探索了金属层状结构的制备工艺,研究碳纳米管(Carbon nanotubes,CNTs)含量对纯镁在累积叠轧(Accumula⁃tive roll bonding,ARB)过程中微观组织的影响。结果表明:通过电泳沉积CNTs和累积叠轧工艺的结合能够获得CNTs分布较为均匀的层状复...探索了金属层状结构的制备工艺,研究碳纳米管(Carbon nanotubes,CNTs)含量对纯镁在累积叠轧(Accumula⁃tive roll bonding,ARB)过程中微观组织的影响。结果表明:通过电泳沉积CNTs和累积叠轧工艺的结合能够获得CNTs分布较为均匀的层状复合材料;CNTs的存在起到促进动态再结晶和抑制晶粒长大作用;由于界面层的作用,界面层附近动态再结晶晶粒沿着RD方向生长,在ND方向的生长得到抑制,动态再结晶晶粒尺寸平均为3μm左右;层状材料的基面织构强度随CNTs含量的增加而增强,其原因为CNTs的尺寸效应抑制了晶粒长大,导致晶粒数量增多,大多数晶粒内发生了基面滑移,晶粒转到基面取向,因此基面织构增强。展开更多
The recent discovery of the novel boron-framework in boron-rich metal borides with complex structures and intriguing features under high pressure has stimulated the search into the unique boron-network in the metal mo...The recent discovery of the novel boron-framework in boron-rich metal borides with complex structures and intriguing features under high pressure has stimulated the search into the unique boron-network in the metal monoborides or boron-deficient metal borides at high pressure.Herein,based on the particle swarm optimization algorithm combined with first-principles calculations,we thoroughly explored the structural evolution and properties of TiB up to 200 GPa.This material undergoes a pressure-induced phase transition of Pnma→Cmcm→Pmmm.Besides of two known phases Pnma and Cmcm,an unexpected orthorhombic Pmmm structure was predicted to be energetically favored in the pressure range of 110.88–200 GPa.Intriguingly,the B covalent network eventually evolved from a one-dimensional zigzag chain in Pnma-TiB and Cmcm-TiB to a graphene-like B-sheet in Pmmm-TiB.On the basis of the microscopic hardness model,the calculated hardness(H_(v))values of Pnma at 1 atm,Cmcm at 100 GPa,and Pmmm at 140 GPa are 36.81 GPa,25.17 GPa,and15.36 GPa,respectively.Remarkably,analyses of the density of states,electron localization function and the crystal orbital Hamilton population(COHP)exhibit that the bonding nature in the three TiB structures can be considered as a combination of the B–B and Ti–B covalent interactions.Moreover,the high hardness and excellent mechanical properties of the three Ti B polymorphs can be ascribed to the strong B–B and Ti–B covalent bonds.展开更多
文摘探索了金属层状结构的制备工艺,研究碳纳米管(Carbon nanotubes,CNTs)含量对纯镁在累积叠轧(Accumula⁃tive roll bonding,ARB)过程中微观组织的影响。结果表明:通过电泳沉积CNTs和累积叠轧工艺的结合能够获得CNTs分布较为均匀的层状复合材料;CNTs的存在起到促进动态再结晶和抑制晶粒长大作用;由于界面层的作用,界面层附近动态再结晶晶粒沿着RD方向生长,在ND方向的生长得到抑制,动态再结晶晶粒尺寸平均为3μm左右;层状材料的基面织构强度随CNTs含量的增加而增强,其原因为CNTs的尺寸效应抑制了晶粒长大,导致晶粒数量增多,大多数晶粒内发生了基面滑移,晶粒转到基面取向,因此基面织构增强。
基金supported by the National Natural Science Foundation of China(Grant No.11804031)the Scientific Research Project of Education Department of Hubei Province,China(Grant No.Q20191301)+1 种基金Youth Science Foundation of Jiangxi Province,China(Grant No.20171BAB211009)Henan Province Key Research and Development and Promotion of Special Scientific and Technological Research Project(Grant No.222102320283)。
文摘The recent discovery of the novel boron-framework in boron-rich metal borides with complex structures and intriguing features under high pressure has stimulated the search into the unique boron-network in the metal monoborides or boron-deficient metal borides at high pressure.Herein,based on the particle swarm optimization algorithm combined with first-principles calculations,we thoroughly explored the structural evolution and properties of TiB up to 200 GPa.This material undergoes a pressure-induced phase transition of Pnma→Cmcm→Pmmm.Besides of two known phases Pnma and Cmcm,an unexpected orthorhombic Pmmm structure was predicted to be energetically favored in the pressure range of 110.88–200 GPa.Intriguingly,the B covalent network eventually evolved from a one-dimensional zigzag chain in Pnma-TiB and Cmcm-TiB to a graphene-like B-sheet in Pmmm-TiB.On the basis of the microscopic hardness model,the calculated hardness(H_(v))values of Pnma at 1 atm,Cmcm at 100 GPa,and Pmmm at 140 GPa are 36.81 GPa,25.17 GPa,and15.36 GPa,respectively.Remarkably,analyses of the density of states,electron localization function and the crystal orbital Hamilton population(COHP)exhibit that the bonding nature in the three TiB structures can be considered as a combination of the B–B and Ti–B covalent interactions.Moreover,the high hardness and excellent mechanical properties of the three Ti B polymorphs can be ascribed to the strong B–B and Ti–B covalent bonds.
