The core structure,Peierls stress and core energy,etc.are comprehensively investigated for the 90°dislocation and the 60°dislocation in metal aluminum using the fully discrete Peierls model,and in particular...The core structure,Peierls stress and core energy,etc.are comprehensively investigated for the 90°dislocation and the 60°dislocation in metal aluminum using the fully discrete Peierls model,and in particular thermal effects are included for temperature range 0≤T≤900 K.For the 90°dislocation,the core clearly dissociates into two partial dislocations with the separating distance D~12?,and the Peierls stress is very smallσp<1 k Pa.The nearly vanishing Peierls stress results from the large characteristic width and a small step length of the 90°dislocation.The 60°dislocation dissociates into 30°and 90°partial dislocations with the separating distance D~11A.The Peierls stress of the 60°dislocation grows up from1 MPa to 2 MPa as the temperature increases from 0 K to 900 K.Temperature influence on the core structures is weak for both the 90°dislocation and the 60°dislocation.The core structures theoretically predicted at T=0 K are also confirmed by the first principle simulations.展开更多
Atomistic simulations were adopted to study the solute segregation effect on dislocation transmutation across the{1012}twin boundaries in magnesium.For pure magnesium,the dislocation-twin reaction resulted in the form...Atomistic simulations were adopted to study the solute segregation effect on dislocation transmutation across the{1012}twin boundaries in magnesium.For pure magnesium,the dislocation-twin reaction resulted in the formation of sessile dislocations accompanied by the fast migration of the twin boundary,and no〈c+a〉dislocation occurred.With Al segregation,instead,two basal dislocations transmuted into one prismatic〈c+a〉dislocation in the twin.Twin migration was significantly impeded,and the resultant twin disconnections stayed localized and had a higher step character than in pure Mg.To reveal the mechanism of the effect of solute segregation,the Peierls barriers of twin disconnections were calculated,and the dynamic evolutions of twin disconnection dipoles were simulated.The results suggested that Al segregation softened the Peierls barrier of twin disconnections but imposed a high pinning force on twin disconnections,thus attenuating their mobility.Moreover,given the same Al segregation,the twin disconnection dipole with a higher step showed greater stability,which explained the presence of localized twin disconnections with a higher step in the cases with Al segregation than in pure magnesium.The solute segregation induced low mobility of twin disconnections contributed to the occurrence of〈c+a〉dislocations.展开更多
This study focuses on permanent surface dislocations caused by a strike-slip fault in an alluvial valley.A twodimensional mathematical model is utilized,considering the valley to have a half-cylindrical shape.The vall...This study focuses on permanent surface dislocations caused by a strike-slip fault in an alluvial valley.A twodimensional mathematical model is utilized,considering the valley to have a half-cylindrical shape.The valley medium is assumed to be isotropic,linear elastic and nonhomogeneous,such that the shear modulus of the valley has spatial dependency.The valley is surrounded by an isotropic,linear elastic and homogeneous half-space.A strike-slip fault is located at the intersection between the valley and the half-space.The problem is solved analytically by using finite Fourier transform.Displacement functions are obtained in closed-form,in terms of power series and hypergeometric function series.Unknown coefficients of these series are determined from the boundary conditions,leading to an analytical exact solution.Numerical results indicate that the nonhomogeneity of the alluvial valley material has a limited impact on permanent surface dislocations unless there is a significant variation in the material properties within the functionally graded zone.In many cases,approximating the nonhomogeneous alluvial valley as a homogeneous medium is suitable.展开更多
Lutetium oxide(Lu_(2)O_(3))is recognized as a potential laser crystal material,and it is noted for its high ther⁃mal conductivity,low phonon energy,and strong crystal field.Nevertheless,its high melting point of 2450...Lutetium oxide(Lu_(2)O_(3))is recognized as a potential laser crystal material,and it is noted for its high ther⁃mal conductivity,low phonon energy,and strong crystal field.Nevertheless,its high melting point of 2450℃induces significant temperature gradients,resulting in a proliferation of defects.The scarcity of comprehensive research on this crystal’s defects hinders the enhancement of crystal quality.In this study,we employed the chemical etching method to examine the etching effects on Lu_(2)O_(3)crystals under various conditions and to identify the optimal conditions for investi⁃gating the dislocation defects of Lu_(2)O_(3)crystals(mass fraction 70%H3PO4,160℃,15-18 min).The morphologies of dislocation etch pits on the(111)-and(110)-oriented Lu_(2)O_(3)wafers were characterized using microscopy,scanning electron microscopy and atomic force microscopy.This research addresses the gap in understanding Lu_(2)O_(3)line defects and offers guidance for optimizing the crystal growth process and improving crystal quality.展开更多
