飞秒强激光场中大尺寸氩团簇爆炸机理的实验研究

利用飞行时间谱，研究了在飞秒强激光场（60 fs，2×1016 W/cm2）作用下，大尺寸氩原子团簇Arn（n—=3×103—3×106原子/每团簇）的电离爆炸过程，测量了 团簇爆炸所产生的氩离子的平均能量与团簇尺寸（气体背压）的关系.实验发现，随着气体 背压的升高（团簇尺寸增大），氩离子的平均能量也相应升高.通过分析两个不同几何尺寸 锥形超声喷嘴所产生团簇爆炸后的离子能量，结合Hagena团簇尺寸规律，发现在激光参数保 持不变的情况下，离子的平均能量由团簇尺寸唯一确定.分析表明，团簇尺寸在3×105原 子/每团簇以下时，团簇膨胀的主要机理是库仑爆炸.随着团簇尺寸的进一步增大，团簇膨胀 机理将由库仑爆炸向流体动力学膨胀过渡，在3×105关键词： 原子团簇 飞秒强激光 库仑爆炸 流体动力学膨胀     

氘代乙烷团簇库仑爆炸产生高能氘核和中子的研究

采用简化库仑爆炸模型对强激光脉冲照射氘代乙烷团簇发生的库仑爆炸过程进行数值模拟,研究了氘代乙烷团簇爆炸产生的氘核动能、中子产额与团簇尺寸的关系,且与氘代甲烷团簇产生的氘核动能及中子产额进行了比较.研究表明,尺寸为5 nm的氘代乙烷团簇在发生库仑爆炸后氘核的最大动能为20.96 keV,获得的中子产额为6.31×105,比同尺寸氘代甲烷团簇产生的氘核最大动能及中子产额更大.因此相对于氘代甲烷团簇,大尺寸的氘代乙烷团簇更适合作为激光驱动团簇库仑爆炸获得高额中子的靶材,这与报道的实验推论相一致.     

模拟淬火算法结合Gupta势研究Rh_n(n=2～100)团簇的基态特性北大核心CSCD

采用Gupta多体势结合分子动力学模拟淬火方法及遗传算法、分别求解了Rhn(n=2～100)团簇的最低能几何结构及能量,结果表明:与模拟淬火方法所得最低能结构(视为基态结构)相比,当铑团簇尺寸为60以下时,遗传算法基本可以找到全部基态(除Rh50以外);但随团簇尺寸增大遗传算法寻找基态结构效率明显下降.通过系统分析淬火结构势能分布图得出模拟淬火算法寻找团簇基态能量(结构)的有效温度区间,同时也进一步说明了该方法在寻找团簇基态结构时与团簇尺寸的非简单依赖关系.     

模拟淬火算法结合Gupta势研究Rhn(n=2～100)团簇的基态特性

采用Gupta多体势结合分子动力学模拟淬火方法及遗传算法、分别求解了Rhn (n=2～100)团簇的最低能几何结构及能量,结果表明:与模拟淬火方法所得最低能结构(视为基态结构)相比,当铑团簇尺寸为60以下时,遗传算法基本可以找到全部基态(除Rh50以外);但随团簇尺寸增大遗传算法寻找基态结构效率明显下降.通过系统分析淬火结构势能分布图得出模拟淬火算法寻找团簇基态能量(结构)的有效温度区间,同时也进一步说明了该方法在寻找团簇基态结构时与团簇尺寸的非简单依赖关系.     

飞秒激光氘团簇库仑爆炸引发核聚变的机理研究

在超强飞秒激光与氘团簇的相互作用中，利用库仑爆炸模型，分析了可以引发核聚变的高能氘核产生的机理，提出了氘离子团簇膨胀尺寸与时间的关系式，计算了多种尺寸的氘团簇库仑爆炸时氘核的动能以及氘团簇的解体时间． 关键词： 飞秒强激光 氘团簇 库仑爆炸 核聚变     

模拟淬火算法结合Gupta势研究Rhn(n=2~100)团簇的基态特性

采用Gupta多体势结合分子动力学模拟淬火方法及遗传算法、分别求解了Rhn（n=2～100）团簇的最低能几何结构及能量,结果表明：与模拟淬火方法所得最低能结构（视为基态结构）相比,当铑团簇尺寸为60以下时,遗传算法基本可以找到全部基态(除Rh50以外）;但随团簇尺寸增大遗传算法寻找基态结构效率明显下降．通过系统分析淬火结构势能分布图得出模拟淬火算法寻找团簇基态能量（结构）的有效温度区间,同时也进一步说明了该方法在寻找团簇基态结构时与团簇尺寸的非简单依赖关系．     

