens. One TPB specimen was named Bicrystal 1, whose pre-crack was along the grain boundary and the applied load paralleled to pre-crack direction, while the other TPB specimen was named Bicrystal 2, whose the pre-crack was perpendicular to the grain boundary and the applied load paralleled also to the pre-crack. It was found that the rate of the fatigue crack growth of Bicrystal 1 was about a tenfold higher than that of Bicrystal 2. The fatigue behavior of Bicrystal 2 specimens was dependent on the distance between the crack tip and grain boundary. The crack growth rate was highest when the crack tip was at a critical distance to the grain boundary, while the rate was the lowest when the crack tip reached grain boundary. After the crack was over the grain boundary, the crack growth rate increased. The crystallographic finite element method was applied to analyze the stress and strain structure ahead of the crack, in order to reveal the above characteristics of the fatigue behavior. It is the grain boundary-induced redistribution of stresses near the crack tip that induces the difference of fatigue behavior.展开更多
Using the Maxwell＇s equations, we carry out theoretical analysis on the maximum incident and refractive angles at which negative refraction can be realized at the interfaces associated with conventional uniaxial medi...Using the Maxwell＇s equations, we carry out theoretical analysis on the maximum incident and refractive angles at which negative refraction can be realized at the interfaces associated with conventional uniaxial media. In the numerical analysis, the largest incident and refractive angles at which refraction arises are obtained by optimizing directions of the optical axis of the uniaxial bicrystal. Meanwhile, the optical parameters of the ordinary uniaxial bicrystals （including homogeneity- junction and heterogeneity-junction） are given, and some representative laser wavelengths, the largest incident and refractive angles are obtained. The relation between the largest incident angles （or refractive angles） and refractive index is also discussed.展开更多
Nickel-based single-crystal superalloys are widely used in the manufacture of aeroengine turbine vanes for their excellent high-temperature performance. Low-angle grain boundaries (LAGBs) will be generated inevitably ...Nickel-based single-crystal superalloys are widely used in the manufacture of aeroengine turbine vanes for their excellent high-temperature performance. Low-angle grain boundaries (LAGBs) will be generated inevitably during their manufacture, which are often characterized by grain boundary misorientation (GBM) and will weaken the mechanical properties of superalloys. However, the relationship between GBM and the fatigue properties of superalloys at elevated temperatures has seldom been investigated due to the difficulty in the sample preparation and experiment process. Based on six kinds of bicrystals with different tilt LAGBs made by a second-generation single-crystal superalloy, the effects of misorientation on the grain boundary microstructure and fatigue properties (980 °C) of superalloys were studied systematically in this work. It is found that, with the increase of GBM, the GB precipitates combined with the cast micropores increase monotonically, accordingly both the fatigue life and fatigue strength decrease successively. Fatigue fracture observations show that the cracks of all the bicrystals initiated from the cast micropores at GBs, and then propagated along the GBs. Therefore, the coupling effect of cast micropores and GBM on the fatigue damage mechanisms of the bicrystals are evaluated according to their hindering degrees on the piled-up dislocations. Combining with a hysteresis energy model, a quantitative fatigue strength prediction model of superalloys is established and is well verified by abundant experimental data. This study could provide guidance for fatigue performance prediction and structural design of superalloys.展开更多
Cu bicrystals of different sizes with a sole twin boundary（TB） inclined at 45？with respect to the loading direction were deformed under unidirectional and cyclic loading, respectively. It is found that the slip ba...Cu bicrystals of different sizes with a sole twin boundary（TB） inclined at 45？with respect to the loading direction were deformed under unidirectional and cyclic loading, respectively. It is found that the slip bands（SBs） parallel to the TB can be activated near the TB at all scales without obeying the Schmid＇s law.It is concerned with the local stress enhancement in the macroscale while it is more closely related to the scarce dislocation sources in the microscale. Moreover, a wedge-shaped zone formed near the TB in the microscale ascribed to the limited specimen size.展开更多