This study investigates the effect of high current density electropulsing on the material in a rapid stress relaxation process.An AISI 1020 steel was shot-peened to induce surface compressive residual stresses in a co...This study investigates the effect of high current density electropulsing on the material in a rapid stress relaxation process.An AISI 1020 steel was shot-peened to induce surface compressive residual stresses in a controlled manner and subsequently electropulsed to investigate the changes in microstructure and defect configuration.AISI 1020 steel was chosen as it has a simple microstructure(plain ferritic)and composition with low alloying conditions.It is an appropriate material to study the effect of trans-mitting electric pulses on the microstructural defect evolution.A combination of electron-backscattered diffraction and transmission electron microscopy proved to be an effective tool in characterizing the post-electropulsing effects critically.By application of electropulsing,a reduction in the surface residual stress layer was noticed.Also,reductions in misorientation and dislocation density together with the disentan-glement of dislocations within the cold-worked layer were observed after electropulsing.Additionally,the annihilation of shot-peening-induced deformation bands beyond the residual layer depth was observed.These effects have been rationalised by taking into account the various possibilities of athermal effects of electropulsing.展开更多
Pyramidal dislocations are important for ductility enhancement of magnesium alloys.In this work,molecular dynamics simulations were employed to study the gliding behavior of pyramidal(c+a)dislocations under c-axis com...Pyramidal dislocations are important for ductility enhancement of magnesium alloys.In this work,molecular dynamics simulations were employed to study the gliding behavior of pyramidal(c+a)dislocations under c-axis compressive loading and tensile loading.The Peierls stress of Py-Ⅰ dislocation shows strong tension-compression asymmetry.However,no tension-compression asymmetry is seen on the Py-Ⅱ dislocation and basal dislocation.The tension-compression asymmetry origins from the asymmetry of partial dislocations of Py-Ⅰ dislocation,which leads to the dislocation core contracted under c-axis compressive loading and expanded under tensile loading.By analyzing the forces acting on the partial dislocations,we defined a neutral direction,which deviates from the full dislocation Burgers vector by 70.3°.The neutral direction is dependent on the ratio of lattice stresses of partial dislocations.If the shear stress is applied along the neutral direction,tension-compression asymmetry is eliminated and the dislocation core is un-contracted/un-expanded.The neutral direction of symmetrical dislocations(Py-Ⅱ dislocation and basal dislocation)is just the full dislocation Burgers vector.The tension-compression asymmetry and dislocation core contraction/expansion have an important influence on the dislocation behaviors,such as cross-slip,decomposition,basaltransition and mobility,which can be used to explain the mechanical behaviors of Mg single-crystals compressed along c-axis.展开更多
Integrating a heterogeneous structure can significantly enhance the strength-ductility synergy of composites.However,the relationship between hetero-deformation induced(HDI)strain hardening and dislocation activity ca...Integrating a heterogeneous structure can significantly enhance the strength-ductility synergy of composites.However,the relationship between hetero-deformation induced(HDI)strain hardening and dislocation activity caused by heterogeneous structures in the magnesium matrix composite remains unclear.In this study,a dual-heterogeneous TiC/AZ61 composite exhibits significantly improved plastic elongation(PEL)by nearly one time compared to uniform FG composite,meanwhile maintaining a high strength(UTS:417 MPa).This is because more severe deformation inhomogeneity in heterogeneous structure leads to more geometrically necessary dislocations(GNDs)accumulation and stronger HDI stress,resulting in higher HDI hardening compared to FG and CG composites.During the early stage of plastic deformation,the pile-up types of GND in the FG zone and CG zone are significantly different.GNDs tend to form substructures in the FG zone instead of the CG zone.They only accumulate at grain boundaries of the CG region,thereby leading to obviously increased back stress in the CG region.In the late deformation stage,the elevated HDI stress activates the new〈c+a〉dislocations in the CG region,resulting in dislocation entanglements and even the formation of substructures,further driving the high hardening in the heterogeneous composite.However,For CG composite,〈c+a〉dislocations are not activated even under large plastic strains,and only〈a〉dislocations pile up at grain boundaries and twin boundaries.Our work provides an in-depth understanding of dislocation variation and HDI hardening in heterogeneous magnesium-based composites.展开更多