同族Ni,Pd小团簇熔化过渡异常现象

本文运用恒温分子动力学方法及淬火技术,模型采用Gupta作用势,研究了包含相同原子数目的Nin和Pdn (n=13,55,147) 团簇的熔化特性。模拟结果表明：与Ni晶体熔点低于Pd晶体熔点相比,体现出团簇熔化过渡异常现象：包含相同原子数的Ni团簇的熔点高于Pd团簇的熔点。随着团簇原子数的增加,Ni团簇和Pd团簇的熔点的差值在逐渐缩小。我们研究的三个尺寸的Ni团簇的熔点的范围大致为870K～1220K,而Pd团簇的熔点范围大致为650K～840K;相应三个尺寸的Ni团簇的基态与第一激发态能量差值范围为0.65eV～1.03eV,Pd团簇的基态与第一激发态能量差值范围为0.38eV～0.57eV。具有相同原子数目的Ni团簇的基态和第一激发态能量的差值都大于Pd团簇的基态和第一激发态能量差值,我们认为这是造成这种熔化过渡异常的主要原因。     

磁控溅射气体团簇源中团簇形成的DSMC研究

利用直接模拟蒙特卡洛方法(DSMC) ,模拟了磁控溅射气体团簇源中Cu+ (Cu-)的含量比例不同的条件下,Cu团簇的尺寸分布。模拟结果表明：随着含量比例的增加,团簇的尺寸分布变窄了,不带电的团簇的比例增加,不带电的铜团簇分布的最大值减小,相应的带正电荷和带负电荷团簇的比例减小;相同的含量比例下,带正电的团簇的尺寸分布与带负电荷的团簇的尺寸分布基本相同;初始Cu- 比Cu+ 的含量比例大时,输出的主要是带负电荷的团簇,带正电荷和不带电的团簇占很小的比例;Cu-含量比例的增加,负Cu团簇的尺寸分布减小。     

磁控溅射气体团簇源中团簇形成的DSMC研究

利用直接模拟蒙特卡洛方法(DSMC) ,模拟了磁控溅射气体团簇源中Cu+ (Cu-)的含量比例不同的条件下,Cu团簇的尺寸分布。模拟结果表明：随着含量比例的增加,团簇的尺寸分布变窄了,不带电的团簇的比例增加,不带电的铜团簇分布的最大值减小,相应的带正电荷和带负电荷团簇的比例减小;相同的含量比例下,带正电的团簇的尺寸分布与带负电荷的团簇的尺寸分布基本相同;初始Cu- 比Cu+ 的含量比例大时,输出的主要是带负电荷的团簇,带正电荷和不带电的团簇占很小的比例;Cu-含量比例的增加,负Cu团簇的尺寸分布减小。     

CdnOn（1≤n≤16）团簇光谱与电子性质的含时密度泛函理论研究

采用含时密度泛函理论对CdnOn（1≤n≤16）团簇的吸收光谱,能隙（HOMO-LUMO）及电子性质进行了模拟分析. 结果表明,当n≤3时,团簇的最低能量结构为平面结构,当4≤n≤16时,团簇的最低能量结构为三维笼状结构. 随着CdnOn（1≤n≤16）团簇尺寸的增大,团簇的吸收光谱逐渐红移,表现出较强的量子尺寸效应. 团簇CdnOn（3≤n≤15）的吸收峰主要集中在可见光区. 团簇的对称性越高,团簇的吸收峰越集中.     

MEASUREMENT OF IONIC ENERGY FROM FEMTOSECOND LASER-HEATED ARGON CLUSTERS

The high backing pressure argon gases adiabatically expand into vacuum through a pulsed gas jet to nucleate into large clusters. The clusters were heated by a 45fs, 2.3×10¹⁶ Wcm^-2 Ti: sapphire laser. The high energy of the ions produced in the cluster explosion was measured using time-of-flight spectrometry. The maximum and average kinetic energy of the ions were 0.2MeV and ～12.5keV, respectively, indicating that the femtosecond laser interactions with argon clusters are more energetic than interactions with atoms and molecules.     

Dynamics simulation on interaction of intense laser pulses with atomic clusters

Under classical particle dynamics, the interaction process between intense femtosecond laser pulses and icosahedral noble-gas atomic clusters was studied. Our calculated results show that ionization proceeds mainly through tunnel ionization in the combined field from ions, electrons and laser, rather than the electron-impact ionization. With increasing cluster size, the average and maximum kinetic energy of the product ion increases. According to our calculation, the expansion process of the clusters after laser irradiation is dominated by Coulomb explosion and the expansion scale increases with increasing cluster size. The dependence of average kinetic energy and average charge state of the product ions on laser wavelength is also presented and discussed. The dependence of average kinetic energy on the number of atoms inside the cluster was studied and compared with the experimental data. Our results agree with the experimental results reasonably well.     

