First-principles electron dynamics control simulation of diamond under femtosecond laser pulse train irradiation

A real-time and real-space time-dependent density functional is applied to simulate the nonlinear electron-photon interactions during shaped femtosecond laser pulse train ablation of diamond. Effects of the key pulse train parameters such as the pulse separation, spatial/temporal pulse energy distribution and pulse number per train on the electron excitation and energy absorption are discussed. The calculations show that photon-electron interactions and transient localized electron dynamics can be controlled including photon absorption, electron excitation, electron density, and free electron distribution by the ultrafast laser pulse train.     

脉冲激光诱导金属薄膜电离的分子动力学模拟

采用分子动力学方法模拟研究了激光诱导金属薄膜的电离过程,对激光等离子体形成早期原子的运动轨迹、薄膜表面的温度变化以及原子的电离特性进行了详细分析,并探究了脉冲激光参数对原子电离过程的影响.结果表明,在激光照射过程中,薄膜表面先熔化而后又气化,气化的原子继续吸收激光能量继而电离.激光的峰值功率密度越大,原子电离速率越快,电离数目越多,薄膜表面的温度越高.脉冲宽度越小,原子电离速率越快,薄膜表面的温度越高,但原子的电离数目先增加后减小.     

飞秒激光激发空气电离的阈值研究

报道在脉宽50fs—22ps，波长800nm脉冲激光作用下的空气电离阈值的研究结果.利用探测等离子体发光信号的方法，实验测量了激发空气电离所需的阈值激光强度.结果表明，当激光脉冲宽度从50fs增加到22ps时，阈值光强I_th从8.7×10¹⁴W/cm²下降到2.7×10¹³W/cm²；I_th经历了由迅速降低逐渐发展为缓慢降低的过程.在50fs—1p     

飞秒激光激发空气电离的阈值研究

报道在脉宽50fs—22ps,波长800nm脉冲激光作用下的空气电离阈值的研究结果.利用探测等离子体发光信号的方法,实验测量了激发空气电离所需的阈值激光强度.结果表明,当激光脉冲宽度从50fs增加到22ps时,阈值光强I_th从8.7×10¹⁴W/cm²下降到2.7×10¹³W/cm²;I_th经历了由迅速降低逐渐发展为缓慢降低的过程.在50fs—1p 关键词： 飞秒激光 阈值 多光子电离 碰撞电离     

Single and double ionization of gallium by electron impact

Electron impact single and double ionization cross sections of gallium have been calculated in the binary encounter approximation using accurate expression for σ_Δ;E including exchange and interference as given by Vriens and Hartree-Fock velocity distributions for the target electrons throughout the calculations. It is concluded that the ionization of 3d shell contributes partly to single ionization and partly to double ionization. The results so obtained show reasonably good agreement with the experimental data.     

Determination of structure parameters in strong-field ionization models of atoms

The Ammosov–Delone–Krainov (ADK) and Perelomov–Popov–Terent’ev (PPT) ionization models were widely used in strong-field physics and attosecond science due to their many attractive advantages such as simpler analytical formula, less computational demands, and satisfied accuracy of ionization rate. Based on the density-functional theory, we systematically determine accurate structure parameters of 25 atoms, 24 positive ions and 13 negative ions and tabulate for future applications. The wave function with correct asymptotic behavior is obtained by solving the time-independent Schrödinger equation with B-spline basis sets and the accurate structure parameters are extracted from this wave function in the asymptotic region. The accuracies of structure parameters are carefully examined by comparing the ionization probabilities (or yields) calculated by PPT and ADK models with those of solving the three-dimensional time-dependent Schrödinger equation and the experimental data.     

Electron dynamics and spatial characteristics of emission from electron oscillation driven by femtosecond laser pulses

The dynamics and characteristics of spatial distribution of emission are analyzed with a single electron model in the cases of different intensities and different polarized femtosecond laser pulses. It is discovered that with the increase of laser intensity, for circularly polarized laser pulse, the angular distribution is tipped forward more and more; for linearly polarized laser pulse, the radiation pattern is changed from the fourfold rotational symmetry bifoliate pattern same as that from a dipole antenna to twofold rotational symmetry trefoil pattern.     

Weak correlation theory of electron hydrogen atom ionization collisions

A hyperspherical partial wave method of Das to calculate cross sections for ionization of hydrogen atoms by electrons has been applied for low energies. Here effect of coupling among different partial waves is neglected.     

266 nm飞秒激光烧蚀单晶硅的分子动力学模拟

 基于Stillinger-Weber(SW)势和“x-分区”模型,用分子动力学方法模拟了266 nm飞秒激光烧蚀单晶硅的过程,给出了烧蚀过程的物理图像,烧蚀过程中材料内部缺陷的产生与发展最终导致整层材料被移除。对比研究了烧蚀材料中不同区域粒子的运动轨迹,结果体现了在固、液、气不同状态下粒子的运动特征。模拟了激光诱导应力波的传播,其速度为8.18 km/s。     

Non-equilibrium electron and phonon dynamics in metals under femtosecond laser pulses

Different models for relaxation dynamics of electrons and phonons in a thin metal film heated by femto-pico second laser pulses have been discussed. The traditional two-temperature approach reveals to be inaccurate due to deviations of electrons and phonons from Fermi-Dirac and Bose-Einstein distributions, respectively. Coupled Boltzmann kinetic equations have been adapted for the quantum statistics to study the energy distribution of electrons and phonons in metals. Theoretical details have been discussed and a new solution method has been proposed overcoming numerical problems and improving stability, allowing the study of the dynamics until the complete relaxation. Numerical results have been compared with photoemission spectroscopy experimental data.     

