In the way based the scientific and tecdrical talks on i presided at and panicipated in , the graduation theis included a p1entful thets in recent years wtll be divided into three parts for depiction conxteniently and clearly , according to the content as fo1lowsf ( l ) the study of shock compression properties with the drixtiir - liquid co and n , experimentally ( 2 ) the study of the phenomenon of excess heat produced by deuteriurn atoms entering into the lattice of titaluxn experimentally ( 3 ) the calcujation for the electronic structure and energy of hydrogen atoms cluster ffi . the mainstream in the first part of the paper is to exposure some experimental tecndques in high pressure and high temperatur shock compression physics , including by using a cryo - target cooled down circulating steaxned n , to condense the well - proportioned mixed liquid sample from pure gas co and n = with equal molar voiurne 根据近几年所承担和参加的科研任务，将研究成果总结写成的论文按以下三个部分叙述： ( 1 )液体co和n _ 2混合物冲击压缩特性的实验研究(由国防科技重点实验室基金项目96js75 . 2 . 1 . jw1902资助) ( 2 )重氢原子进入钛晶格中引起过热现象的实验研究(由国家自然科学基金10145002资助) ( 3 )氢原子团簇h _ 9的电子结构与能量计算第一部分以高温高压冲击波物理实验为主，采用自行研制的低温循环汽冷靶冷凝制样技术由高纯co和n _ 2气体获取等摩尔体积均匀混合的液体冲击初态样品。
In the paper , li5mn4o83 + li5mn12o24 - , li5mn16o32 + , li17mn16o329 + clusters selected by " seed atoms " were calculated theoretically by means of the quantum chemical dv - xa calculation method . form the angle of electronic structure , the status of lithium ion and the electrochemical properties of lixmn2o4 were discussed preliminarily according to different conditions ( x = l , 2 ) . based on calculation results , it ' s found that the jahn - teller distortion , which was thought to lead to poor cyclability , occurred during the discharge of lixmn204 , and we also confirmed the formation of a novel phase with low energy after overdischarge ( x = 2 ) 为了从微观上认识锰系正极材料的结构和电化学性能之间的关系，本文提出了采用量子化学离散变分x (方法，对结合“种子原子法”选取的li5mn4o83 + 、 li5mn12o24 - 、 li5mn16o32 + 、 li17mn16o329 +等锰系正极材料的原子团簇进行了理论计算，从电子结构上初步探讨了锂离子嵌入正极材料后的存在形式以及锂离子的嵌入对电极材料电化学性能的影响，同时还从结构上对锂离子电池的循环性能和容量进行了初步的讨论。
The influence of a static electric field was investigated systemic in three stratifications : the electron scope of single atom , multi - atom local effect and macro - materials character based on electron theory . the multi - scope effect of electric field on metals and alloys , such as the atomic energy , solute elements , microstructure and precipitates , fracture character , mechanic and physical properties , were studied with the purpose of finding the mechanism and the nature of the electric field 针对目前电场作用研究中的问题，本文以铝合金为研究对象，分别在三个不同尺度的理论范畴：单原子的电子理论，多原子(原子团簇)的微观局域效应，和材料宏、微观行为，系统的、多层次的研究了电场在电子层次，溶质行为，微观组织，以及宏观的断裂特征和性能等多个尺度的电场效应。
Usually the magneto - optical trap is used to obtain the cold atoms from the vapor . it is reported that experiments for obtaining the ultra - cold cesium atoms by optical molasses directly from the vapor cell without mot . the lowest temperature achieved for the cesium atomic cloud was 3k . the relationship between the temperature and the detuning of cooling laser was measured 报告了采用直接从铯蒸汽气室而不用磁光阱实现了光学粘团的方法。用此办法得到了3的铯的超冷原子团。这是我国目前用激光冷却方法得到的最低温度。
So we investigated the x - ray spectra of 3 d - 4f transitions of multiply charged xenon ions in chapter five . experimental quasi - continuum spectra in the range of 12 . 5 - 15 . 5a generated from the plasmas which produced by the intense picosecond irradiation of a gas of xenon clusters are reproduced well by the present theoretical work 论文第五章系统研究了xe ~ ( 24 + ) - xe ~ ( 27 + )离子的3d - 4f跃迁谱的结构，很好的重现了近来在短脉冲强激光照射氨原子团簇过程中产生的12 . 5一巧
The fusion mechanism of large deuterium clusters ( 100 ~ 1000 atoms / per cluster ) in super - intense ultra - short laser pulse field , coulomb explosions of micro - cluster in solids , gases and large - size clusters have been studied using the interaction of a high - intensity femtosecond laser pulses with large deuterium clusters , collision of high - quality beam of micro - cluster from 2 . 5mv van de graaff accelerator with solids , gases and large clusters 摘要用2 . 5mv静电加器提供的高品质微团簇束与固体、气体和大尺度团簇（ 100 - > 1000原子团簇）碰撞，超强飞秒激光与大尺度氘团簇相互作用，研究微团簇在大尺度团簇中的库仑爆炸特性，研究超短超强激光场中大尺度氘团簇的聚变机理。
At lower growth temperature , the lower extracting rate of carbon atoms from catalyst particles due to the lower activity of the catalysts resulted in more defects formed in carbon nanotubes . moreover , the lower transportation rate of carbon atoms in catalyst particles also made lots of carbon atoms deposited on the surfaces of grown carbon nanotubes , or on carbon wrapped catalyst particles , even to form amorphous carbon layers 在较低温度时，由于催化剂的活性较低，导致石墨面在生长过程中引入的缺陷较多；另一方面，碳原子在催化剂颗粒内迁移速率较低，使得多余的游离态碳原子(或原子团)可能在纳米碳管表面以非晶形式沉积，或者包覆催化剂使其“中毒”失去催化活性，或者直接形成非晶的碳纳米颗粒。
A computer simulation tracing study for the rapid cooling process of electronic material ga system consisting of 1000 atoms has been performed by using molecular dynamics mothod . adopting the honeycutt - andersen ( ha ) bond - type index method and the cluster - type index method , the bond - types and the basic cluster configurations formed by metal ga atoms have been analyzed 采用分子动力学方法对由1000个原子组成的电子材料ga原子系统的快速凝固过程进行了计算机模拟跟踪研究,运用ha键型指数法和原子团类型指数法分析了原子尺度上ga的成键类型和形成的基本原子团结构。
