C20离子团簇在氧化物中穿行时库仑爆炸过程的理论研究

本文研究了C20团簇在几种金属氧化物(Al2O3,SiO2)中穿行时发生的库仑爆炸过程.采用线性介电响应理论,并结合Mermin形式的介电函数,得到了团簇中各组成离子的空间感应势,其中组成团簇中各组成离子的电荷分布情况由Brandt-Kitagawa有效电荷理论模型来描述.通过求解运动方程得到离子团结构随时间的演化过程,并采用Monte Carlo方法模拟了爆炸过程中的多重散射现象.我们发现,尾流效应使团簇的空间结构和电荷分布呈现非对称性.     

C20离子团簇在氧化物中穿行时库仑爆炸过程的理论研究

本文研究了C20团簇在几种金属氧化物（Al2O3，SiO2）中穿行时发生的库仑爆炸过程，采用线性介电响应理论，并结合Memfin形式的介电函数，得到了团簇中各组成离子的空间感应势，其中组成团簇中各组成离子的电荷分布情况由Brandt-Kitagawa有效电荷理论模型来描述。通过求解运动方程得到离子团结构随时间的演化过程，并采用Monte Carlo方法模拟了爆炸过程中的多重散射现象。我们发现，尾流效应使团簇的空间结构和电荷分布呈现非对称性。     

C60团簇与稠密等离子体相互作用的数值模拟

采用球壳层模型研究了C60团簇与稠密等离子体的相互作用.假定离子团中离子之间的位置矢量的取向是随机的,在线性化的伏拉索夫-泊松理论框架下,借助于经典的等离子体介电函数,推导出C60离子团簇的自能和阻止本领的解析表达式.通过数值求解离子团半径变化的运动方程,研究了团簇的库仑爆炸过程,并讨论了入射速度、等离子体密度和电子温度对自能、阻止本领和库仑爆炸的影响.结果发现自能中的尾流效应降低了C60团簇离子的库仑爆炸速度,甚至可以稳定C60团簇的结构.     

快速C60离子团在固体中的库仑爆炸过程Ⅱ分子动力学模拟

研究了快速C60 离子团与固体材料的相互作用过程 .借助于线性介电响应理论及等离子 极点近似介电函数 ,推导出作用在团簇中单个离子上的动力学相互作用力 ,并建立了一套描述离子团中单个离子运动的方程组 .通过数值求解运动方程组 ,可以发现 ,对于高速C60 离子团在固体中穿行时 ,由于动力学相互作用力的影响 ,使得库仑爆炸图形呈现出很强的非球对称性 ,即离子团中的导航离子群爆炸得较快 ,而尾随离子群则保持相对地稳定     

快速C60离子团在固体中的库仑爆炸过程Ⅱ——分子动力学模拟

研究了快速Ｃ₆₀离子团与固体材料的相互作用过程.借助于线性介电响应理论及等离子-极点近似介电函数,推导出作用在团簇中单个离子上的动力学相互作用力,并建立了一套描述离子团中单个离子运动的方程组.通过数值求解运动方程组,可以发现,对于高速Ｃ₆₀离子团在固体中穿行时,由于动力学相互作用力的影响,使得库仑爆炸图形呈现出很强的非球对称性,即离子团中的导航离子群爆炸得较快,而尾随离子群则保持相对地稳定. 关键词： 离子团 库仑爆炸 动力学相互作用     

C60团簇与等离子体相互作用的分子动力学模拟

用分子动力学模拟方法研究了C60团簇与稠密等离子体的相互作用。在线性化的伏拉索夫-泊松理论框架下,借助于经典的等离子体介电函数,推导了团簇的阻止本领的一般表达式。用数值方法求解了团中离子的运动方程,研究了团簇的库仑爆炸过程,讨论了入射速度、等离子体密度和电子温度对阻止本领和库仑爆炸的影响。结果发现尾流效应降低了C60团簇离子的库仑爆炸速度,甚至压缩了团簇的结构,在高速、低密、高温的情况下库仑爆炸进行得更快。     

