激光照射下富烯稳定性的研究

本文研究了富勒烯固体在弱激光照射下随时间变化的拉曼光谱。结果表明，富勒烯固体在激光照射下随时间发生裂解形成石墨和无定形碳，同时发生了Ｃ６０的光致聚合效应。     

电场作用下C60富勒烯二聚体分子的几何构型与失效

采用分子力学与量子力学相结合的方法,模拟了电场作用下C60富勒烯二聚体(2C60)分子的几何构型与失效行为,讨论了三种不同方向外加电场对2C60分子几何变形、构型失效、电荷分布与极化偶极矩的影响,并与电场作用下C60富勒烯分子的几何变形与失效行为进行了对比.研究结果表明,2C60分子的几何变形与失效行为与外加电场的方向密切相关.当外加电场与2C60分子的桥接C-C键平行时,2C60分子很容易发生失效,且失效形式也十分独特.     

脉冲激光-铜靶等离子体产生及其演化过程的瞬态光谱研究

应用时间分辨光谱技术, 研究了高能量纳秒脉冲激光作用下铜靶表面等离子体产生及演化的物理过程. 实验中相互作用区固-气-液三相对激光能量的吸收明显地反映于激光反射强度随时间的演化中, 使得靶表面物质形态的改变导致激光反射强度随时间呈双峰分布.同时, 随着激光峰值功率密度的增加, 靶面等离子体(气)-固-液相变发生的时间相应提前.因此, 这些瞬态性质是诊断激光-固体靶相互作用中靶面物质相变时间的有效方法.     

光动力治疗中热效应的理论分析与计算

基于Pennes传热方程,从理论上分析了光动力治疗中激光作用所引起的组织温升的变化.结果表明,激光照射在生物组织内形成热源,该热源在一维生物组织空间引起组织的温升一般随时间呈指数形式增大,随激光照射处的距离呈指数减少.激光照射生物组织产生热效应,存在一个最小阈值光剂量,仅当照射的激光剂量大于阈值光剂量时,才能产生热效应.阈值光剂量大小由生物组织的光学参量和热物性参量决定,并随激光照射处的距离呈指数增加     

用非简并泵浦探测方法研究C70/甲苯溶液的激发态吸收动力学

通过非简并的时间分辨泵浦探测技术对C70富勒烯/甲苯溶液的非线性光学性质进行了研究。在532 nm波长的皮秒激光脉冲泵浦下,用600 nm的皮秒激光脉冲测量了C70富勒烯的激发态非线性吸收动力学响应。利用五能级模型对实验结果进行了数值模拟,得到了非简并情况下C70富勒烯分子的光物理参数。实验结果表明:C70富勒烯在简并和非简并情况下的激发态寿命没有变化,但非简并情况下的单重态吸收截面要比简并情况下单重态吸收截面小。     

基于二阶振动系统响应模型的激光制导信号动态模拟

针对载机平台上的激光目标指示器照射过程的动态响应及其模拟,利用高斯白噪声,通过由滤波器产生的有色噪声的方法模拟了目标指示器指示激光光斑抖动信号的统计平均特征,分别进行了抖动光斑位置随时间变化和在简化地物模型下漫反射信号强度随时间变化的动态模拟以及实际验证测试。经分析表明:在载机平台上,激光动态照射过程中的反射信号强度的变化是与平台相对于目标运动、目标表面的漫射特性和反射特性等因素相关的综合函数;基于二阶振动系统响应模型的方法可应用于激光目标指示器照射过程中的激光制导信号的大气传输和探测的动态模拟。     

对超短脉冲激光与固体密度等离子体相互作用动力学过程的研究

结合Saha方程,建立了一个超短脉冲激光与固体密度等离子体相互作用的动力学过程中电子温度和电子密度随时间变化的简单模型.在降温过程中采用绝热膨胀模型,讨论了等离子体在绝热膨胀过程中的特殊性质,考虑了离子声速随温度的变化,推算了状态演化过程,得到了电离度随时间变化的演化规律. 关键词： 超短超强脉冲激光 固体密度等离子体 电离度     

强激光照射下受预内压作用的球壳的热力响应

分析受强激光照射和预内压联合作用的球壳的热力效应。在光强相对较低的情形,激光照射处理为壳体表面热流输入。推导了瞬态热传导解析解;并选取一组典型的几何及材料参数,针对一系列激光光强情形用大型有限元程序对热传导和热弹塑性变形作了数值计算,得到了热传导的清晰的物理图象,讨论了壳体结构变形的空间分布和随时间的演变规律以及对激光光强和照射时间的依赖关系。     

