Molecular dynamics simulation of uniaxial tension along [001] has been performed to study the influence of various surface defects on the initiation of plastic deformation and fracture of γ-TiAl single crystals.The r...Molecular dynamics simulation of uniaxial tension along [001] has been performed to study the influence of various surface defects on the initiation of plastic deformation and fracture of γ-TiAl single crystals.The results indicate that brittle fracture occurs in perfect bulk; surfaces and edges will be detrimental to the strength of materials and provide dislocation nucleation site. The defects on surfaces and edges cause further weakening with various effects depending on defect type, size, position and orientation,while the edge dimples are the most influential. For γ-TiAl rods with surface dimples, dislocations nucleate from an edge of the rod when dimples are small, dimple dislocation nucleation occurs only when the dimples are larger than a strain rate dependent critical size. The dislocations nucleated upon [001]tension are super dislocations with Burger vectors 〈011] or 1/2 〈 112] containing four 1/6 〈 112 〉 partials. The effects of surface scratches are orientation and shape sensitive. Scratches parallel to the loading direction have little influence, while sharp ones perpendicular to the loading direction may cause crack and thus should be avoided. This simulation also shows that, any type of surface defect would lower strength,and cause crack in some cases. But some may facilitate dislocation nucleation and improve ductility of TiAl if well controlled.展开更多
A transmission electron microscopy （TEM） investigation has been performed on the dislocation pinning in Lie-ordered Ni3（Al, Ti） containing disordered γ precipitates.The morphology of deformation induced dislocati...A transmission electron microscopy （TEM） investigation has been performed on the dislocation pinning in Lie-ordered Ni3（Al, Ti） containing disordered γ precipitates.The morphology of deformation induced dislocations in the γ base alloys containing fine dispersion of disordered γ was investigated by means of weak-beam electron microscopy. The superdislocations are strongly attracted to the disordered particles and dissociate on the （111） plane in the γ particles, while they dissociate on the （010） plane in the γ＇ matrix. The disordered γ precipitates play an important role as a pinning point during the cross-slip of superdislocations from （111） to （010） planes in the γ matrix and restrain the cross-slip of superdislocations. The interaction of superdislocations with disordered particles causes the formation of superkinks, jogs and closed loops.展开更多
The dissociation of a [1-01] superdislocation in Ni 3Al was studied by computer simulation techniques using the embedded atom method (EAM). Three types of dissociation were obtained, depending on the initial position ...The dissociation of a [1-01] superdislocation in Ni 3Al was studied by computer simulation techniques using the embedded atom method (EAM). Three types of dissociation were obtained, depending on the initial position of elastic centers of the superdislocation. One is the stable planar dissociation that the superdislocation dissociates on only one {111} plane into a pair of 1/2[1-01] superpartials separated by antiphase boundary (APB). Another stable dissociation is that it occurs on two adjacent {111} planes joined by an intersecting {111} or (010) plane. The metastable one is that the dissociation occurs in T shape: the superdislocation dissociates on two intersecting {111} planes into three partials: one 1/2[1-01] partial and two widely separated 1/6〈112〉 Shockley partials with a complex stacking fault (CSF) in between.展开更多
The nucleation and propagation of h011]superdislocations in intermetallic TiAl were investigated using molecular dynamics simulations and static energetics calculation,as part of our systematic effort to understand th...The nucleation and propagation of h011]superdislocations in intermetallic TiAl were investigated using molecular dynamics simulations and static energetics calculation,as part of our systematic effort to understand the twining and dislocation behavior of alloys based on c-TiAl.It was found that compared to ordinary dislocations in disordered crystals,superdislocations in ordered TiAl lattice behave differently when sheared in the two opposite senses along[0"11]direction.This difference is due to the lower L10lattice symmetry compared with the face-centered cubic(fcc)lattice that it based on,with different yield stress and strain,and dislocation core dissociation and motion.Superdislocations nucleated in the form of loops dissociated in a planar manner into four Shockley partials separated by three kinds of faults:superlattice intrinsic stacking fault(SISF),anti-phase domain boundary(APB)and complex stacking fault(CSF),with partial separations depending on the sense of shearing and dislocation character.During loop expansion,the dislocation core changes both in width and dissociation manner depending on the character of the segment in the loop.The core contains four partials close to edge orientation,gradually changing to three fold near 60°,and finally into twofold dissociationaround 30°character.Superdislocations may have multiple critical resolved shear stresses(CRSS)for motion depending on dissociation and shearing sense even for the same slip system,with lower critical stress for the motion when SISF is in leading position.展开更多
Theoretical calculation of the dissociation widths of and superdislocations with different orientations and configurations have been carried out under the equilibrium condition that the total elastic interaction force...Theoretical calculation of the dissociation widths of and superdislocations with different orientations and configurations have been carried out under the equilibrium condition that the total elastic interaction force acting on partial dislocations is balanced by the fault surface tension acting in the opposite direction. The results show that the superdislocation dissociation widths depended not only on stacking fault energies and dislocation characteristics but also on elastic anisotropy, superdislocation types and dissociation modes. Under the elastic anisotropy, the dissociation width of screw superdislocation is larger than that of screw superdislocation, and the dissociation width of edged superdislocation is smaller than that of edged superdislocation with the same stacking fault energy. The dissociation widths under the twofold, threefold and fourfold dissociations are also evaluated with anisotropy. The present results help to determine the stacking fault energies and evaluate the mobility of superdislocation in TiAl.展开更多
基金supported by the National Basic Research Program of China (No.2011CB606404)the National Natural Science Foundation of China (No.51171195)the GM Research Project
文摘Molecular dynamics simulation of uniaxial tension along [001] has been performed to study the influence of various surface defects on the initiation of plastic deformation and fracture of γ-TiAl single crystals.The results indicate that brittle fracture occurs in perfect bulk; surfaces and edges will be detrimental to the strength of materials and provide dislocation nucleation site. The defects on surfaces and edges cause further weakening with various effects depending on defect type, size, position and orientation,while the edge dimples are the most influential. For γ-TiAl rods with surface dimples, dislocations nucleate from an edge of the rod when dimples are small, dimple dislocation nucleation occurs only when the dimples are larger than a strain rate dependent critical size. The dislocations nucleated upon [001]tension are super dislocations with Burger vectors 〈011] or 1/2 〈 112] containing four 1/6 〈 112 〉 partials. The effects of surface scratches are orientation and shape sensitive. Scratches parallel to the loading direction have little influence, while sharp ones perpendicular to the loading direction may cause crack and thus should be avoided. This simulation also shows that, any type of surface defect would lower strength,and cause crack in some cases. But some may facilitate dislocation nucleation and improve ductility of TiAl if well controlled.
