We investigate the segregation behavior of alloying atoms （Sr, Th, In, Cd, Ag, Sc, Au, Zn, Cu, Mn, Cr, and Ti） near Z3 （ 111 ） [1]-0] tilt symmetric grain boundary （GB） in tungsten and their effects on the inter...We investigate the segregation behavior of alloying atoms （Sr, Th, In, Cd, Ag, Sc, Au, Zn, Cu, Mn, Cr, and Ti） near Z3 （ 111 ） [1]-0] tilt symmetric grain boundary （GB） in tungsten and their effects on the intergranular embrittlement by performing first-principles calculations. The calculated segregation energies suggest that Ag, Au, Cd, In, Sc, Sr, Th, and Ti prefer to occupy the site in the mirror plane of the GB, while Cu, Cr, Mn, and Zn intend to locate at the first layer nearby the GB core. The calculated strengthening energies predict Sr, Th, In, Cd, Ag, Sc, Au, Ti, and Zn act as embrittlers while Cu, Cr, and Mn act as cohesion enhancers. The correlation of the alloying atom＇s metal radius with strengthening energy is strong enough to predict the strengthening and embrittling behavior of alloying atoms; that is, the alloying atom with larger metal radius than W acts as an embrittler and the one with smaller metal radius acts as a cohesion enhancer.展开更多
Sintered Nd-Ce-Fe-B magnets were grain boundary diffused(GBDed) with Pr_(x)Tb_(80-x)Al_(10)Ga_(10)(at%)(x=0,20,40,60,80) alloys.The effect of Pr/Tb content in diffusion source on magnetic properties,microstructure and...Sintered Nd-Ce-Fe-B magnets were grain boundary diffused(GBDed) with Pr_(x)Tb_(80-x)Al_(10)Ga_(10)(at%)(x=0,20,40,60,80) alloys.The effect of Pr/Tb content in diffusion source on magnetic properties,microstructure and elements distribution of GBDed magnets was investigated.When Pr is used to substitute for 75% Tb in diffusion source,Tb consumption per unit coercivity improvement of GBDed magnet reduces by 77%,compared with the Tb_(80)Al_(10)Ga_(10) diffused magnet.Tb element diffuses into magnets and then forms Tb-rich shell with high magneto-crystalline anisotropy field surrounding main phase grains,resulting in substantial coercivity improvement.Pr with low melting point diffuses deeply along liquid grain boundary phase during GBD process.It can eliminate some sharp defects of main phase grains and make grain boundaries smooth,which provides diffusion channels for further diffusion of Tb element.Therefore,there are more diffusion channels for Tb and less Tb enriched at surface region,making Tb diffuse more deeply and improving Tb utilization efficiency.This method significantly improves the coercivity,and realizes the green,efficient and high-quality utilization of heavy rare earth(HRE)elements.展开更多
Aging prior to twinning deformation was proposed to alter the precipitate orientation of the plate-shapedβ-MgAlfrom(0002)basal planes(named basal plates)to■prismatic planes(named prismatic plates)in AZ31 Mg alloy.Th...Aging prior to twinning deformation was proposed to alter the precipitate orientation of the plate-shapedβ-MgAlfrom(0002)basal planes(named basal plates)to■prismatic planes(named prismatic plates)in AZ31 Mg alloy.The experimental results showed that the compressive yield strength(CYS)of the sample containing prismatic plates increased 40 MPa and the compression ratio raised by 22%compared to that containing basal plates.The underlying strengthening mechanism was analyzed via a yield strengthen(YS)model with a function of grain size,precipitate characters(size,oritention,fraction)and Schmid factor(SF).It revealed that the improvement of CYS was mainly attributed to the altered precipitate orientation and refined grain size produced by twinning deformation.Particularly,the prismatic plates always have a stronger hardening effect on basal slip than basal plates under the same varites of precipitate diameter and SF.Besides,the decreased CRSS ratio of prismatic slip to basal slip revealed that the activity of non-basal slip in Mg alloy might be enhanced.More activated slip systems provided more mobile dislocations,contributing to the large compression ratio of the Mg rolled sheet with prismatic plates.展开更多