In the chemical vapor deposition growth of large-area graphene polycrystalline thin films, the coalescence of randomly oriented graphene domains results in a high density of uncertain grain boundaries （GBs）. The str...In the chemical vapor deposition growth of large-area graphene polycrystalline thin films, the coalescence of randomly oriented graphene domains results in a high density of uncertain grain boundaries （GBs）. The structures and properties of various GBs are highly dependent on the misorientation angles between the graphene domains, which can significantly affect the performance of the graphene films and impede their industrial applications. Graphene bicrystals with a specific type of GB can be synthesized via the controllable growth of graphene domains with a predefined lattice orientation. Although the bicrystal has been widely investigated for traditional bulk materials, no successful synthesis strategy has been presented for growing two-dimensional graphene bicrystals. In this stud34 we demonstrate a simple approach for growing well-aligned large-domain graphene bicrystals with a confined tilt angle of 30° on a facilely recrystallized single-crystal Cu （100） substrate. Control of the density of the GBs with a miso- rientation angle of 30° was realized via the controllable rapid growth of sub- centimeter graphene domains with the assistance of a cooperative catalytic surface-passivation treatment. The large-area production of graphene bicrystals consisting of the sole specific GBs with a tunable density provides a new material platform for fundamental studies and practical applications.展开更多
Grain-boundary（GB） structures are commonly imaged as discrete atomic columns, yet the chemical modifications are gradual and extend into the adjacent lattices, notably the space charge, hence the two-dimensional def...Grain-boundary（GB） structures are commonly imaged as discrete atomic columns, yet the chemical modifications are gradual and extend into the adjacent lattices, notably the space charge, hence the two-dimensional defects may also be treated as continuum changes to extended interfacial structure. This review presents a spatially-resolved analysis by electron energy-loss spectroscopy of the GB chemical structures in a series of SrTiO3 bicrystals and a ceramic, using analytical electron microscopy of the pre-Cs-correction era. It has identified and separated a transient layer at the model Σ5 grain-boundaries（GBs） with characteristic chemical bonding, extending the continuum interfacial approach to redefine the GB chemical structure. This GB layer has evolved under segregation of iron dopant, starting from subtle changes in local bonds until a clear transition into a distinctive GB chemistry with substantially increased titanium concentration confined within the GB layer in 3-unit cells, heavily strained, and with less strontium. Similar segregated GB layer turns into a titania-based amorphous film in SrTiO3 ceramic, hence reaching a more stable chemical structure in equilibrium with the intergranular Ti2O3 glass also. Space charge was not found by acceptor doping in both the strained Σ5 and amorphous GBs in SrTiO3 owing to the native transient nature of the GB layer that facilitates the transitions induced by Fe segregation into novel chemical structures subject to local and global equilibria. These GB transitions may add a new dimension into the structure–property relationship of the electronic materials.展开更多
A three dimensional rate-dependent crystal plasticity model is applied to study the influence of crystal orientation and grain boundary on the void growth and coalescence. The 3D computational model is a unit cell inc...A three dimensional rate-dependent crystal plasticity model is applied to study the influence of crystal orientation and grain boundary on the void growth and coalescence. The 3D computational model is a unit cell including one sphere void or two sphere voids. The results of three different orientations for single crystal and bicrystals are compared. It is found that crystallographic orientation has noticeable influences on the void growth directionvoid shape, and void coalescence of single crystal. The void growth rate of bicrystals depends on the crystallographic orientations and grain boundary direction.展开更多
The stress characteristics in the anisotropic bicrystal and tricrystal specimens were analyzed using the anisotropic elastic model, orthotropic Hill's model and rate-dependent crystallographic model. The finite el...The stress characteristics in the anisotropic bicrystal and tricrystal specimens were analyzed using the anisotropic elastic model, orthotropic Hill's model and rate-dependent crystallographic model. The finite element analysis results show that non-uniform stresses are induced by the grain boundary. For bicrystal specimens in different crystallographic orientations, there exist stress concentrations and high stress gradients nearby the boundaries. The activation and slipping of the slip systems are dependent on the crystallographic orientations of the grains and also on the relative crystallographic orientations of the two adjoining grains. For the tricrystal specimens, there is not always any stress concentrations in the triple junction, and the concentration degree depends on the relative crystallographic orientations of the three grains. Different from the bicrystal specimens, there may be or no stress concentration in the vicinity of grain boundaries for the tricrystal specimens, which depends on the relative crystallographic orientations of the three grains. The stress concentration near to the grain boundaries and triple junction can be high enough for the local plastic deformation, damage and voiding or cracking even when the whole specimen is still under the elastic state. It can be further concluded that homogeneous assumption for polycrystalline materials is not suitable to study the detailed meso- or micro-mechanisms for damaging and fracturing.展开更多