The plastic deformation of semiconductors,a process critical to their mechanical and electronic properties,involves various mechanisms such as dislocation motion and phase transition.Here,we systematically examined th...The plastic deformation of semiconductors,a process critical to their mechanical and electronic properties,involves various mechanisms such as dislocation motion and phase transition.Here,we systematically examined the temperature-dependent Peierls stress for 30°and 90°partial dislocations in cadmium telluride(CdTe),using a combination of molecular statics and molecular dynamics simulations with a machine-learning force field,as well as density functional theory simulations.Our findings reveal that the 0 K Peierls stresses for these partial dislocations in CdTe are relatively low,ranging from 0.52 GPa to 1.46 GPa,due to its significant ionic bonding characteristics.Notably,in the CdTe system containing either a 30°Cd-core or 90°Te-core partial dislocation,a phase transition from the zinc-blende phase to theβ-Sn-like phase is favored over dislocation motion.This suggests a competitive relationship between these two mechanisms,driven by the bonding characteristics within the dislocation core and the relatively low phase transition stress of∼1.00 GPa.Furthermore,we observed a general trend wherein the Peierls stress for partial dislocations in CdTe exhibits a temperature dependence,which decreases with increasing temperature,becoming lower than the phase transition stress at elevated temperatures.Consequently,the dominant deformation mechanism in CdTe shifts from solid-state phase transition at low temperatures to dislocation motion at high temperatures.This investigation uncovers a compelling interplay between dislocation motion and phase transition in the plastic deformation of CdTe,offering profound insights into the mechanical behavior and electronic performance of CdTe and other II-VI semiconductors.展开更多
Dislocations and disclinations are fundamental topological defects within crystals,which determine the mechanical properties of metals and alloys.Despite their important roles in multiple physical mechanisms,e.g.,dyna...Dislocations and disclinations are fundamental topological defects within crystals,which determine the mechanical properties of metals and alloys.Despite their important roles in multiple physical mechanisms,e.g.,dynamic recovery and grain boundary mediated plasticity,the intrinsic coupling and correlation between disclinations and dislocations,and their impacts on the deformation behavior of metallic materials still remain obscure,partially due to the lack of a theoretical tool to capture the rotational nature of disclinations.By using a Lie-algebra-based theoretical framework,we obtain a general equation to quantify the intrinsic coupling of disclinations and dislocations.Through quasi in-situ electron backscatter diffraction characterizations and disclination/dislocation density analyses in Mg alloys,the generation,coevolution and reactions of disclinations and dislocations during dynamic recovery and superplastic deformation have been quantitatively analyzed.It has been demonstrated that the obtained governing equation can capture multiple physical processes associated with mechanical deformation of metals,e.g.,grain rotation and grain boundary migration,at both room temperature and high temperature.By establishing the disclination-dislocation coupling equation within a Lie algebra description,our work provides new insights for exploring the coevolution and reaction of disclinations/dislocations,with profound implications for elucidating the microstructure-property relationship and underlying deformation mechanisms in metallic materials.展开更多
Using a special constant deflection device, the changes in dislocation configuration ahead of a loaded crack tip for 60Fe40Ni alloy. before and after magnetization in a magnetic field, have been studied in TEM. The re...Using a special constant deflection device, the changes in dislocation configuration ahead of a loaded crack tip for 60Fe40Ni alloy. before and after magnetization in a magnetic field, have been studied in TEM. The results showed that the magnetization for 60Fe40Ni alloy could enhance dislocation emission, multiplication and motion. Also, the mechanical properties of 60Fe40Ni alloy, in air and in the magnetic field respectively have been investigated using the slow strain rate tension. And the results indicated that magnetization could make the yield strength corresponding to decrease by 26 percent, but did not influence the ultimate tensile strength and the fracture strain, which showed that magnetization could enhance plastic deformation.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11874093 and 11974062)。
文摘The core structure,Peierls stress and core energy,etc.are comprehensively investigated for the 90°dislocation and the 60°dislocation in metal aluminum using the fully discrete Peierls model,and in particular thermal effects are included for temperature range 0≤T≤900 K.For the 90°dislocation,the core clearly dissociates into two partial dislocations with the separating distance D~12?,and the Peierls stress is very smallσp<1 k Pa.The nearly vanishing Peierls stress results from the large characteristic width and a small step length of the 90°dislocation.The 60°dislocation dissociates into 30°and 90°partial dislocations with the separating distance D~11A.The Peierls stress of the 60°dislocation grows up from1 MPa to 2 MPa as the temperature increases from 0 K to 900 K.Temperature influence on the core structures is weak for both the 90°dislocation and the 60°dislocation.The core structures theoretically predicted at T=0 K are also confirmed by the first principle simulations.