This review summarizes the strengthening mechanisms of reduced activation ferritic/martensitic(RAFM)steels.High-angle grain boundaries,subgrain boundaries,nano-sized M_(23)C_(6),and MX carbide precipitates effectively...This review summarizes the strengthening mechanisms of reduced activation ferritic/martensitic(RAFM)steels.High-angle grain boundaries,subgrain boundaries,nano-sized M_(23)C_(6),and MX carbide precipitates effectively hinder dislocation motion and increase high-temperature strength.M23C6 carbides are easily coarsened under high temperatures,thereby weakening their ability to block dislocations.Creep properties are improved through the reduction of M23C6 carbides.Thus,the loss of strength must be compensated by other strengthening mechanisms.This review also outlines the recent progress in the development of RAFM steels.Oxide dispersion-strengthened steels prevent M23C6 precipitation by reducing C content to increase creep life and introduce a high density of nano-sized oxide precipitates to offset the reduced strength.Severe plastic deformation methods can substantially refine subgrains and MX carbides in the steel.The thermal deformation strengthening of RAFM steels mainly relies on thermo-mechanical treatment to increase the MX carbide and subgrain boundaries.This procedure increases the creep life of TMT(thermo-mechanical treatment)9Cr-1W-0.06Ta steel by~20 times compared with those of F82H and Eurofer 97 steels under 550℃/260 MPa.展开更多
A concept of microstructure design for materials or materials microstructure engineering is proposed. The argument was suggested based on literature review and. some our new research work on second phase strengthening...A concept of microstructure design for materials or materials microstructure engineering is proposed. The argument was suggested based on literature review and. some our new research work on second phase strengthening mechanisms and mechanical property modeling of a particulate reinforced metal matrix composite. Due to development of computer technology, it is possible now for us to establish the relationship between microstructures and properties systematically and quantitatively by analytical and numerical modeling in the research scope of computerization materials. Discussions and examples on intellectual optimization of microstructure are presented on two aspects: grain boundary engineering and optimal geometry of particulate reinforcements in two-phase materials.展开更多
Grain boundaries(GBs)can serve as effective sinks for radiation-induced defects,thus notably influencing the service performance of materials.However,the effect of GB structures on the zero-dimensional defects induced...Grain boundaries(GBs)can serve as effective sinks for radiation-induced defects,thus notably influencing the service performance of materials.However,the effect of GB structures on the zero-dimensional defects induced by irradiation has not been fully elucidated.Here,the evolution of cascade collision in the single-crystal(SC),bicrystalline(BC),and twinned crystalline(TC)copper is studied by atomic simulations during irradiation.The spatial distributions of vacancies and interstitials are closely related to the GB at a certain primary knock-on atom(PKA)energy.Compared with the TC,the BC displays a more obvious segregation of the interstitial atoms near GB,due to the characteristic of the greater interstitial binding energy.The evolution of Frenkel pairs is more sensitive to the change of the GB position in the BC.A more prominent defect annihilation rate is caused by the effect of the GB than that of the twin boundary(TB).The marked secondary emission phenomenon has been observed in the BC,which promotes the formation of an inverted pagoda-like defect distribution.There are similar sub-conical defect distributions and microstructures induced by cascade collision in the TC and the SC.It has been found that the influence range of the GB is wider in the BC.Meanwhile,the average flow stress of the irradiated copper is quantitatively calculated by establishing a physical strengthening model.The contribution of vacancy to the average flow stress in the irradiated BC and TC is obvious than that in the SC,due to the formation of many vacancies.This study provides a theoretical basis for further understanding and customization of the metal-based equipment with good radiation resistance.展开更多
Strengthening in metals is traditionally achieved through the controlled creation of various grain boundaries(GBs),such as low-angle GBs,high-angle GBs,and twin boundaries(TBs).In the present study,a series of large-s...Strengthening in metals is traditionally achieved through the controlled creation of various grain boundaries(GBs),such as low-angle GBs,high-angle GBs,and twin boundaries(TBs).In the present study,a series of large-scale molecular dynamics simulations with spherical nanoindentation and carefully designed model were conducted to investigate and compare the strengthening effects of various GBs with nano-spacing as barriers of dislocation motion.Simulation results showed that high-angle twist GBs and TBs are similar barriers and low-angle twist GBs are less effective in obstructing dislocation motion.Corresponding atomistic mechanisms were also given.At a certain indentation depth,dislocation transmission and dislocation nucleation from the other side of boundaries were observed for low-angle twist GBs,whereas dislocations were completely blocked by high-angle twist GBs and TBs at the same indentation depth.The current findings should provide insights for comprehensive understanding of the strengthening effects of various GBs at nanoscale.展开更多
