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62.
The behavior of ion-beam-induced crystallization of a buried amorphous layer created by means of MeV Si+ irradiation at 300℃ in Si(100) was studied by Rutherford backscattering and channeling technique. Sohd phase epitaxial crystallizations occurred from both the front and the back amorphous-crystalline(a/c) interfaces with the growth thickness being increased linearly with increasing dose of the annealing ion beam, Nuclear energy deposition was proved to play a dominant role in the process of ion-beam-induced crystallization. The high density of electronic excitation, which could enhance defect production near or at the a/c interface, may thus enhance the nuclearly normalized growth rate of ion-beam-induced crystallization at the front a/c interface. 相似文献
63.
64.
This paper
expounds the escape time algorithm of constructing general Mandelbrot sets from the
complex mapping z←zα+c(α<0). A series of interesting and rich families
of fractal images are generated by changing a single parameter α. The fractal images
consist of planetary structures with a central planet surrounded by satellite structures.
The positions and sizes of the planet and satellite structures are analytically estimated.
The embryonic satellite structure arising for non-integer values of α are also analysed.
In the end, a few conclusions are reached. 相似文献
65.
The behavior of ion-beam-induced crystallization of a buried amorphous layer created by means of MeV Si+ irradiation at 300℃ in Si(100) was studied by Rutherford backscattering and channeling technique. Sohd phase epitaxial crystallizations occurred from both the front and the back amorphous-crystalline(a/c) interfaces with the growth thickness being increased linearly with increasing dose of the annealing ion beam, Nuclear energy deposition was proved to play a dominant role in the process of ion-beam-induced crystallization. The high density of electronic excitation, which could enhance defect production near or at the a/c interface, may thus enhance the nuclearly normalized growth rate of ion-beam-induced crystallization at the front a/c interface. 相似文献
66.
67.
We theoretically show that H atoms can be chemically adsorbed onto the surface of the Si-C heterofullerene- based nanotubes. The adsorbing energy of the H atom on Si-C heterofullerene-based nanotubes is in the range of 4.28-5.66 eV without any barrier for the H atom to approach to the Si-C heterofullerene-based nanotubes. The band-gap of Si-C heterofullerene-based nanotubes can be dramatically modified by introducing dopant states, i.e., there is a transition from semiconductor to conductor of the Si-C heterofullerene-based nanotubes induced by the adsorption of the H atom. These results actually open a way to tune electronic properties of heterofullerene-based nanotubes and thus may propose an efficient pathway for band structure engineering. 相似文献
68.
李波 张占文 何智兵 高党忠 陈素芬 何小珊 赵学森 漆小波 刘一杨 王宗伟 刘梅芳 马小军 孟婕 冯建红 苏琳 陈永平 刘向东 李婧 李洁 《强激光与粒子束》2015,27(3):032024-211
激光惯性约束聚变的核心思想是利用球形内爆技术对聚变燃料进行增压,使热核燃料达到高温、高密度的等离子体状态,进而实现聚变点火。基于对称压缩、流体界面不稳定性和实验诊断的考虑,ICF实验对作为热核燃料容器的空心微球的品质在球形度、壁厚均匀性、表面粗糙度以及掺杂水平等方面提出了严格的要求。为满足这些要求,陆续发展了乳液微封装技术、降解芯轴技术、低压等离子体聚合/掺杂技术、干凝胶玻璃微球制备技术等用于多层塑料微球和空心玻璃微球的研制。另一方面,针对ICF靶丸量小、质轻以及表面要求高的特点,发展了相应的非破坏性靶丸参数表征技术,如X光照相技术、4π形貌表征技术、微球掺杂水平测量技术以及微球内燃料负载水平快速测试技术。基于这些制备与表征技术,初步实现了多层塑料微球、玻璃微球、聚-!-甲基苯乙烯芯轴微球、梯度掺杂CH微球的研制,满足了"神光Ⅱ"、"神光Ⅲ原型"及"神光Ⅲ主机"上开展的一系列内爆物理实验的要求,同时为未来点火物理实验用靶丸的研制提供了技术支撑。 相似文献
69.
Ab Initio Calculation on Self-Assembled Base-Functionalized Single-Walled Carbon Nanotubes 下载免费PDF全文
We perform ab initio calculations on the self-assembled base-functionalized single-walled carbon nanotubes (SWNTs) which exhibit the quasi-1D ‘ladder' structure. The optimized configuration in the ab initio calculation is very similar to that obtained from molecular dynamics simulation. We also calculate the electronic structures of the self-assembled base-functionalized SWNTs that exhibit distinct difference from the single-branch base-functionalized SWNT with a localized state lying just below the Fermi level, which may result from the coupling interaction between the bases accompanied by the self-assembly behaviour. 相似文献
70.
为计算相互作用较弱的分子碎片之间的耦合能,Harris从密度泛函理论出发,提出了一种简化方法,即冻结密度近似(FDA)方法.对该方法在描述分子间氢键作用的合理性进行了验证.对水分子间的HO┉H氢键、甲酰胺与水分子间的NH┉O氢键、二氟甲烷和水分子间的OH┉F氢键,以及DNA中的碱基(AT,GC)之间的N—H┉O,N—H┉N等类型的氢键的计算表明:若电子交换关联采用非定域自旋密度近似,FDA的计算结果同其他abinitio方法的计算结果以及实验结果都符合得很好.FDA在计算过程中既不需要求解泊松方程,也不需要进行反复的自洽迭代,所以运算速度较快,在研究生物大分子体系中的氢键相互作用方面具有一定的使用价值
关键词:
冻结密度近似
氢键
密度泛函 相似文献