基金supported by the National Natural Science Foundation of China(52071039 and 52301156)National Natural Science Foundation of Jiangsu Province of China(BK20241873)Natural Science Foundation of Jiangsu Province(BK20232025 and BK20243005)are greatly acknowledged.
文摘Atomistic simulations were adopted to study the solute segregation effect on dislocation transmutation across the{1012}twin boundaries in magnesium.For pure magnesium,the dislocation-twin reaction resulted in the formation of sessile dislocations accompanied by the fast migration of the twin boundary,and no〈c+a〉dislocation occurred.With Al segregation,instead,two basal dislocations transmuted into one prismatic〈c+a〉dislocation in the twin.Twin migration was significantly impeded,and the resultant twin disconnections stayed localized and had a higher step character than in pure Mg.To reveal the mechanism of the effect of solute segregation,the Peierls barriers of twin disconnections were calculated,and the dynamic evolutions of twin disconnection dipoles were simulated.The results suggested that Al segregation softened the Peierls barrier of twin disconnections but imposed a high pinning force on twin disconnections,thus attenuating their mobility.Moreover,given the same Al segregation,the twin disconnection dipole with a higher step showed greater stability,which explained the presence of localized twin disconnections with a higher step in the cases with Al segregation than in pure magnesium.The solute segregation induced low mobility of twin disconnections contributed to the occurrence of〈c+a〉dislocations.
文摘This study focuses on permanent surface dislocations caused by a strike-slip fault in an alluvial valley.A twodimensional mathematical model is utilized,considering the valley to have a half-cylindrical shape.The valley medium is assumed to be isotropic,linear elastic and nonhomogeneous,such that the shear modulus of the valley has spatial dependency.The valley is surrounded by an isotropic,linear elastic and homogeneous half-space.A strike-slip fault is located at the intersection between the valley and the half-space.The problem is solved analytically by using finite Fourier transform.Displacement functions are obtained in closed-form,in terms of power series and hypergeometric function series.Unknown coefficients of these series are determined from the boundary conditions,leading to an analytical exact solution.Numerical results indicate that the nonhomogeneity of the alluvial valley material has a limited impact on permanent surface dislocations unless there is a significant variation in the material properties within the functionally graded zone.In many cases,approximating the nonhomogeneous alluvial valley as a homogeneous medium is suitable.
基金Supported by National Key Research and Development Program of China(2021YFB3601403)National Natural Science Foundation of China(62105181)Taishan Scholar of Shandong Province(tsqn202306014)。
文摘Lutetium oxide(Lu_(2)O_(3))is recognized as a potential laser crystal material,and it is noted for its high ther⁃mal conductivity,low phonon energy,and strong crystal field.Nevertheless,its high melting point of 2450℃induces significant temperature gradients,resulting in a proliferation of defects.The scarcity of comprehensive research on this crystal’s defects hinders the enhancement of crystal quality.In this study,we employed the chemical etching method to examine the etching effects on Lu_(2)O_(3)crystals under various conditions and to identify the optimal conditions for investi⁃gating the dislocation defects of Lu_(2)O_(3)crystals(mass fraction 70%H3PO4,160℃,15-18 min).The morphologies of dislocation etch pits on the(111)-and(110)-oriented Lu_(2)O_(3)wafers were characterized using microscopy,scanning electron microscopy and atomic force microscopy.This research addresses the gap in understanding Lu_(2)O_(3)line defects and offers guidance for optimizing the crystal growth process and improving crystal quality.