Molecular dynamics simulations using embedded atom method (EAM) potential were performed to study nano-void growth and coalescence at grain boundary in face-centered cubic bicrystal copper. Thin-plate specimens subjec...Molecular dynamics simulations using embedded atom method (EAM) potential were performed to study nano-void growth and coalescence at grain boundary in face-centered cubic bicrystal copper. Thin-plate specimens subjected to uniaxial tension strain with one-void and two-void at the centered grain boundary were employed to analyze the effect of specimen size, temperature and applied strain rate on the stress-strain response, incipient yield strength and macroscopic effective Young's modulus. The evolutions of dislocations, twin bands and void shapes under different specimen sizes were also presented. The obtained results show that, regardless of the void numbers, the specimen sizes, temperature, the applied strain rate had significant influence on the void shape evolution, stress-strain curve and incipient yield strength, while negligible effects on the macroscopic effective Young's modulus except for the temperature. Moreover, the voids growth rate along the grain boundary was also found to be associated with the specimen sizes.展开更多
基金the Deutsche Forschungsgemeinschaft(DFG)for financial support(MO 848/18-2)。
文摘The deformation mechanisms and dynamic recrystallization(DRX)behavior of specifically grown bicrystals with a symmetric 90°<1010>and 90°<1120>tilt grain boundary,respectively,were investigated under deformation in plane strain compression at 200℃and 400℃.The microstructures were analyzed by panoramic optical microscopy and large-area electron backscatter diffraction(EBSD)orientation mapping.The analysis employed a meticulous approach utilizing hundreds of individual,small EBSD maps with a small step size that were stitched together to provide comprehensive access to orientation and misorientation data on a macroscopic scale.Basal slip primarily governed the early stages of deformation at the two temperatures,and the resulting shear induced lattice rotation around the transverse direction(TD)of the sample.The existence of the grain boundary gave rise to dislocation pile-up in its vicinity,leading to much larger TD-lattice rotations within the boundary region compared to the bulk.With increasing temperature,the deformation was generally more uniform towards the bulk due to enhanced dislocation mobility and more uniform stress distribution.Dynamic recrystallization at 200℃was initiated in{1011}-compression twins at strains of 40%and higher.At 400℃,DRX consumed the entire grain boundary region and gradually replaced the deformed microstructure with progressing deformation.The recrystallized grains displayed characteristic orientations,such that their c-axes were perpendicular to the TD and additionally scattered between 0°and 60°from the loading axis.These recrystallized grains displayed mutual rotations of up to 30°around the c-axes of the initial grains,forming a discernible basal fiber texture component,prominently visible in the{1120}pole figure.It is noteworthy that the deformation and DRX behaviors of the two analyzed bicrystals exhibited marginal variations in response to strain and deformation temperature.
基金The authors express their gratitude to the Deutsche Forschungsgemeinschaft(DFG)for financial support(MO 848/18-2)。
文摘Grain boundaries play a significant role in the deformation of polycrystals.Their response to deformation is however not completely understood,particularly with respect to how they accommodate lattice rotation of adjoining crystallites by changing their structure and geometry.The current study thus investigates the deformation behaviour of Mg bicrystals with 90°<1120>symmetric tilt boundary strained in plane-strain compression up to different final strains.Due to the initial soft orientation of the two crystals,activation of basal slip in each crystal gave rise to lattice rotation around the transverse direction towards the compression direction of the channel-die.Hundreds of single EBSD maps with a small step size were obtained from the GB region and stitched together to produce large panoramic maps of a macroscopic scale.Although very time-consuming,this technique has proven useful in clarifying the origin of the non-uniform deformation zones in the vicinity of the grain boundary and explains the mechanisms,by which the grain boundary was able to cope with the imposed strain before fracture.Interestingly,several variants of extension twins were observed as an additional deformation mechanism despite having negative Schmid factors.Systematic investigation of their resulting combined shear components with respect to the sample coordinate system revealed an alignment along the longitudinal direction of the channel-die,therefore justifying their nucleation.
