氢分子团簇的研究进展及其应用简

氢分子是宇宙中结构最简单、数量最多的分子,氢分子团簇是分子团簇结构和动力学的研究原型.同时,氢作为激光核聚变和托克马克受控热核聚变的原料,氢分子团簇对聚变的效率有很大的影响.本文介绍了氢分子团簇在基础研究、超流体研究、托克马克研究和激光核聚变研究中的研究意义、研究内容和研究现状.     

激光烧蚀Al等离子体与甲醇团簇反应中 (CH3OH)nCH3O－的形成

激光烧蚀-分子束(LA-MB) 法是研究金属离子与分子团簇反应的有效方法。在气相条件下,用飞行时间质谱观测到激光烧蚀Al等离子体与脉冲分子束超声膨胀产生的甲醇团簇碰撞反应生成的(CH3OH)nCH3O－(n=3~23)团簇负离子。实验发现,此序列的团簇负离子主要生成于烧蚀激光作用于脉冲分子束的后段,(CH3OH)3CH3O－离子强度始终远远大于其后的离子,并且这些离子随尺寸大小的分布变化平缓。结合量化计算,在B3LYP/6-31G(d)水平上得到(CH3OH)nCH3O－(n=1~4)的可能几何构形,并推断(CH3OH)3CH3O¯为一幻数结构。     

激光溅射Ni等离子体与气相CH3OH团簇的反应

用激光溅射 分子束技术研究了气相中Ni的等离子体与甲醇分子团簇的反应 .观察到Ni+ (CH3 OH) n、NiO+ (CH3 OH) n、H+ (CH3 OH) n、H3 O+ (CH3 OH) n 四个种类的团簇正离子和CH3 O-(CH3 OH) n(n≤ 2 5 )一种团簇负离子 .详细考察了激光烧蚀等离子体作用于脉冲分子束的不同位置时 ,对团簇产物种类和团簇尺寸大小的影响 .发现NiO+ (CH3 OH) n 是由Ni+ (CH3 OH) n 团簇内的脱甲烷反应生成的 ,而H+ (CH3 OH) n、H3 O+ (CH3 OH) n主要是激光等离子体中的电子与甲醇团簇碰撞电离产生的     

碱金属钠原子修饰硅原子团簇的结构及储氢性能研究

提出碱金属钠原子修饰笼形Si_6团簇的结构模型,采用密度泛函理论(DFT)研究钠原子修饰笼形Si_6团簇的结构及储氢性能.研究结果表明,氢分子与笼形Si_6团簇表面相互作用很弱,氢分子在其表面容易脱附.采用钠原子修饰笼形Si_6团簇后可有效避免氢分子的脱附,并且钠原子在笼形Si_6团簇的表面不发生团聚,有利于氢分子在其表面吸附和循环利用.研究发现在两个钠原子修饰笼形Si_6团簇的结构中,每个钠原子可以有效吸附六个氢分子.计算得到Na2Si_6团簇结构储氢的质量分数高达10.08 wt%,且氢分子的平均吸附能约为0.837 kcal/mol.可见,实现钠原子修饰笼形Si_6团簇结构在常温常压条件下储氢是有可能的.     

激光烧蚀Al等离子体与甲醇团簇反应中(CH3OH)nCH3O-的形成

激光烧蚀一分子束(LA-MB)法是研究金属离子与分子团簇反应的有效方法.在气相条件下,用飞行时间质谱观测到激光烧蚀Al等离子体与脉冲分子束超声膨胀产生的甲醇团簇碰撞反应生成的(CH30H)nCH3O-(n=3～23)团簇负离子.实验发现,此序列的团簇负离子主要生成于烧蚀激光作用于脉冲分子束的后段,(CH3OH)3CH3O-离子强度始终远远大于其后的离子,并且这些离子随尺寸大小的分布变化平缓.结合量化计算,在133LYP/6-31G(d)水平上得到(CH3OH)nCH3O-(n=1～4)的可能几何构形,并推断(CH3OH)3CH3O-为-幻数结构.     