快速C60离子团在固体中的库仑爆炸过程Ⅰ球壳层模型

研究了快速C60 离子团在固体中穿行时的库仑爆炸过程 .假定离子团中离子之间位置矢量的取向是随机的 ,并且采用球壳模型描述C60 离子团的结构 .借助于线性介电响应理论和等离子 极点近似介电函数 ,推导出C60 离子团自能的解析表达式 .通过数值求解描述离子团半径变化的运动方程 ,可以发现自能中的“尾效应”可以降低C60 离子团的库仑爆炸速度 ,甚至可以稳定C60 离子团的结构     

C60团簇与稠密等离子体相互作用的数值模拟

采用球壳层模型研究了C60团簇与稠密等离子体的相互作用．假定离子团中离子之间的位置矢量的取向是随机的，在线性化的伏拉索夫一泊松理论框架下，借助于经典的等离子体介电函数，推导出C60离子团簇的自能和阻止本领的解析表达式．通过数值求解离子团半径变化的运动方程，研究了团簇的库仑爆炸过程，并讨论了入射速度、等离子体密度和电子温度对自能、阻止本领和库仑爆炸的影响．结果发现自能中的尾流效应降低了C60团簇离子的库仑爆炸速度，甚至可以稳定C60团簇的结构．     

快速C60离子团在固体中的库仑爆炸过程Ⅰ——球壳层模型

研究了快速C₆₀离子团在固体中穿行时的库仑爆炸过程.假定离子团中离子之间位置矢量的取向是随机的,并且采用球壳模型描述C₆₀离子团的结构.借助于线性介电响应理论和等离子-极点近似介电函数,推导出C₆₀离子团自能的解析表达式.通过数值求解描述离子团半径变化的运动方程,可以发现自能中的“尾效应”可以降低C₆₀离子团的库仑爆炸速度,甚至可以稳定C₆₀离子团的结构. 关键词： 离子团 库仑爆炸 球壳模型     

飞秒强激光脉冲中氩团簇库仑爆炸特性研究

利用Bathe模型,理论模拟了氩团簇在飞秒强激光中(100 fs, 1016 W/cm2)的电离和爆炸过程.研究结果显示,在团簇尺寸较小时,离子平均能量与团簇初始半径平方成正比,爆炸机制为典型的库仑爆炸.随着团簇尺寸的增加,能量增加的速度趋缓并在一定团簇尺寸后趋于饱和.模拟结果与实验数据有较好的吻合.     

尾流效应对快速双原子分子离子在固体中电荷态及分子轴取向的影响

研究了快速双原子分子离子在固体中穿行时,尾流效应对各离子电荷态以及库仑爆炸过程的影响.借助于线性介电响应理论和局域介电函数,离子之间的动力学相互作用势可以表示成对称的屏蔽库仑势和非对称的尾势.通过对分子离子上所有束缚电子的总能量进行变分和求解单个离子的运动方程,自洽地确定出分子离子中每个离子的电荷态.数值结果表明,由于尾流效应的影响,在初始穿行阶段,分子离子中导航离子的电荷数随穿行深度的增加而单调递增,而尾随离子的电荷数则随穿行深度的增加而振荡.但当穿行深度很大时,两个离子的电荷数都趋于具有相同速度的孤立离子的电荷数.此外,还发现分子轴的取向朝入射速度方向偏转     

An association theory for the formation of ion oligomers and its application to 1-1 electrolytes

A theory for modelling electrolyte solutions which includes the formation of ion clusters of different size has been developed in the framework of the primitive model. In primitive models the solvent is described as a dielectric continuum and the solvent–solute interactions are neglected. For the dielectric constant the value of the pure solvent has been used. The ion cluster distribution is calculated from the mass action law. The association constants are related to integrals over the cluster distribution functions which are calculated with the Kirkwood superposition approximation from low density pair distribution functions. The ion clusters are defined by a certain distance which rules if two ions belong to the same cluster. This so-called Bjerrum distance is chosen according to fundamental investigations of the structure of ion cluster. All ion clusters are modelled as hard spheres. For the free ions and charged clusters the mean spherical approximation expression for the Coulomb interaction is added. The co-volumes of the ion clusters have been taken from the investigation of the ion cluster structures, and are consistent with the definition of an ion cluster chosen here.     