文摘Based on the experimental results of the work-hardening processes of single crystals,the ac- commodation processes of polycrvstal deformation and the assumption of idealized polycrystal,the stress-strain relation of elasto-plastic deformation crystal was derived.The effect of orientation difference on the mechanical properties of the bicrvstalline specimens of aluminum was simulated by means of the finite element method(FEM)of elasto-plastic crystal.The results are in good agreement with the experimental results made by Clark and Chalmers in 1954.
文摘The rate dependent crystallographic finite element program was implemented in ABAQUS as a UMAT for the analysis of the stress distributions near grain boundary in anisotropic bicrystals and tricrystals, taking the different crystallographic orientations into consideration. The numerical results of bicrystals model with the different crystallographic orientations shows that there is a high stress gradient near the grain boundaries. The characteristics of stress structures are dependent on the crystallographic orientations of the two grains. The existing of triple junctions in the tricrystals may result in the stress concentrations,or may not, depending on the crystallographic orientations of the three grains. The conclusion shows that grain boundary with different crystallographic orientations can have different deformation, damage, and failure behaviors. So it is only on the detail study of the stress distribution can the metal fracture be understood deeply.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61501222,61371036,and 61571219)the School Scientific Research Fund of Nanjing Institute of Technology,China(Grant Nos.YKJ201418)
文摘The critical current density behaviors across a bicrystal grain boundary（GB） inclined to the current direction with different angles in YBa2Cu3O7-δ bicrystal junctions in magnetic fields are investigated.There are two main reasons for the difference in critical current density in junctions at different GB inclined angles in the same magnetic field：（i） the GB plane area determines the current carrying cross section;（ii） the vortex motion dynamics at the GB affects the critical current value when the vortex starts to move along the GB by Lorentz force.Furthermore,the vortex motion in a bicrystal GB is studied by investigating transverse（Hall） and longitudinal current–voltage characteristics（I–Vxx and I–Vxy）.It is found that the I–Vxx curve diverges from linearity at a high driving current,while the I–Vxy curve keeps nearly linear,which indicates the vortices inside the GB break out of the GB by Lorentz force.
文摘The influence of the grain boundary on the fatigue behavior was studied by two three-point-bending (TPB) specimens. One TPB specimen was named Bicrystal 1, whose pre-crack was along the grain boundary and the applied load paralleled to pre-crack direction, while the other TPB specimen was named Bicrystal 2, whose the pre-crack was perpendicular to the grain boundary and the applied load paralleled also to the pre-crack. It was found that the rate of the fatigue crack growth of Bicrystal 1 was about a tenfold higher than that of Bicrystal 2. The fatigue behavior of Bicrystal 2 specimens was dependent on the distance between the crack tip and grain boundary. The crack growth rate was highest when the crack tip was at a critical distance to the grain boundary, while the rate was the lowest when the crack tip reached grain boundary. After the crack was over the grain boundary, the crack growth rate increased. The crystallographic finite element method was applied to analyze the stress and strain structure ahead of the crack, in order to reveal the above characteristics of the fatigue behavior. It is the grain boundary-induced redistribution of stresses near the crack tip that induces the difference of fatigue behavior.
基金supported by the National Natural Science Foundation of China （Grant Nos.60407007, 60377025） the Science Foundation of Shanghai Municipal Commission of Education （Grant No.A03Q23）, and the Shanghai Leading Academic Discipline Project （Grant No.T0104）
文摘Using the Maxwell＇s equations, we carry out theoretical analysis on the maximum incident and refractive angles at which negative refraction can be realized at the interfaces associated with conventional uniaxial media. In the numerical analysis, the largest incident and refractive angles at which refraction arises are obtained by optimizing directions of the optical axis of the uniaxial bicrystal. Meanwhile, the optical parameters of the ordinary uniaxial bicrystals （including homogeneity- junction and heterogeneity-junction） are given, and some representative laser wavelengths, the largest incident and refractive angles are obtained. The relation between the largest incident angles （or refractive angles） and refractive index is also discussed.
