Textured magnesium alloys usually exhibit anisotropic mechanical behavior due to the asymmetric activation of different twinning and slipping modes.This work focuses on the pyramidal slip responses of rolled AZ31 magn...Textured magnesium alloys usually exhibit anisotropic mechanical behavior due to the asymmetric activation of different twinning and slipping modes.This work focuses on the pyramidal slip responses of rolled AZ31 magnesium alloy under two loading conditions,compressive and tensile loading along the normal direction.Under the condition where the compressive loading direction is closely parallel to the c-axis of the unit cell,tensile twinning and basal slips are prohibited, dislocations then active and tend to accumulate at grain boundaries and form dislocation walls.Meanwhile,these dislocations exhibit zigzag morphologies,which result from the cross-slip from {10■1} first-order pyramidal plane to {11■2} second-order pyramidal plane,then back to {10■1} first-order pyramidal plane.Under the condition where tensile twins are prevalent,{10■1} first-order and {11■2} second-order pyramidal dislocations are favorable to be activated.Both types of dislocations behave climb-like dissociations onto the basal plane,forming zigzag dislocations.展开更多
A<110>/2 screw dislocation is commonly dissociated into two <112>/6 Shockley partial dislocations on{111} planes in face-centered cubic metals.As the two partials are not purely screw,different mechanisms ...A<110>/2 screw dislocation is commonly dissociated into two <112>/6 Shockley partial dislocations on{111} planes in face-centered cubic metals.As the two partials are not purely screw,different mechanisms of cross-slip could take place,depending on the stacking fault energy,applied stress and tempe rature.It is crucial to classify the mechanisms of cross-slip because each mechanism possesses its own reaction path with a special activation process.In this work,molecular dynamics simulations have been performed systematically to explore the cross-slip mechanism under different stresses and temperatures in three different metals Ag,Cu and Ni that have different stacking fault energies of 17.8,44.4 and 126.8 mJ/m^2,re spectively.In Ag and Cu with low stacking fault energy,it is observed that the cross-slip mechanism of screw dislocations changes from the Fleischer obtuse angle(FLOA),to the Friedel-Escaig(FE),and then to the FL acute angle(FLAA) at low temperatures,with increasing the applied stress.However,when the temperature increases,the FE mechanism gradually becomes dominant,while the FLAA only occurs at the high stress region.In particular,the FLOA has not been observed in Ni because of its high stacking fault energy.展开更多
The anomalous flow behavior of γ'-Ni_(3)Al phases at high temperature is closely related to the cross-slip of 1/2<110>{111}super-partial dislocations.Generalized stacking fault energy curves(i.e.,Γ-surface...The anomalous flow behavior of γ'-Ni_(3)Al phases at high temperature is closely related to the cross-slip of 1/2<110>{111}super-partial dislocations.Generalized stacking fault energy curves(i.e.,Γ-surfaces)along the lowest energy path can provide a great deal of information on the nucleation and movement of dislocations.With the first-principles calculation,the interplay between Re and W,Mo,Ta,Ti doped at preferential sites and their synergetic influence on Γ-surfaces and ideal shear strength(τ_(max))in γ'-Ni_(3)Al phases are investigated.Similar to single Re-addition,the Suzuki segregation of W at stacking faults is demonstrated to enable to impede the movement of 1/6<112>{111} Shockley partial dislocations and promote the cross-slip of 1/2<110>{111}super-partial dislocations.With the replacement of a part of Re by W,a decreased γ_(APB)^(111)/γ_(APB)^(001) indicates that the anomalous flow behavior of γ'phases at high temperature is not as excellent as the double Re-addition,but an increasedτmax means that the creep rupture strength of Ni-based single crystal superalloys can be benefited from this replacement to some extent,especially in the co-segregation of Re and W at Al−Al sites.As the interaction between X1_(Al) and X2_(Al) point defects is characterized by an correlation energy function ΔE^(X1_(Al)+X2_(Al))(d),it is found that both strong attraction and strong repulsion are unfavarable for the improvement of yield strengths of γ'phase.展开更多
We analyze a large-scale molecular dynamics simulation of work hardening in a model system of a ductile solid. With tensile loading, we observe emission of thousands of dislocations from two sharp cracks. The dislocat...We analyze a large-scale molecular dynamics simulation of work hardening in a model system of a ductile solid. With tensile loading, we observe emission of thousands of dislocations from two sharp cracks. The dislocations interact in a complex way, revealing three fundamental mechanisms of work-hardening in this ductile material. These are (1) dislocation cutting processes, jog formation and generation of trails of point defects; (2) activation of secondary slip systems by Frank-Read and cross-slip mechanisms; and (3) formation of sessile dislocations such as Lomer-Cottrell locks. We report the discovery of a new class of point defects referred to as trail of partial point defects, which could play an important role in situations when partial dislocations dominate plasticity. Another important result of the present work is the rediscovery of the Fleischer-mechanism of cross-slip of partial dislocations that was theoretically proposed more than 50 years ago, and is now, for the first time, confirmed by atomistic simulation. On the typical time scale of molecular dynamics simulations, the dislocations self-organize into a complex sessile defect topology. Our analysis illustrates numerous mechanisms formerly only conjectured in textbooks and observed indirectly in experiments. It is the first time that such a rich set of fundamental phenomena have been revealed in a single computer simulation, and its dynamical evolution has been studied. The present study exemplifies the simulation and analysis of the complex nonlinear dynamics of a many-particle system during failure using ultra-large scale computing.展开更多