基金supported by the National Research Foundation of Singapore,Rolls-Royce Singapore Pte.Ltd.,and Nanyang Technological University through grants#002123-00009 and #002124-00009.
文摘This study investigates the effect of high current density electropulsing on the material in a rapid stress relaxation process.An AISI 1020 steel was shot-peened to induce surface compressive residual stresses in a controlled manner and subsequently electropulsed to investigate the changes in microstructure and defect configuration.AISI 1020 steel was chosen as it has a simple microstructure(plain ferritic)and composition with low alloying conditions.It is an appropriate material to study the effect of trans-mitting electric pulses on the microstructural defect evolution.A combination of electron-backscattered diffraction and transmission electron microscopy proved to be an effective tool in characterizing the post-electropulsing effects critically.By application of electropulsing,a reduction in the surface residual stress layer was noticed.Also,reductions in misorientation and dislocation density together with the disentan-glement of dislocations within the cold-worked layer were observed after electropulsing.Additionally,the annihilation of shot-peening-induced deformation bands beyond the residual layer depth was observed.These effects have been rationalised by taking into account the various possibilities of athermal effects of electropulsing.
基金financially supported by National Natural Science Foundation of China(12072211,12232008)Foundation of Key laboratory(2022JCJQLB05703)Sichuan Province Science and Technology Project(2023NSFSC0914)。
文摘Pyramidal dislocations are important for ductility enhancement of magnesium alloys.In this work,molecular dynamics simulations were employed to study the gliding behavior of pyramidal(c+a)dislocations under c-axis compressive loading and tensile loading.The Peierls stress of Py-Ⅰ dislocation shows strong tension-compression asymmetry.However,no tension-compression asymmetry is seen on the Py-Ⅱ dislocation and basal dislocation.The tension-compression asymmetry origins from the asymmetry of partial dislocations of Py-Ⅰ dislocation,which leads to the dislocation core contracted under c-axis compressive loading and expanded under tensile loading.By analyzing the forces acting on the partial dislocations,we defined a neutral direction,which deviates from the full dislocation Burgers vector by 70.3°.The neutral direction is dependent on the ratio of lattice stresses of partial dislocations.If the shear stress is applied along the neutral direction,tension-compression asymmetry is eliminated and the dislocation core is un-contracted/un-expanded.The neutral direction of symmetrical dislocations(Py-Ⅱ dislocation and basal dislocation)is just the full dislocation Burgers vector.The tension-compression asymmetry and dislocation core contraction/expansion have an important influence on the dislocation behaviors,such as cross-slip,decomposition,basaltransition and mobility,which can be used to explain the mechanical behaviors of Mg single-crystals compressed along c-axis.
基金support from the National Natural Science Foundation of China(No:52061040)China Postdoctoral Science Foundation(No:2021M692512)+1 种基金Opening Project of Material Corrosion and Protection Key Laboratory of Sichuan Province(No:2023CL01)Open Projects of Key Laboratory of Advanced Technologies of Materials,Ministry of Education China,Southwest Jiaotong University(No:KLATM202003).
文摘Integrating a heterogeneous structure can significantly enhance the strength-ductility synergy of composites.However,the relationship between hetero-deformation induced(HDI)strain hardening and dislocation activity caused by heterogeneous structures in the magnesium matrix composite remains unclear.In this study,a dual-heterogeneous TiC/AZ61 composite exhibits significantly improved plastic elongation(PEL)by nearly one time compared to uniform FG composite,meanwhile maintaining a high strength(UTS:417 MPa).This is because more severe deformation inhomogeneity in heterogeneous structure leads to more geometrically necessary dislocations(GNDs)accumulation and stronger HDI stress,resulting in higher HDI hardening compared to FG and CG composites.During the early stage of plastic deformation,the pile-up types of GND in the FG zone and CG zone are significantly different.GNDs tend to form substructures in the FG zone instead of the CG zone.They only accumulate at grain boundaries of the CG region,thereby leading to obviously increased back stress in the CG region.In the late deformation stage,the elevated HDI stress activates the new〈c+a〉dislocations in the CG region,resulting in dislocation entanglements and even the formation of substructures,further driving the high hardening in the heterogeneous composite.However,For CG composite,〈c+a〉dislocations are not activated even under large plastic strains,and only〈a〉dislocations pile up at grain boundaries and twin boundaries.Our work provides an in-depth understanding of dislocation variation and HDI hardening in heterogeneous magnesium-based composites.