Compton散射下强激光等离子体波前在固体中的传输特性

从多粒子系统量子力学理论出发,应用电子与多光子集团非弹性碰撞模型,研究了固体中形成的激光等离子体中的电子与入射光发生多光子非线性Compton散射下,散射光与入射光、电子振荡辐射波、离子的长光学横波的高频支形成的耦合等离子体波前的传输特性。结果表明,固体中激光等离子体电磁耦合声子的传播速度随磁场强度的增强、电子屏蔽作用的减弱及等离子体振荡频率的减小而变大,而散射光却使电磁耦合声子传播速度的这种增长效应降低,它随时间的增加也较缓慢地降低。     

不同激光参数照射下血管中血栓的演变

目前,激光是治疗葡萄酒色斑(Port Wine Stain,PWS)最有效的疗法。然而,由于选择性光热效应机理研究的欠缺,PWS的临床彻底清除率依然很低(<20%)。本文利用鼠脊视窗模型研究了不同激光参数照射下血管中光凝块和血栓的演变规律,以期为开发新的治疗策略提供依据。实验结果表明,Nd:YAG激光(1064 nm)照射后血管中只出现光凝块。长脉宽532nm激光照射后血管中首先形成光凝块,随着光凝块的流走,血栓产生并粘着血管壁。血栓面积随时间先增大后减小,存在时间长达4 h以上。短脉宽532 nm激光照射后,则形成非粘着血管壁血栓并随血流流走。由于形成完全堵塞血管的血栓是清除血管的前提,长脉宽532 nm激光联合抗血栓药物治疗PWS有望改善激光治疗PWS疗效。     

C60与聚乙烯咔唑（PVK）键合物和共混物在紫外激光作用下的碳笼增强融合

用飞行时间质谱测量３０８ｎｍ激光熔蚀Ｃ６０化学修饰的聚乙烯咔唑（Ｃ６０－ＰＶＫ）与Ｃ６０／聚乙烯咔唑共混物（Ｃ６０／ＰＶＫ）的产物分布，分析了正负离子质谱，发现明显的碳笼融合现象。比较分析了融合过程的增强机理，认为Ｃ６０与ＰＶＫ间的化学键合以及电荷转移络合分别在Ｃ６０－ＰＶＫ键合物和Ｃ６０／ＰＶＫ共混物的富勒烯融合过程中起了重要作用。     

Properties of Nd：YAG Laser with the Nonlinear Absorption of the Intracavity Fullerenes

ＰｒｏｐｅｒｔｉｅｓｏｆＮｄ：ＹＡＧＬａｓｅｒｗｉｔｈｔｈｅＮｏｎｌｉｎｅａｒＡｂｓｏｒｐｔｉｏｎｏｆｔｈｅＩｎｔｒａｃａｖｉｔｙＦｕｌｌｅｒｅｎｅｓ￥ＬＵＯＴｉｎｇ；ＹＵＺｈｅｎｘｉｎ（ＳｔａｔｅＫｅｙＬａｂｉｒａｔｏｒｙｏｆＵｌｔｒａｆａｓｔＬａ...     

Observation of "Stick" and "Handle" intermediates along the fullerene road

The hypothesis that fullerenes grow in a carbon plasma by the addition of C2 units (the "fullerene road") has been widely acclaimed as the most plausible mechanism for formation of larger fullerenes including C60 and C70. Calculations suggest that the association of C2 with fullerenes proceeds through two classes of intermediates, "sticks" and "handles." Here we report the observation of these species using high-resolution ion-mobility measurements for C(n) cations generated by laser vaporization of graphite and laser desorption of C60. Sticks with up to eight-atom chains have also been found.     

DSC study of annealing and phase transformations of C60 and C70 polymerized under pressures in the range 9.5-13 GPa

C₆₀ and C₇₀ fullerenes polymerized under pressures between 9.5 and 13 GPa and temperatures between 670 and 1850 K were investigated by differential scanning calorimetry (DSC) in the range 240-640 K. Endothermal heat effects were observed with a peak maximum just below 540 K, a temperature characteristic for breakdown of (2+2) intermolecular links in dimers, 1D and 2D polymers. Exothermal effects, starting from 380 K, were observed for the first time in polymeric fullerenes. These effects are attributed to relaxation processes and to breakdown of other types of intermolecular bonds such as common four-sided rings and (3+3) interlinks.     