Plastic deformation of TiAI and TiAI-V intermetallic compounds has been studied by com- pression experiment at various temperatures and strain rates.Results show that the plastic deformation in distinct temperature ra...Plastic deformation of TiAI and TiAI-V intermetallic compounds has been studied by com- pression experiment at various temperatures and strain rates.Results show that the plastic deformation in distinct temperature range is principally controlled by the mechanisms of Peierls-Nabarro,cross slip and creep of dislocations.For TiAI-V alloy deformed at a range of 600—700 K,the negative strain rate dependence of flow stress was observed,i.e.,the more the plastic strain is.the more the negative dependence will be.A possible mechanism of the anomaly could be interpreted by thermal activation of dislocation cross slipping.The effects of temperature and strain rate on work-hardening exponent were also studied and discussed.展开更多
The slip behavior and mechanism of large-size Mo-3Nb single crystal have been investigated and disclosed comprehensively at room temperature by quasi-static compression with various strains.With the increase of deform...The slip behavior and mechanism of large-size Mo-3Nb single crystal have been investigated and disclosed comprehensively at room temperature by quasi-static compression with various strains.With the increase of deformation,the slip traces change from shallow non-uniform slip lines to dense and uniform slip bands.Different slip traces in the same deformation condition were observed,suggesting that the slip traces in the single crystal are controlled by different types and arrangement mechanisms of mobile dislocation.To clarify the relationship between slip behavior and dislocation arrangement,TEM and AFM analyses were performed.Significant discrepancy between the mobility of screw segments and edge segments caused by double cross-slip multiplication mechanism is the reason why different slip features were witnessed.During the whole slip deformation process,screw dislocations play a dominant role and they are inclined to form wall-substructures by interaction and entanglement.With the development of dislocation accumulation,the entangled dislocation walls evolve into dislocation cells with higher stability.展开更多
基金supported by the Bejing Municipal Natural Science Foundation (No.2214072)the Interdisciplinary Research Project for Young Teachers of USTB (Fundamental Research Funds for the Central Universities) (FRF-IDRY-20-034)the Office of China Postdoctoral Council under Award No.YJ20200248。
文摘Textured magnesium alloys usually exhibit anisotropic mechanical behavior due to the asymmetric activation of different twinning and slipping modes.This work focuses on the pyramidal slip responses of rolled AZ31 magnesium alloy under two loading conditions,compressive and tensile loading along the normal direction.Under the condition where the compressive loading direction is closely parallel to the c-axis of the unit cell,tensile twinning and basal slips are prohibited, dislocations then active and tend to accumulate at grain boundaries and form dislocation walls.Meanwhile,these dislocations exhibit zigzag morphologies,which result from the cross-slip from {10■1} first-order pyramidal plane to {11■2} second-order pyramidal plane,then back to {10■1} first-order pyramidal plane.Under the condition where tensile twins are prevalent,{10■1} first-order and {11■2} second-order pyramidal dislocations are favorable to be activated.Both types of dislocations behave climb-like dissociations onto the basal plane,forming zigzag dislocations.
基金financially supported by the Program of “One Hundred Talented People” of the Chinese Academy of Sciences (JBY)the National Natural Science Foundation of China (Nos. 51871223, 51771206, and 51790482)。
文摘A<110>/2 screw dislocation is commonly dissociated into two <112>/6 Shockley partial dislocations on{111} planes in face-centered cubic metals.As the two partials are not purely screw,different mechanisms of cross-slip could take place,depending on the stacking fault energy,applied stress and tempe rature.It is crucial to classify the mechanisms of cross-slip because each mechanism possesses its own reaction path with a special activation process.In this work,molecular dynamics simulations have been performed systematically to explore the cross-slip mechanism under different stresses and temperatures in three different metals Ag,Cu and Ni that have different stacking fault energies of 17.8,44.4 and 126.8 mJ/m^2,re spectively.In Ag and Cu with low stacking fault energy,it is observed that the cross-slip mechanism of screw dislocations changes from the Fleischer obtuse angle(FLOA),to the Friedel-Escaig(FE),and then to the FL acute angle(FLAA) at low temperatures,with increasing the applied stress.However,when the temperature increases,the FE mechanism gradually becomes dominant,while the FLAA only occurs at the high stress region.In particular,the FLOA has not been observed in Ni because of its high stacking fault energy.