文摘Nickel-based single-crystal superalloys are widely used in the manufacture of aeroengine turbine vanes for their excellent high-temperature performance. Low-angle grain boundaries (LAGBs) will be generated inevitably during their manufacture, which are often characterized by grain boundary misorientation (GBM) and will weaken the mechanical properties of superalloys. However, the relationship between GBM and the fatigue properties of superalloys at elevated temperatures has seldom been investigated due to the difficulty in the sample preparation and experiment process. Based on six kinds of bicrystals with different tilt LAGBs made by a second-generation single-crystal superalloy, the effects of misorientation on the grain boundary microstructure and fatigue properties (980 °C) of superalloys were studied systematically in this work. It is found that, with the increase of GBM, the GB precipitates combined with the cast micropores increase monotonically, accordingly both the fatigue life and fatigue strength decrease successively. Fatigue fracture observations show that the cracks of all the bicrystals initiated from the cast micropores at GBs, and then propagated along the GBs. Therefore, the coupling effect of cast micropores and GBM on the fatigue damage mechanisms of the bicrystals are evaluated according to their hindering degrees on the piled-up dislocations. Combining with a hysteresis energy model, a quantitative fatigue strength prediction model of superalloys is established and is well verified by abundant experimental data. This study could provide guidance for fatigue performance prediction and structural design of superalloys.
基金supported by the National Natural Science Foundation of China (NSFC) under grant Nos. 51171194, 51501197, 51571198, 51471170the IMR SYNL-T.S. Kê Research Fellowship
文摘Cu bicrystals of different sizes with a sole twin boundary（TB） inclined at 45？with respect to the loading direction were deformed under unidirectional and cyclic loading, respectively. It is found that the slip bands（SBs） parallel to the TB can be activated near the TB at all scales without obeying the Schmid＇s law.It is concerned with the local stress enhancement in the macroscale while it is more closely related to the scarce dislocation sources in the microscale. Moreover, a wedge-shaped zone formed near the TB in the microscale ascribed to the limited specimen size.
基金Acknowledgements We acknowledge financial support from the National Natural Science Foundation of China （Nos. 21173004, 51520105003, 51432002, 21222303 and 51362029） and the National Basic Research Program of China （Nos. 2014CB932500, 2013CB932603, 2012CB933404, 2011CB933003, and 2011CB921904）, the National Program for Support of Top-Notch Young Professionals, and Beijing Municipal Science ＆ Technology Commission （No. Z161100002116002）.
文摘In the chemical vapor deposition growth of large-area graphene polycrystalline thin films, the coalescence of randomly oriented graphene domains results in a high density of uncertain grain boundaries （GBs）. The structures and properties of various GBs are highly dependent on the misorientation angles between the graphene domains, which can significantly affect the performance of the graphene films and impede their industrial applications. Graphene bicrystals with a specific type of GB can be synthesized via the controllable growth of graphene domains with a predefined lattice orientation. Although the bicrystal has been widely investigated for traditional bulk materials, no successful synthesis strategy has been presented for growing two-dimensional graphene bicrystals. In this stud34 we demonstrate a simple approach for growing well-aligned large-domain graphene bicrystals with a confined tilt angle of 30° on a facilely recrystallized single-crystal Cu （100） substrate. Control of the density of the GBs with a miso- rientation angle of 30° was realized via the controllable rapid growth of sub- centimeter graphene domains with the assistance of a cooperative catalytic surface-passivation treatment. The large-area production of graphene bicrystals consisting of the sole specific GBs with a tunable density provides a new material platform for fundamental studies and practical applications.