High-intensity femtosecond laser absorption by rare-gas clusters

The energy absorption efficiency of high-intensity (～10^{16}W/cm^2) femtosecond laser pulses in a dense jet of large rare-gas clusters has been measured. Experimental results show that the energy absorption efficiency is strongly dependent on the cluster size and can be higher than 90%. The measurement of the ion energy indicates that the average ion energies of argon and xenon can be as high as 90 and 100keV, respectively. The dependence of the average energy of the ions on the cluster size is also measured. At comparatively low gas backing pressure, the average ion energies of argon and xenon increase with increasing gas backing pressure. The average ion energy of argon becomes saturated gradually with further increase of the gas backing pressure. For xenon, the average ion energy drops a little after the gas backing pressure exceeds 9 bar (3.2×10^5 atoms/cluster). The result showing the existence of a maximum average ion energy has been interpreted within the framework of the microplasma sphere model.     

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.     

Overrun phenomenon and neutron yield in Coulomb explosion of deuterated alkane clusters driven by intense laser field

By using a simplified Coulomb explosion model, the laser-driven Coulomb explosion processes of three deuterated alkane clusters, i.e., deuterated methane(CD_4)_N, ethane(C_2D_6)_N and propane(C_3D_8)_N clusters are simulated numerically.The overrun phenomenon that the deuterons overtake the carbon ions inside the expanding clusters, as well as the dependence of the energetic deuterons and fusion neutron yield on cluster size, is discussed in detail. Researches show that the average kinetic energy of deuterons and neutron yield generated in the Coulomb explosion of(C_2D_6)_N cluster are higher than those of(CD_4)_N cluster with the same size, in qualitative agreement with the reported conclusions from the experiments of(C2 H6)_N and(CH4)_N clusters. It is indicated that(C_2D_6)_N clusters are superior to(CD_4)_N clusters as a target for the laser-induced nuclear fusion reaction to achieve a higher neutron yield. In addition, by comparing the relevant data of(C_3D_8)_N cluster with those of(C_2D_6)_N cluster with the same size, it is theoretically concluded that(C_3D_8)_N clusters with a larger competitive parameter might be a potential candidate for improving neutron generation. This will provide a theoretical basis for target selection in developing experimental schemes on laser-driven nuclear fusion in the future.     

Three-dimensional simulation on explosions of hydrogen atomic clusters irradiated by an intense femtosecond laser pulse

Using classic particle dynamics simulations, the interaction process between an intense femtosecond laser pulse and icosahedral hydrogen atomic clusters H_{13}, H_{55} and H_{147} has been studied. It is revealed that with increasing number of atoms in the cluster, the kinetic energy of ions generated in the Coulomb explosion of the ionized hydrogen clusters increases. The expansion process of the clusters after laser irradiation has also been examined, showing that the expansion scale decreases with increasing cluster size.     

飞秒强激光场中异核团簇的爆炸动力学

 利用Bathe过势垒模型,对飞秒强激光场中异核分子团簇((CH₄)_n,(CD₄)_n,(D₂O)n）的爆炸动力学过程进行了理论研究。结果表明:异核团簇爆炸后产生的离子能量与团簇初始半径的平方呈线性关系,爆炸机理为典型的库仑爆炸。研究发现,异核分子团簇发生库仑爆炸后的氘离子能量高于飞秒强激光和单核的(D)>)_n团簇相互作用后产生的氘离子能量,显示异核团簇中高Z元素电离后产生的高价离子对低Z元素离子有很强的加速作用。     

Studies of ion energy and yield from argon clusters heated by intense femtosecond laser pulses

Using time-of-flight spectrometry, the interaction of intense femtosecond laser pulses with argon clusters has been studied by measuring the energy and yield of emitted ions. With two different supersonic nozzles, the dependence of average ion energy on cluster size in a large range of has been measured. The experimental results indicate that when the cluster size , the average ion energy Coulomb explosion is the dominant expansion mechanism. Beyond this size, the average ion energy gets saturated gradually, the clusters exhibit a mixed Coulomb-hydrodynamic expansion behavior. We also find that with the increasing gas backing pressure, there is a maximum ion yield, the ion yield decreases as the gas backing pressure is further increased.     

High-Intensity Femtosecond Laser Interaction with Rare Gas Clusters

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