吡啶团簇的飞秒光电离和从头计算研究

用飞秒激光电离飞行时间质谱研究了吡啶分子团簇在 4 0 0nm波长下的多光子光电离 ,实验观测到一系列的质子化和非质子化团簇离子 .结果表明 ,质子转移也能发生在弱氢键结合的分子间 .通过分析离子峰宽和离子信号强度随气源压力的变化 ,得到质子化团簇离子来源于大团簇离子的碎裂 ,而非质子化团簇离子是中性团簇直接电离的结果 .从头计算结果表明 ,吡啶团簇是通过弱氢键C -H…N结合在一起的 ,并且团簇离子离解倾向于生成质子化产物     

部分物理学国家重点实验室和部门开放实验室简介(Ⅲ)

激光光谱实验室 实验室主任:刘颂豪 学术委员会主任:王大珩 地址:230031 合肥,中国科学院安 徽光学精密机械研究所 电话:91534 中国科学院安徽光学精密机械研究所激光光谱开放研究实验室于1985年7月批准正式开放.实验室的研究方向和主要研究内容 该实验室的研究方向为高灵敏度、高选择性探测的激光光谱学.特别强调在资源勘探、燃烧过程、大气环境污染及生物医学等具有重大经济意义和社会效益的研究中作出贡献.研究内容涉及原子、分子的高激发态,原子离子、分子离子、准分子和范德瓦耳斯分子或分子团簇,自由基和瞬态粒子,生物和有机分子的激…     

丙酮分子团簇(CH3COCH3)n(n=6,7)的稳定构型

用密度泛函(DFT)理论方法研究了丙酮分子团簇(CH3COCH3)n(n=6,7)的稳定构型及与各构型相应的能量。根据稳定构型的稳定性顺序推测了丙酮分子团簇结构的增长趋势。     

胸腺嘧啶-水分子团簇结构特性研究

根据量子化学理论,应用Gaussian09W程序中密度泛函理论(DFT)B3LYP方法,在6-311++G(d,p)基组水平上,研究了胸腺嘧啶与水分子团簇C_5H_6N_2O_2·(H_2O)n(n=1~4)分子团簇的基态结构以及红外光谱.通过对C_5H_6N_2O_2·(H_2O)n(n=1~4)分子团簇的结构优化,获得了团簇最稳定的结构.AIM程序分析表明:分子团簇间形成了氢键,而且电子密度ρ的强弱也反映了红移和蓝移的大小.之后使用Veda4软件对C_5H_6N_2O_2·(H_2O)n(n=1~4)分子团簇红外光谱的振动频率进行了分析,并对振动频率进行了比较.最后,分析四种最稳定结构的分子团簇的红外光谱表明O-H…O和N-H…O氢键的形成使得O-H和N-H之间伸缩频率减小,发生了红移;O-H…N氢键使O-H之间的弯曲振动频率变大,发生了蓝移.     

显现超流体最初端倪的分子--氦团簇

最近 ,文章作者所在的研究小组发表了数篇关于氦原子数多达二十的气相分子团簇的振动转动光谱的实验观测 .研究结果表明 ,N2 O分子和CO2 分子的氦团簇在氦原子数为 7个和 6个时就分别显示出分子超流体现象的开端 .文章简要地介绍了这些实验光谱观测的最新进展及其背景和物理意义     

Interaction of intense laser pulses with hydrogen atomic clusters

The interaction between intense femtosecond laser pulses and hydrogen atomic clusters is studied by a simplified Coulomb explosion model. The dependences of average proton kinetic energy on cluster size, pulse duration, laser intensity and wavelength are studied respectively. The calculated results indicate that the irradiation of a femtosecond laser of longer wavelength on hydrogen atomic clusters may be a simple, economical way to produce highly kinetic hydrogen ions. The phenomenon suggests that the irradiation of femtosecond laser of longer wavelength on deuterium atomic clusters may be easier than that of shorter wavelength to drive nuclear fusion reactions. The product of the laser intensity and the squared laser wavelength needed to make proton energy saturated as a function of the squared cluster radius is also investigated. The proton energy distribution calculated is also shown and compared with the experimental data. Our results are in agreement with the experimental results fairly well.     

HL-1M装置高气压超声分子束加料效果

超声分子束注入作为一种新的托卡马克加料方法,已成功地开发和应用于环流器新一号(HL1M)和超导托卡马克HT7.近期开展的高气压超声分子束注入实验,在束流中发现了团簇流,其注入等离子体深度超过17cm.电子密度上升率接近于小型冰弹丸加料.多脉冲超声分子束注入形成电子密度阶梯形上升,类似于多弹丸加料效果,电子温度剖面呈中空分布.描述了在HL1M装置同一次欧姆放电等离子体中超声分子束与冰弹丸加料效果的实验比较. 关键词： 超声分子束 托卡马克 团簇 加料     

Multi-Channel FIR HCN Laser Interferometer on HT-7 Tokamak

A Five-channel far-infrared (FIR) hydrogen cyanide (HCN) laser interferometer was developed to measure plasma electron density profile on the HT-7 superconducting tokamak. The structure of the five-channel FIR laser interferometer is described. The laser source used in the interferometer was a continuous wave glow discharge HCN laser with 3.4 m cavity length and 100 mW power output at 337 m wavelength. The temporal resolution was 0.1 ms and the detection sensitivity was 1/12 fringe. Preliminary experimental results measured by the interferometer on HT-7 tokamak are reported.     