基金the financial supports from the National Natural Science Foundation of China(Nos.51871096,52071136).
文摘The anomalous flow behavior of γ'-Ni_(3)Al phases at high temperature is closely related to the cross-slip of 1/2<110>{111}super-partial dislocations.Generalized stacking fault energy curves(i.e.,Γ-surfaces)along the lowest energy path can provide a great deal of information on the nucleation and movement of dislocations.With the first-principles calculation,the interplay between Re and W,Mo,Ta,Ti doped at preferential sites and their synergetic influence on Γ-surfaces and ideal shear strength(τ_(max))in γ'-Ni_(3)Al phases are investigated.Similar to single Re-addition,the Suzuki segregation of W at stacking faults is demonstrated to enable to impede the movement of 1/6<112>{111} Shockley partial dislocations and promote the cross-slip of 1/2<110>{111}super-partial dislocations.With the replacement of a part of Re by W,a decreased γ_(APB)^(111)/γ_(APB)^(001) indicates that the anomalous flow behavior of γ'phases at high temperature is not as excellent as the double Re-addition,but an increasedτmax means that the creep rupture strength of Ni-based single crystal superalloys can be benefited from this replacement to some extent,especially in the co-segregation of Re and W at Al−Al sites.As the interaction between X1_(Al) and X2_(Al) point defects is characterized by an correlation energy function ΔE^(X1_(Al)+X2_(Al))(d),it is found that both strong attraction and strong repulsion are unfavarable for the improvement of yield strengths of γ'phase.
文摘We analyze a large-scale molecular dynamics simulation of work hardening in a model system of a ductile solid. With tensile loading, we observe emission of thousands of dislocations from two sharp cracks. The dislocations interact in a complex way, revealing three fundamental mechanisms of work-hardening in this ductile material. These are (1) dislocation cutting processes, jog formation and generation of trails of point defects; (2) activation of secondary slip systems by Frank-Read and cross-slip mechanisms; and (3) formation of sessile dislocations such as Lomer-Cottrell locks. We report the discovery of a new class of point defects referred to as trail of partial point defects, which could play an important role in situations when partial dislocations dominate plasticity. Another important result of the present work is the rediscovery of the Fleischer-mechanism of cross-slip of partial dislocations that was theoretically proposed more than 50 years ago, and is now, for the first time, confirmed by atomistic simulation. On the typical time scale of molecular dynamics simulations, the dislocations self-organize into a complex sessile defect topology. Our analysis illustrates numerous mechanisms formerly only conjectured in textbooks and observed indirectly in experiments. It is the first time that such a rich set of fundamental phenomena have been revealed in a single computer simulation, and its dynamical evolution has been studied. The present study exemplifies the simulation and analysis of the complex nonlinear dynamics of a many-particle system during failure using ultra-large scale computing.
文摘Plastic deformation of TiAI and TiAI-V intermetallic compounds has been studied by com- pression experiment at various temperatures and strain rates.Results show that the plastic deformation in distinct temperature range is principally controlled by the mechanisms of Peierls-Nabarro,cross slip and creep of dislocations.For TiAI-V alloy deformed at a range of 600—700 K,the negative strain rate dependence of flow stress was observed,i.e.,the more the plastic strain is.the more the negative dependence will be.A possible mechanism of the anomaly could be interpreted by thermal activation of dislocation cross slipping.The effects of temperature and strain rate on work-hardening exponent were also studied and discussed.
基金financially supported by the Major Science and Technology Project of Shaanxi Province,China(No.2020zdzx04-02-02)the Key Research and Development Program of Shaanxi,China(Nos.2019ZDLGY05-04 and 2019ZDLGY05-06)the National key Research and Development Program(No.2017YFB0306003)。
文摘The slip behavior and mechanism of large-size Mo-3Nb single crystal have been investigated and disclosed comprehensively at room temperature by quasi-static compression with various strains.With the increase of deformation,the slip traces change from shallow non-uniform slip lines to dense and uniform slip bands.Different slip traces in the same deformation condition were observed,suggesting that the slip traces in the single crystal are controlled by different types and arrangement mechanisms of mobile dislocation.To clarify the relationship between slip behavior and dislocation arrangement,TEM and AFM analyses were performed.Significant discrepancy between the mobility of screw segments and edge segments caused by double cross-slip multiplication mechanism is the reason why different slip features were witnessed.During the whole slip deformation process,screw dislocations play a dominant role and they are inclined to form wall-substructures by interaction and entanglement.With the development of dislocation accumulation,the entangled dislocation walls evolve into dislocation cells with higher stability.