基金supported by the National Science Foundation(No.CMMI-2019459).
文摘The plastic deformation of semiconductors,a process critical to their mechanical and electronic properties,involves various mechanisms such as dislocation motion and phase transition.Here,we systematically examined the temperature-dependent Peierls stress for 30°and 90°partial dislocations in cadmium telluride(CdTe),using a combination of molecular statics and molecular dynamics simulations with a machine-learning force field,as well as density functional theory simulations.Our findings reveal that the 0 K Peierls stresses for these partial dislocations in CdTe are relatively low,ranging from 0.52 GPa to 1.46 GPa,due to its significant ionic bonding characteristics.Notably,in the CdTe system containing either a 30°Cd-core or 90°Te-core partial dislocation,a phase transition from the zinc-blende phase to theβ-Sn-like phase is favored over dislocation motion.This suggests a competitive relationship between these two mechanisms,driven by the bonding characteristics within the dislocation core and the relatively low phase transition stress of∼1.00 GPa.Furthermore,we observed a general trend wherein the Peierls stress for partial dislocations in CdTe exhibits a temperature dependence,which decreases with increasing temperature,becoming lower than the phase transition stress at elevated temperatures.Consequently,the dominant deformation mechanism in CdTe shifts from solid-state phase transition at low temperatures to dislocation motion at high temperatures.This investigation uncovers a compelling interplay between dislocation motion and phase transition in the plastic deformation of CdTe,offering profound insights into the mechanical behavior and electronic performance of CdTe and other II-VI semiconductors.
基金Financial supports from the National Natural Science Foundation of China(Nos.52171116,U22A20109,52334010 and T2325013)are greatly acknowledgedPartial financial support came from The Program for the Central University Youth Innovation Team,and the Fundamental Research Funds for the Central Universities,JLU.
文摘Dislocations and disclinations are fundamental topological defects within crystals,which determine the mechanical properties of metals and alloys.Despite their important roles in multiple physical mechanisms,e.g.,dynamic recovery and grain boundary mediated plasticity,the intrinsic coupling and correlation between disclinations and dislocations,and their impacts on the deformation behavior of metallic materials still remain obscure,partially due to the lack of a theoretical tool to capture the rotational nature of disclinations.By using a Lie-algebra-based theoretical framework,we obtain a general equation to quantify the intrinsic coupling of disclinations and dislocations.Through quasi in-situ electron backscatter diffraction characterizations and disclination/dislocation density analyses in Mg alloys,the generation,coevolution and reactions of disclinations and dislocations during dynamic recovery and superplastic deformation have been quantitatively analyzed.It has been demonstrated that the obtained governing equation can capture multiple physical processes associated with mechanical deformation of metals,e.g.,grain rotation and grain boundary migration,at both room temperature and high temperature.By establishing the disclination-dislocation coupling equation within a Lie algebra description,our work provides new insights for exploring the coevolution and reaction of disclinations/dislocations,with profound implications for elucidating the microstructure-property relationship and underlying deformation mechanisms in metallic materials.
基金supported by the National Natural Science Foundation of China(No.19891180)
文摘Using a special constant deflection device, the changes in dislocation configuration ahead of a loaded crack tip for 60Fe40Ni alloy. before and after magnetization in a magnetic field, have been studied in TEM. The results showed that the magnetization for 60Fe40Ni alloy could enhance dislocation emission, multiplication and motion. Also, the mechanical properties of 60Fe40Ni alloy, in air and in the magnetic field respectively have been investigated using the slow strain rate tension. And the results indicated that magnetization could make the yield strength corresponding to decrease by 26 percent, but did not influence the ultimate tensile strength and the fracture strain, which showed that magnetization could enhance plastic deformation.
