The stability of coiled carbon nanotubes under C ion irradiation is investigated by molecular dynamics simulations.The defect statistics shows that small curvature coiled carbon nanotubes have better radiation toleran...The stability of coiled carbon nanotubes under C ion irradiation is investigated by molecular dynamics simulations.The defect statistics shows that small curvature coiled carbon nanotubes have better radiation tolerance than normal straight carbon nanotubes.To understand the effect of the curvature on defect production,the threshold displacement energies for the upper and lower walls,as well as those for the side parts,are calculated.The results show that the lower wall has better radiation tolerance than the upper wall.For the upper wall,a small increase in the curvature of nanotube axis gives rise to an increase in the radiation tolerance and then a decrease with the curvature becomes larger.However,for the lower wall,as the curvature of the nanotube axis increases,the radiation tolerance increases as the bonds compressed slightly in our simulation.展开更多
Channeling phenomena of He,Ne,Ar and Kr ions at energy(200–5000 eV)in single-wall carbon nanotubes(SWCNTs)are investigated by molecular dynamics simulation with analytical potentials.The critical angles for the parti...Channeling phenomena of He,Ne,Ar and Kr ions at energy(200–5000 eV)in single-wall carbon nanotubes(SWCNTs)are investigated by molecular dynamics simulation with analytical potentials.The critical angles for the particles to be channeled in an SWCNT are analyzed.In the incident energy range of 200–5000 eV,it is found that the ion energy dependence of the critical angle obeys an improved Lindhard equation which is closely related to the ratio of nuclear charge number to atomic mass Z/M.The critical angle for different types of ions channeling in SWCNTs is determined by both the atomic nuclear charge and mass.展开更多
基金Supported by the National Basic Research Program of China under Grant No 2010CB934504Strategically Leading Program of the Chinese Academy of Sciences under Grant No XDA02040100+2 种基金the National Natural Science Foundation of China(11075196,11005142)the Shanghai Municipal Science and Technology Commission(11ZR1445200)CAS Hundred Talents Program.
文摘The stability of coiled carbon nanotubes under C ion irradiation is investigated by molecular dynamics simulations.The defect statistics shows that small curvature coiled carbon nanotubes have better radiation tolerance than normal straight carbon nanotubes.To understand the effect of the curvature on defect production,the threshold displacement energies for the upper and lower walls,as well as those for the side parts,are calculated.The results show that the lower wall has better radiation tolerance than the upper wall.For the upper wall,a small increase in the curvature of nanotube axis gives rise to an increase in the radiation tolerance and then a decrease with the curvature becomes larger.However,for the lower wall,as the curvature of the nanotube axis increases,the radiation tolerance increases as the bonds compressed slightly in our simulation.
基金by the Key Project of the Knowledge Innovation Program of Chinese Academy of Sciences(KJCX3-SYW-N10)the Hundred Talents Program of Chinese Academy of Sciences,the National Natural Science Foundation of China(10874197)+1 种基金the Scientific Research Starting Foundation of the Ministry of Human Resources and Social Security of China for Returned Overseas Chinese Scholarsthe Shanghai Municipal Science and Technology Commission(09ZR1438300,11ZR1445200).
文摘Channeling phenomena of He,Ne,Ar and Kr ions at energy(200–5000 eV)in single-wall carbon nanotubes(SWCNTs)are investigated by molecular dynamics simulation with analytical potentials.The critical angles for the particles to be channeled in an SWCNT are analyzed.In the incident energy range of 200–5000 eV,it is found that the ion energy dependence of the critical angle obeys an improved Lindhard equation which is closely related to the ratio of nuclear charge number to atomic mass Z/M.The critical angle for different types of ions channeling in SWCNTs is determined by both the atomic nuclear charge and mass.