基金Project supported by the National Magnetic Confinement Fusion Program(Grant No.2011GB108004)the National Natural Science Foundation of China(Grant Nos.91026002 and 91126002)+1 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant Nos.KJCX2-YW-N35 andXDA03010303)the Center for Computation Science,Hefei Institutes of Physical Sciences
文摘We investigate the segregation behavior of alloying atoms （Sr, Th, In, Cd, Ag, Sc, Au, Zn, Cu, Mn, Cr, and Ti） near Z3 （ 111 ） [1]-0] tilt symmetric grain boundary （GB） in tungsten and their effects on the intergranular embrittlement by performing first-principles calculations. The calculated segregation energies suggest that Ag, Au, Cd, In, Sc, Sr, Th, and Ti prefer to occupy the site in the mirror plane of the GB, while Cu, Cr, Mn, and Zn intend to locate at the first layer nearby the GB core. The calculated strengthening energies predict Sr, Th, In, Cd, Ag, Sc, Au, Ti, and Zn act as embrittlers while Cu, Cr, and Mn act as cohesion enhancers. The correlation of the alloying atom＇s metal radius with strengthening energy is strong enough to predict the strengthening and embrittling behavior of alloying atoms; that is, the alloying atom with larger metal radius than W acts as an embrittler and the one with smaller metal radius acts as a cohesion enhancer.
基金Project supported by the National Key Research and Development Program of China (2022YFB3503303)。
文摘Sintered Nd-Ce-Fe-B magnets were grain boundary diffused(GBDed) with Pr_(x)Tb_(80-x)Al_(10)Ga_(10)(at%)(x=0,20,40,60,80) alloys.The effect of Pr/Tb content in diffusion source on magnetic properties,microstructure and elements distribution of GBDed magnets was investigated.When Pr is used to substitute for 75% Tb in diffusion source,Tb consumption per unit coercivity improvement of GBDed magnet reduces by 77%,compared with the Tb_(80)Al_(10)Ga_(10) diffused magnet.Tb element diffuses into magnets and then forms Tb-rich shell with high magneto-crystalline anisotropy field surrounding main phase grains,resulting in substantial coercivity improvement.Pr with low melting point diffuses deeply along liquid grain boundary phase during GBD process.It can eliminate some sharp defects of main phase grains and make grain boundaries smooth,which provides diffusion channels for further diffusion of Tb element.Therefore,there are more diffusion channels for Tb and less Tb enriched at surface region,making Tb diffuse more deeply and improving Tb utilization efficiency.This method significantly improves the coercivity,and realizes the green,efficient and high-quality utilization of heavy rare earth(HRE)elements.
基金the Fundamental Research Funds for the Project of Science&Technology Department of Sichuan Province(2018HH0026)National Natural Science Foundation of China(51701132,U1764253)China Scholarship Council(201907005018)。
文摘Aging prior to twinning deformation was proposed to alter the precipitate orientation of the plate-shapedβ-MgAlfrom(0002)basal planes(named basal plates)to■prismatic planes(named prismatic plates)in AZ31 Mg alloy.The experimental results showed that the compressive yield strength(CYS)of the sample containing prismatic plates increased 40 MPa and the compression ratio raised by 22%compared to that containing basal plates.The underlying strengthening mechanism was analyzed via a yield strengthen(YS)model with a function of grain size,precipitate characters(size,oritention,fraction)and Schmid factor(SF).It revealed that the improvement of CYS was mainly attributed to the altered precipitate orientation and refined grain size produced by twinning deformation.Particularly,the prismatic plates always have a stronger hardening effect on basal slip than basal plates under the same varites of precipitate diameter and SF.Besides,the decreased CRSS ratio of prismatic slip to basal slip revealed that the activity of non-basal slip in Mg alloy might be enhanced.More activated slip systems provided more mobile dislocations,contributing to the large compression ratio of the Mg rolled sheet with prismatic plates.
基金the National Key Research and Development Program of China(No.2016YFB 0300600)the National Natural Science Foundation of China(NSFC)(No.51922026)+1 种基金the Fundamental Research Funds for the Central Universities(Nos.N2002013,N2002005,N2007011)the 111 Project(No.B20029).
