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Electronic characteristic,tensile cracking behavior and potential energy surface of TiC(111)/Ti(0001)interface:A first principles study
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作者 Silong ZHANG Jibo WANG +4 位作者 Lixiang RAO Qizhen HE Xiaolei XING Yefei ZHOU Qingxiang YANG 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2023年第9期451-463,共13页
The preparation of TiC coating on Ti alloy surface to improve the wear resistance has attracted attention from researchers in aerospace field.The service life of TiC coating is related to the interfacial adhesion prop... The preparation of TiC coating on Ti alloy surface to improve the wear resistance has attracted attention from researchers in aerospace field.The service life of TiC coating is related to the interfacial adhesion properties between TiC coating and Ti alloy substrate.However,it is difficult to explain its interfacial adhesion mechanism by experimental methods.Based on the termination of atoms on the TiC surface,two TiC/Ti interface models named as the C-terminated-TiC(111)/Ti(0001) and Ti-terminated-TiC(11)/Ti(0001) interface were constructed by first-principles.The interfacial electronic characteristic of C-Ti bond is a mixture of polar covalent and metal bonds,and that of Ti-Ti bond is the metal bond.The tensile strains of both C-terminated-TiC(111)/Ti(0001) and Ti-terminated-TiC(111)/Ti(0001) interface in the fracture stage are ranged from 12% to 14%.Their maximum tensile stresses are 16.201 GPa and 15.590GPa,respectively.The sliding potential energy surface maximum of C-terminated-TiC(111)/Ti(0001) and Ti-terminated-TiC(111)/Ti(0001) interface are 5.387 J/m^(2) and 0.271 J/m^(2),respectively.And the sliding potential barriers on the minimum energy path are 2.094 J/m2and 0.136 J/m^(2) with an ideal shear strength of 20.32 GPa and 1.61 GPa,respectively.In summary,the interfacial adhesion property of C-terminated-TiC(111)/Ti(0001) interface is better than that of Ti-terminated-TiC(111)/Ti(0001) interface. 展开更多
关键词 ELECTRONIC FIRST-PRINCIPLES Potential energy surface TENSILE TiC/Ti interface
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Non-Markovian and Markovian Dynamics of a V-type Three-Level Atom
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作者 王小云 丁邦福 +2 位作者 刘景锋 颜琳 赵鹤平 《Communications in Theoretical Physics》 SCIE CAS CSCD 2012年第2期276-280,共5页
Abstract The reduced dynamics of a V-type three-level atom in a structure reservoir is presented, which has the exact solution in certain special condition. The Markovian and non-Markovian master equations for this co... Abstract The reduced dynamics of a V-type three-level atom in a structure reservoir is presented, which has the exact solution in certain special condition. The Markovian and non-Markovian master equations for this composite system are solved and compared with the exact solution. The solving approach can be directly generalized to the solution of a V-type multilevel system dynamics interacting with a reservoir. The results further testify that these two kinds of master equations are exploited in different coupling regime, providing guidance for further application of these variants master equations to solve multilevel system dynamics without the exact solution. 展开更多
关键词 V-type three-level atom non-Markovian and Markovian approaches correlation function Lorentzian spectral density and multilevel atom
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Topological phase transitions and Majorana zero modes induced by the periodic potential in an antiferromagnetic chain
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作者 K W Shen Q Chen 《Communications in Theoretical Physics》 SCIE CAS CSCD 2023年第8期156-162,共7页
We investigate the topological properties of an antiferromagnetic(AFM)chain with an on-site periodic potential,considering the intrinsic spin–orbit coupling and an external Zeeman field along with the nanowire.Our re... We investigate the topological properties of an antiferromagnetic(AFM)chain with an on-site periodic potential,considering the intrinsic spin–orbit coupling and an external Zeeman field along with the nanowire.Our results indicate that Majorana zero modes(MZMs)can be observed by adjusting the strength of the periodic potential.We have calculated the energy spectrum,the wave-function and transport properties,and all these results support the existence of MZMs in the AFM chain.Additionally,multiple topological phase transitions occur as the strength of the periodic potential changes,and several regions support MZMs. 展开更多
关键词 AFM chain Majorana zero modes topological phase transitions periodic potential
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