已为您找到该学者20条结果 成果回收站
【期刊论文】Dimerization and fusion of C60 molecules caused by molecular collision
夏曰源, Yueyuan Xia, Yuelin Xing, Chunyu Tan, and Liangmo Mei
PHYSICAL REVIEW B VOLUME 53, NUMBER 20,-0001,():
-1年11月30日
Collisions between two C60 molecules are studied using molecular dynamics simulations. The results show that dumbbell-shaped (C60)2 dimers with almost intact cages can be formed at low collision energies, and when the collision energy is high enough to overcome the fusion barrier, the two colliding C60 molecules fuse to form one large C120 cluster. These coalescence reactions are found to have very clear threshold behavior. The threshold energy of dimerization is dependent on the classical impact parameter between the mass centers of the colliding partners, and on the collisional orientation. The coalescence reactions are shown to be deep inelastic. The total cross section for the coalescence reaction is estimated to be on the order of the area of a circle, that has a radius equal to the diameter of a C60 molecule.
-
39浏览
-
0点赞
-
0收藏
-
0分享
-
124下载
-
0
-
引用
【期刊论文】Effective hydrogen storage in single-wall carbon nanotubes
夏曰源, Yuchen Ma, Yueyuan Xia, , * Mingwen Zhao, Ruijin Wang, and Liangmo Mei
PHYSICAL REVIEW B, VOLUME 63, 115422,-0001,():
-1年11月30日
The hydrogen-storage behavior of single-wall carbon nanotubes was studied using molecular dynamics simulations and ab initio electronic calculations. Hydrogen atoms with kinetic energy of 16-25eV were observed to penetrate into and be trapped inside the tube. Consecutively injected H atoms form hydrogen molecules, and gradually condense to become liquid hydrogen in the tube. The density of injected hydrogen in the tube and the pressure on the wall of the nanotube induced by the stored hydrogen molecules were evaluated at room temperature.
-
53浏览
-
0点赞
-
0收藏
-
0分享
-
140下载
-
0
-
引用
【期刊论文】Range distributions of ion-implanted fluorine in Hg1-xCdxTe, CdTe, and Pb1-xSnxTe
夏曰源, Yueyuan Xia and Chunyu Tan, Xierong Hu, Hong Yang and Xiufang Sun, Zongshuang Zheng, Peiran Zhu, and Jiarui Liu
J. Appl. Phys. 67 (7), 1 April 1990,-0001,():
-1年11月30日
and Pb1-x Snx Te have been measured by use of the 19F(p, αγ) 16O resonance nuclear reaction at 872.1keV with width F=4.2keV. In order to obtain the true range distribution of implanted fluorine from the experimental excitation yield curve, a convolution calculation method is presented, from which the range distribution parameters such as the average projected range Rp, the projected range straggling △Rp and the skewness of the projected range distribution SK were obtained. These experimental range parameters were compared with those obtained by a theoretical calculation and by use of the TRIM89 program, and shows that for all the materials studied here the experimental Re values agree with the theoretical and the TRIM values very well but the experimental range straggling △Re are larger than those obtained by the theoretical calculation and the TRIM89. This phenomenon may be attributed to the enhanced diffusion during the ion implantation.
-
38浏览
-
0点赞
-
0收藏
-
0分享
-
86下载
-
0
-
引用
【期刊论文】Hydrogen storage capacity in single-walled carbon nanotubes
夏曰源, Yuchen Ma, Yueyuan Xia, , * Mingwen Zhao, and Minju Ying
PHYSICAL REVIEW B, VOLUME 65, 155430,-0001,():
-1年11月30日
Molecular-dynamics simulations were used to investigate the storage capacity of hydrogen in single-walled carbon nanotubes (SWNT's) and the strain of nanotube under the interactions between the stored hydrogen molecules and the SWNT. The storage capacities inside SWNT's increase with the increase of tube diameters. For a SWNT with diameter less than 20 ?, the storage capacity depends strongly on the helicity of a the SWNT. The maximal radial strain of SWNT is in the range of 11%-18%, and depends on the helicity of the SWNT. The maximal strain of armchair SWNT's is less than that of zigzag SWNT's. The tensile strengths of SWNT's decrease with increasing diameters, and approach that of graphite (20 GPa) for larger-diameter tubes.
-
34浏览
-
0点赞
-
0收藏
-
0分享
-
127下载
-
0
-
引用
【期刊论文】Growth and defect formation of single-wall carbon nanotubes
夏曰源, Yueyuan Xia, Yuchen Ma, Yuelin Xing, Yuguang Mu, Chunyu Tan and Liangmo Mei
PHYSICAL REVIEW B VOLUME 61, NUMBER 16,-0001,():
-1年11月30日
The growth of narrow single-wall carbon nanotubes through adduction of small carbon clusters is studied using a molecular-dynamics simulation method. Statistical behavior of the growth and defect formation process is analyzed. For C2 dimer colliding onto the side-wall of narrow single-wall nanotubes, it is very easy to get the dimer to be incorporated into the network of the tube during annealing, forming localized topological defects. During long-time annealing at 2300K, thermal fluctuation can cause structural switching among different metastable states and thereby result in energy pulses in the energy vs time curve.
-
31浏览
-
0点赞
-
0收藏
-
0分享
-
107下载
-
0
-
引用