基金the Grant-in-Aid for Scientific Research from the Ministry of Education, Science and Culture of Japan the National Natural Science Foundation of China （No. 59971008）.
文摘A transmission electron microscopy （TEM） investigation has been performed on the dislocation pinning in Lie-ordered Ni3（Al, Ti） containing disordered γ precipitates.The morphology of deformation induced dislocations in the γ base alloys containing fine dispersion of disordered γ was investigated by means of weak-beam electron microscopy. The superdislocations are strongly attracted to the disordered particles and dissociate on the （111） plane in the γ particles, while they dissociate on the （010） plane in the γ＇ matrix. The disordered γ precipitates play an important role as a pinning point during the cross-slip of superdislocations from （111） to （010） planes in the γ matrix and restrain the cross-slip of superdislocations. The interaction of superdislocations with disordered particles causes the formation of superkinks, jogs and closed loops.
文摘The dissociation of a [1-01] superdislocation in Ni 3Al was studied by computer simulation techniques using the embedded atom method (EAM). Three types of dissociation were obtained, depending on the initial position of elastic centers of the superdislocation. One is the stable planar dissociation that the superdislocation dissociates on only one {111} plane into a pair of 1/2[1-01] superpartials separated by antiphase boundary (APB). Another stable dissociation is that it occurs on two adjacent {111} planes joined by an intersecting {111} or (010) plane. The metastable one is that the dissociation occurs in T shape: the superdislocation dissociates on two intersecting {111} planes into three partials: one 1/2[1-01] partial and two widely separated 1/6〈112〉 Shockley partials with a complex stacking fault (CSF) in between.
基金supported by the National Basic Research Program of China (2011CB606404)the National Natural Science Foundation of China (51171195)GM Research Project
文摘The nucleation and propagation of h011]superdislocations in intermetallic TiAl were investigated using molecular dynamics simulations and static energetics calculation,as part of our systematic effort to understand the twining and dislocation behavior of alloys based on c-TiAl.It was found that compared to ordinary dislocations in disordered crystals,superdislocations in ordered TiAl lattice behave differently when sheared in the two opposite senses along[0"11]direction.This difference is due to the lower L10lattice symmetry compared with the face-centered cubic(fcc)lattice that it based on,with different yield stress and strain,and dislocation core dissociation and motion.Superdislocations nucleated in the form of loops dissociated in a planar manner into four Shockley partials separated by three kinds of faults:superlattice intrinsic stacking fault(SISF),anti-phase domain boundary(APB)and complex stacking fault(CSF),with partial separations depending on the sense of shearing and dislocation character.During loop expansion,the dislocation core changes both in width and dissociation manner depending on the character of the segment in the loop.The core contains four partials close to edge orientation,gradually changing to three fold near 60°,and finally into twofold dissociationaround 30°character.Superdislocations may have multiple critical resolved shear stresses(CRSS)for motion depending on dissociation and shearing sense even for the same slip system,with lower critical stress for the motion when SISF is in leading position.
文摘Theoretical calculation of the dissociation widths of and superdislocations with different orientations and configurations have been carried out under the equilibrium condition that the total elastic interaction force acting on partial dislocations is balanced by the fault surface tension acting in the opposite direction. The results show that the superdislocation dissociation widths depended not only on stacking fault energies and dislocation characteristics but also on elastic anisotropy, superdislocation types and dissociation modes. Under the elastic anisotropy, the dissociation width of screw superdislocation is larger than that of screw superdislocation, and the dissociation width of edged superdislocation is smaller than that of edged superdislocation with the same stacking fault energy. The dissociation widths under the twofold, threefold and fourfold dissociations are also evaluated with anisotropy. The present results help to determine the stacking fault energies and evaluate the mobility of superdislocation in TiAl.