Functionalization of pentagon–pentagon edges of fullerenes by cyclic polysulfides: A DFT study

We have performed a computational study to investigate the cyclosulfurization of the pentagon–pentagon (p–p) junctions in the non-IPR fullerenes C₆₀(D₃) and C₇₀(C_2v), and also Stone-Wales defective C₆₀ fullerene. Our results indicate the exothermic character of cyclosulfurization processes which can be related to the increase of pyramidalization angle (spherical excesses) and p characters of natural hybrid orbitals of C atoms at the p–p junctions. In fact these lead to the structural strain relief and stability of the cyclosulfurization derivatives of the non-IPR fullerenes. Moreover, the cyclosulfurization reaction of p–p bonds on the C₇₀(C_2v) is more energetically favorable than that of C₆₀(D₃), due to the higher curvature of carbon sites and the larger values of the p characters of natural hybrid orbitals in the C₇₀(C_2v). On the other hand, localization of the excess electrons on the C atoms at the p–p junctions leads to the low tendency of the charged non-IPR fullerenes to cyclosulfurization process. The desulfurization pathway of the exohedral derivatives of C₇₀(C_2v) indicates that it is energetically unfavorable for the functionalized fullerenes to break into individual fullerene and sulfur molecules. HOMO–LUMO gaps almost are independent of the number of pentathiepin rings while sensitive to the type of parent fullerene.     

C40富勒烯分子的电子结构与传输特性研究

本文采用密度泛涵理论对富勒烯C40分子进行了结构优化,得到了稳定构型,然后构建了以金原子面为电极的电子输运模型．使用非平衡格林函数方法对构建的电子输运模型进行了电子输运性质的计算,得到了电子透射谱和伏安曲线,并分析了分子器件产生电子输运性质的原因. 研究结果发现：C40富勒烯的化学活性明显强于富勒烯C60和C32分子,在一些分子能级处,该分子为一个良导体．     

Calcium as the superior coating metal in functionalization of carbon fullerenes for high-capacity hydrogen storage

We explore theoretically the feasibility of functionalizing carbon nanostructures for hydrogen storage, focusing on the coating of C60 fullerenes with light alkaline-earth metals. Our first-principles density functional theory studies show that both Ca and Sr can bind strongly to the C60 surface, and highly prefer monolayer coating, thereby explaining existing experimental observations. The strong binding is attributed to an intriguing charge transfer mechanism involving the empty d levels of the metal elements. The charge redistribution, in turn, gives rise to electric fields surrounding the coated fullerenes, which can now function as ideal molecular hydrogen attractors. With a hydrogen uptake of >8.4 wt % on Ca32C60, Ca is superior to all the recently suggested metal coating elements.     

Dissociation energy for C(2) loss from fullerene cations in a storage ring

We have stored positively charged fullerene ions C(+)(n) (n even, from 48 to 70 and 76), C(2+)(60) and C(2+)(70) in an electrostatic storage ring and have measured the rate of emission of neutral fragments as a function of time. In the time range of the measurements, 50 micros to a few milliseconds, the rate decreases strongly due to radiative cooling of the molecules. Using the cooling rate predicted from a dielectric model, we have extracted the dissociation energies for C(2) loss from the measurements. As expected, the energies are largest for the "magic" fullerenes, C(50), C(60), and C(70), and the value of 9.8+/-0.1 eV for C(2) loss from C(+)(60) is in reasonable agreement with theory and with other recent experiments.     

Magnetic fullerenes inside single-wall carbon nanotubes

C(59)N magnetic fullerenes were formed inside single-wall carbon nanotubes by vacuum annealing functionalized C(59)N molecules encapsulated inside the tubes. A hindered, anisotropic rotation of C(59)N was deduced from the temperature dependence of the electron spin resonance spectra near room temperature. Shortening of the spin-lattice relaxation time T(1) of C(59)N indicates a reversible charge transfer toward the host nanotubes above approximately 350 K. Bound C(59)N-C(60) heterodimers are formed at lower temperatures when C(60) is coencapsulated with the functionalized C(59)N. In the 10-300 K range, T(1) of the heterodimer shows a relaxation dominated by the conduction electrons on the nanotubes.