基金supported by the National Natural Science Foundation of China(Grant No.51532006)the Fund from Shanghai Municipal Science and Technology Commission(Grant No.16DZ2260600)+1 种基金the 111 Project of the Ministry of Educationthe Fund from the National Bureau of Foreign Experts(Project No.D16002)
文摘Grain-boundary（GB） structures are commonly imaged as discrete atomic columns, yet the chemical modifications are gradual and extend into the adjacent lattices, notably the space charge, hence the two-dimensional defects may also be treated as continuum changes to extended interfacial structure. This review presents a spatially-resolved analysis by electron energy-loss spectroscopy of the GB chemical structures in a series of SrTiO3 bicrystals and a ceramic, using analytical electron microscopy of the pre-Cs-correction era. It has identified and separated a transient layer at the model Σ5 grain-boundaries（GBs） with characteristic chemical bonding, extending the continuum interfacial approach to redefine the GB chemical structure. This GB layer has evolved under segregation of iron dopant, starting from subtle changes in local bonds until a clear transition into a distinctive GB chemistry with substantially increased titanium concentration confined within the GB layer in 3-unit cells, heavily strained, and with less strontium. Similar segregated GB layer turns into a titania-based amorphous film in SrTiO3 ceramic, hence reaching a more stable chemical structure in equilibrium with the intergranular Ti2O3 glass also. Space charge was not found by acceptor doping in both the strained Σ5 and amorphous GBs in SrTiO3 owing to the native transient nature of the GB layer that facilitates the transitions induced by Fe segregation into novel chemical structures subject to local and global equilibria. These GB transitions may add a new dimension into the structure–property relationship of the electronic materials.
基金supported by National Natural Science Foundation of China(No.50575143)the Research Fund for the Doctoral Program of Higher Educa-tion (No.20040248005)
文摘A three dimensional rate-dependent crystal plasticity model is applied to study the influence of crystal orientation and grain boundary on the void growth and coalescence. The 3D computational model is a unit cell including one sphere void or two sphere voids. The results of three different orientations for single crystal and bicrystals are compared. It is found that crystallographic orientation has noticeable influences on the void growth directionvoid shape, and void coalescence of single crystal. The void growth rate of bicrystals depends on the crystallographic orientations and grain boundary direction.
基金The work was financially supported by the National Natural Science Foundation of China(Grant No.50005016)the Chinese Aviation Research Foundation.
文摘The stress characteristics in the anisotropic bicrystal and tricrystal specimens were analyzed using the anisotropic elastic model, orthotropic Hill's model and rate-dependent crystallographic model. The finite element analysis results show that non-uniform stresses are induced by the grain boundary. For bicrystal specimens in different crystallographic orientations, there exist stress concentrations and high stress gradients nearby the boundaries. The activation and slipping of the slip systems are dependent on the crystallographic orientations of the grains and also on the relative crystallographic orientations of the two adjoining grains. For the tricrystal specimens, there is not always any stress concentrations in the triple junction, and the concentration degree depends on the relative crystallographic orientations of the three grains. Different from the bicrystal specimens, there may be or no stress concentration in the vicinity of grain boundaries for the tricrystal specimens, which depends on the relative crystallographic orientations of the three grains. The stress concentration near to the grain boundaries and triple junction can be high enough for the local plastic deformation, damage and voiding or cracking even when the whole specimen is still under the elastic state. It can be further concluded that homogeneous assumption for polycrystalline materials is not suitable to study the detailed meso- or micro-mechanisms for damaging and fracturing.
基金supported by the Open Foundation of State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology (Grant No. KFJJ11-0Y)the National Basic Research Program of China (Grant No. 2010CB631005)the National Natural Science Foundation of China (Grant Nos. 11172148 and 51071094)
文摘Molecular dynamics simulations using embedded atom method (EAM) potential were performed to study nano-void growth and coalescence at grain boundary in face-centered cubic bicrystal copper. Thin-plate specimens subjected to uniaxial tension strain with one-void and two-void at the centered grain boundary were employed to analyze the effect of specimen size, temperature and applied strain rate on the stress-strain response, incipient yield strength and macroscopic effective Young's modulus. The evolutions of dislocations, twin bands and void shapes under different specimen sizes were also presented. The obtained results show that, regardless of the void numbers, the specimen sizes, temperature, the applied strain rate had significant influence on the void shape evolution, stress-strain curve and incipient yield strength, while negligible effects on the macroscopic effective Young's modulus except for the temperature. Moreover, the voids growth rate along the grain boundary was also found to be associated with the specimen sizes.