Nuclear fusion driven by coulomb explosions of large deuterium clusters

Recent experiments on the interaction of intense, ultrafast laser pulses with large van der Waals bonded clusters have shown that these clusters can explode with substantial kinetic energy. By driving explosions in deuterium clusters with a 35 fs laser pulse, we have accelerated ions to sufficient kinetic energy to produce DD nuclear fusion. By diagnosing the fusion yield through measurements of 2.45 MeV fusion neutrons, we have found that the fusion yield from these exploding clusters varies strongly with the cluster size, consistent with acceleration of deuterons via Coulomb explosion forces.     

飞秒激光氘团簇聚变

简要介绍了原子团簇的产生方法和特点以及激光惯性约束核聚变的基本原理,氚团簇在飞秒激光的作用下,大量吸收激光能量,产生了高离化态高能离子,从而实现了氚团簇桌面台式聚变。     

Review of LIBS application in nuclear fusion technology

Nuclear fusion has enormous potential to greatly affect global energy production. The next-generation tokamak ITER, which is aimed at demonstrating the feasibility of energy production from fusion on a commercial scale, is under construction. Wall erosion, material transport, and fuel retention are known factors that shorten the lifetime of ITER during tokamak operation and give rise to safety issues. These factors, which must be understood and solved early in the process of fusion reactor design and development, are among the most important concerns for the community of plasma–wall interaction researchers. To date, laser techniques are among the most promising methods that can solve these open ITER issues, and laser-induced breakdown spectroscopy (LIBS) is an ideal candidate for online monitoring of the walls of current and next-generation (such as ITER) fusion devices. LIBS is a widely used technique for various applications. It has been considered recently as a promising tool for analyzing plasma-facing components in fusion devices in situ. This article reviews the experiments that have been performed by many research groups to assess the feasibility of LIBS for this purpose.     

Study on the interaction of intense femtosecond laser pulses with nanometre-sized hydrogen clusters

The interaction of intense femtosecond laser pulses with hydrogen clusters has been experimentally studied. The hydrogen clusters were produced from expansion of high-pressure hydrogen gas (backed up to 8\tm10⁶Pa) into vacuum through a conical nozzle cryogenically cooled by liquid nitrogen. The average size of hydrogen clusters was estimated by Rayleigh scattering measurement and the maximum proton energy of up to 4.2keV has been obtained from the Coulomb explosion of hydrogen clusters under 2×10¹⁶ W/cm² laser irradiation. Dependence of the maximum proton energy on cluster size and laser intensity was investigated, indicating the correlation between the laser intensity and the cluster size. The maximum proton energy is found to be directly proportional to the laser intensity, which is consistent with the theoretical prediction.     

超声喷流氩氢混合团簇特性研究

利用瑞利散射方法研究了超声喷流Ar-CH4混合团簇和超声喷流Ar-H2混合团簇的特性.通过测量不同混合比例和不同背压下所形成混合团簇的散射信号发现,当用Ar气和CH4的混合气体进行超声喷流时很容易形成Ar-CH4混合团簇,当Ar气含量为50%时混合团簇尺度最大且大于相同气压下纯Ar团簇尺度和纯CH4团簇尺度.实验发现,与纯H2团簇只能在低温条件下获得不同,常温下即可形成Ar-H2混合团簇,实现了常温下含氢团簇的获取,从而有效降低了制备成本.在H2含量大于40%时混合团簇开始形成并在60%时达到最大尺度.含氢(氘)混合团簇在氢(氘)团簇的基础上引入了更重的异核Ar元素,在激光氘团簇聚变实验中它将进一步加速氘离子从而获得更高的能量,并具有更高的中子产额和聚变效率.     

Theoretical Exploration of the Isotopic Effect on Molecular High-Order Harmonic Generation

The isotopic effect on the generation of the molecular high-order harmonics is studied by numerically solving the one-dimensional time-dependent Schrödinger equation when the model hydrogen molecule ions/hydrogen deuterium molecule ions are exposed to an intense laser pulse. To explain the effect more clearly, not only the ionization probabilities but also the electron–nuclear probability density distributions and time-frequency profiles are calculated. The results show that more intense harmonics are generated in the asymmetric diatomic molecule ions/hydrogen deuterium molecule ions than those of hydrogen molecule ions. Moreover, the interference minimum in the harmonic spectra is investigated by adjusting the laser intensity and the initial vibrational state. It is shown that the interference minimum is sensitive to the laser intensity and the initial vibrational level for hydrogen molecule ions; in contrast, it is only dependent on the initial vibrational level for hydrogen deuterium molecule ions.