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。     

Energetic ion generation by Coulomb explosion in cluster gas and a low-density plastic foam with an intense femtosecond laser

The energy distributions of protons emitted from the Coulomb explosion of hydrogen clusters by an intense femtosecond laser have been experimentally obtained. Ten thousand hydrogen clusters were exploded, emitting 8.1-keV protons under laser irradiation of intensity 6 × 10¹⁶W/cm². The energy distributions are interpreted well by a spherical uniform cluster analytical model. The maximum energy of the emitted protons can be characterized by cluster size and laser intensity. The laser intensity scale for the maximum proton energy, given by a spherical cluster Coulomb explosion model, is in fairly good agreement with the experimental results obtained at a laser intensity of 10¹⁶–10¹⁷ W/cm² and also when extrapolated with the results of three-dimensional particle simulations at 10²⁰–10²¹ W/cm². Energetic proton generation in low-density plastic (C₅H₁₀) foam by intense femtosecond laser pulse irradiation has been studied experimentally and numerically. Plastic foam was successfully produced by a sol-gel method, achieving an average density of 10 mg/cm³. The foam target was irradiated by 100-fs pulses of a laser with intensity 1 × 10¹⁸ W/cm². A plateau structure extending up to 200 keV was observed in the energy distribution of protons generated from the foam target, with the plateau shape explained well by Coulomb explosion of lamella in the foam. The laser-foam interaction and ion generation were studied qualitatively by two-dimensional particle-in-cell simulations, which indicated that energetic protons are mainly generated by the Coulomb explosion. From the results, the efficiency of energetic ion generation in a low-density foam target by Coulomb explosion is expected to be higher than in a gas-cluster target.     

Ultrafast nuclear dynamics and non-uniform Coulomb explosion of heteroclusters

This paper reports on some unique features of the ion spatial distribution, energetics and time-resolved dynamics in Coulomb explosion of multicharged light-heavy heteroclusters, consisting of light, low-charge and heavy, high-charge, ions, e.g. hydroiodic acid [image omitted] and its isotopic substituents [image omitted] and [image omitted]. In these clusters, extreme multielectron ionization in ultraintense laser fields (peak intensity I = 1015 - 1020 W cm-2) results in highly charged heavy ions, e.g. qI ? 7 at I = 6×1015 W cm-2 and qI = 25 at I = 1019 W cm-2. Molecular dynamics simulations based on the cluster vertical ionization (CVI) initial conditions, together with complete simulations involving both electron and nuclear dynamics of heteroclusters subjected to a Gaussian laser pulse, which were conducted for Coulomb explosion of [image omitted] and [image omitted] ionic clusters, reveal expanding, thin, two-dimensional spherical shells of the light D+ or H+ ions, with the monolayer expansion occurring on the femtosecond time scale. The expanding spherical nanoshells of light ions are analogous to a 'soap bubble', characterized by negative surface tension and driven by Coulomb pressure. The energetic data for the light ions reveal high energies with a narrow energy distribution, characterized by a lower energy cut-off, e.g. average energy Eav = 23 keV at width ΔE/Eav = 0.16, and a cut-off energy of EMIN = 19.2 keV for Coulomb explosion of [image omitted] clusters. These dynamic, structural and energetic data for exploding multicharged light-heavy heteroclusters arise from kinematic overrun effects of the light ions.     

Coulomb explosion of CS_2 molecule under an intense femtosecond laser field

We experimentally demonstrate the Coulomb explosion process of CS_2 molecule under a near-infrared(800 nm)intense femtosecond laser field by a DC-sliced ion imaging technique. We obtain the DC-sliced images of these fragment ions S~+, S~(2+), CS~+, and CS~(2+)by breaking one C–S bond, and assign their Coulomb explosion channels by considering their kinetic energy release and angular distribution. We also numerically simulate the dissociation dynamics of parent ions CS_2~(k+)(k = 2–4) by a Coulomb potential approximation, and obtain the time evolution of Coulomb energy and kinetic energy release, which indicates that the dissociation time of parent ions CS_2~(k+) decreases with the increase of the charge number k.These experimental and theoretical results can serve as a useful benchmark for those researchers who work in the related area.