文摘This review summarizes the strengthening mechanisms of reduced activation ferritic/martensitic(RAFM)steels.High-angle grain boundaries,subgrain boundaries,nano-sized M_(23)C_(6),and MX carbide precipitates effectively hinder dislocation motion and increase high-temperature strength.M23C6 carbides are easily coarsened under high temperatures,thereby weakening their ability to block dislocations.Creep properties are improved through the reduction of M23C6 carbides.Thus,the loss of strength must be compensated by other strengthening mechanisms.This review also outlines the recent progress in the development of RAFM steels.Oxide dispersion-strengthened steels prevent M23C6 precipitation by reducing C content to increase creep life and introduce a high density of nano-sized oxide precipitates to offset the reduced strength.Severe plastic deformation methods can substantially refine subgrains and MX carbides in the steel.The thermal deformation strengthening of RAFM steels mainly relies on thermo-mechanical treatment to increase the MX carbide and subgrain boundaries.This procedure increases the creep life of TMT(thermo-mechanical treatment)9Cr-1W-0.06Ta steel by~20 times compared with those of F82H and Eurofer 97 steels under 550℃/260 MPa.
基金the National Natural Science Foundation of China for the financial support by the grant 50171018 and 59771015, and Education Ministry of China for an outstanding teacher research fund to this study. Some student work
文摘A concept of microstructure design for materials or materials microstructure engineering is proposed. The argument was suggested based on literature review and. some our new research work on second phase strengthening mechanisms and mechanical property modeling of a particulate reinforced metal matrix composite. Due to development of computer technology, it is possible now for us to establish the relationship between microstructures and properties systematically and quantitatively by analytical and numerical modeling in the research scope of computerization materials. Discussions and examples on intellectual optimization of microstructure are presented on two aspects: grain boundary engineering and optimal geometry of particulate reinforcements in two-phase materials.
基金Project supported by the National Natural Science Foundation of China(Nos.51871092 and 11772122)the Foundation for Innovative Research Groups of the National Natural Science Foundation of China(No.51621004)。
文摘Grain boundaries(GBs)can serve as effective sinks for radiation-induced defects,thus notably influencing the service performance of materials.However,the effect of GB structures on the zero-dimensional defects induced by irradiation has not been fully elucidated.Here,the evolution of cascade collision in the single-crystal(SC),bicrystalline(BC),and twinned crystalline(TC)copper is studied by atomic simulations during irradiation.The spatial distributions of vacancies and interstitials are closely related to the GB at a certain primary knock-on atom(PKA)energy.Compared with the TC,the BC displays a more obvious segregation of the interstitial atoms near GB,due to the characteristic of the greater interstitial binding energy.The evolution of Frenkel pairs is more sensitive to the change of the GB position in the BC.A more prominent defect annihilation rate is caused by the effect of the GB than that of the twin boundary(TB).The marked secondary emission phenomenon has been observed in the BC,which promotes the formation of an inverted pagoda-like defect distribution.There are similar sub-conical defect distributions and microstructures induced by cascade collision in the TC and the SC.It has been found that the influence range of the GB is wider in the BC.Meanwhile,the average flow stress of the irradiated copper is quantitatively calculated by establishing a physical strengthening model.The contribution of vacancy to the average flow stress in the irradiated BC and TC is obvious than that in the SC,due to the formation of many vacancies.This study provides a theoretical basis for further understanding and customization of the metal-based equipment with good radiation resistance.
基金supported by the National Natural Science Foundation of China(Grant Nos.11472286,and 11672313)the National Key Basic Research Program of China(Grants Nos.2012CB932203,and 2012CB937500)the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB22040503)
文摘Strengthening in metals is traditionally achieved through the controlled creation of various grain boundaries(GBs),such as low-angle GBs,high-angle GBs,and twin boundaries(TBs).In the present study,a series of large-scale molecular dynamics simulations with spherical nanoindentation and carefully designed model were conducted to investigate and compare the strengthening effects of various GBs with nano-spacing as barriers of dislocation motion.Simulation results showed that high-angle twist GBs and TBs are similar barriers and low-angle twist GBs are less effective in obstructing dislocation motion.Corresponding atomistic mechanisms were also given.At a certain indentation depth,dislocation transmission and dislocation nucleation from the other side of boundaries were observed for low-angle twist GBs,whereas dislocations were completely blocked by high-angle twist GBs and TBs at the same indentation depth.The current findings should provide insights for comprehensive understanding of the strengthening effects of various GBs at nanoscale.