Electron dynamics triggered by double attosecond pulses: Simulations based on time-dependent density functional theory

In order to observe the high-field effect, the external laser field must reach its peak intensity before the electron ionization. To this end, it is important to reduce pulse duration to typical attosecond timescale. In this paper, the interaction electron dynamics between attosecond pulses and dielectric is investigated within the time-dependent density functional theory. Taking the CaF₂ crystal as an example, we give a comparison of electron dynamics response between single and double pulses. Moreover, the nonlinear energy absorption and electron excitation processes are simulated by adjusting the polarization direction of the sub-pulse. Present results demonstrate that the double pulses show lower electron excitation and energy absorption than the single pulse, which is in accordance with experimental higher ablation threshold and smaller heat-affected zones of the double pulses. In addition, the curves of final excited electron number and energy absorption exhibit the quasi-symmetry about the axis of 180°, which has not been reported yet.     

分子对飞秒激光场响应的含时密度泛函理论研究

采用含时密度泛函理论方法研究线性分子碳化锂(Li2C2)对飞秒激光场响应的电子-离子动力学行为.在典型的近共振和非共振的激光频率作用下,分别对比分析了分子的共振和非共振电离过程.研究发现:分子在共振频率激光场的作用下发生更强的电离过程,并倾向于发生库伦爆炸,键长的振荡断裂与电离相互促进影响,而分子在较弱的激光场作用下发生单光子电离过程;随着双脉冲时间间隔的增加,离化电子数在一定范围内呈振荡上升趋势,随后趋于常数.     

分子对飞秒激光场响应的含时密度泛函理论研究

采用含时密度泛函理论方法研究线性分子碳化锂（Li2C2）对飞秒激光场响应的电子-离子动力学行为。在典型的近共振和非共振的激光频率作用下,分别对比分析了分子的共振和非共振电离过程。研究发现：分子在共振频率激光场的作用下发生更强的电离过程,并倾向于发生库伦爆炸,键长的振荡断裂与电离相互促进影响,而分子在较弱的激光场作用下发生单光子电离过程;随着双脉冲时间间隔的增加,离化电子数在一定范围内呈振荡上升趋势,随后趋于常数。     

The dissociative ionization and Coulomb explosion of ethane by a femtosecond laser field

Femtosecond laser-induced dissociation and Coulomb explosion of polyatomic molecule C_2H_6 were systematically investigated using a time-of-flight mass spectrometer and a chirped pulse amplifier laser. With the laser intensity varying from 2.4×10^{15}W/cm^{2} to 1.2×10^{16}W/cm^2, strong molecular ions C_2H_n^+ (n=0－6) and atomic ions C^{m+} (m=1－3) signals were observed. The double-peak structure of atomic ions indicated the occurrence of Coulomb explosion. Compared with the nearly isotropic distribution of C^{+}, highly charged ions C^{m+} (m=2－3) exhibited a sharply anisotropic angular distribution, which was attributed to the geometric alignment.     

飞秒强激光场中水分子的电离激发

本文运用含时密度泛函理论和分子动力学非绝热耦合的方法, 研究了水分子在不同极化方向的激光场中的电离和动力学行为. 计算结果表明, 对应相同的极化方向, 随着激光强度的增加, 水分子的电离增强; 对于相同强度的激光, 当激光极化方向沿水分子对称轴方向时, 水分子的电离最强, 当激光极化方向垂直水分子对称轴方向时, 水分子电离受到最大程度的抑制. 对水分子偶极矩的研究表明, 当分子处于线性响应区域时, x方向的激光只能激发起x方向的偶极振动而y方向的激光只能激发起y方向的偶极振动. 对水分子的键长和键角的研究表明, 在激光场中水分子的键长变长, 键角变大, 但变化幅度随着激光极化角的增大而减小. 此外, 研究还发现, 虽然在不同极化方向的激光脉冲的驱动下, 水分子OH键的振动频率与激光频率相当, 在脉冲关闭后, 振动频率减小, 但激光场的极化方向对水分子振动模式具有选择性. 关键词： 含时密度泛函理论 分子动力学 水分子 电离     

等离子屏蔽效应下飞秒激光照射金箔的分子动力学模拟

采用耦合了双温度模型的分子动力学方法对飞秒激光烧蚀金箔的传热过程进行了模拟研究,考虑了非傅里叶效应,探究了不同激光能流密度下等离子体羽流的屏蔽作用.根据密度分布将激光烧蚀过程中的金箔划分为过热液体层、熔融液体层和固体层,并比较了不同激光能量密度下过热液体层表面发生的相爆炸沸腾现象以及表面温度的变化情况.结果表明,随着激光能量密度的增大,等离子体的屏蔽比例几乎呈线性增大.在激光的烧蚀过程中,金箔的上表面最先经历液体层以及过热液体层,并且随着时间的推移,液体层和过热液体层逐渐向金箔底部移动.过热液体层发生体积移除的相爆炸沸腾是金箔烧蚀的主要方式,随着激光能量的增大,爆炸沸腾发生的时间提前,并且结束的时间相应延后,持续时间变长.     

Multiphoton and tunneling ionization of atoms in an intense laser field

We study the ionization probabilities of atoms by a short laser pulse with three different theoretical methods,i.e.,the numerical solution of the time-dependent Schro¨dinger equation(TDSE),the Perelomov-Popov-Terent’ev(PPT) theory,and the Ammosov-Delone-Krainov(ADK) theory.Our results show that laser intensity dependent ionization probabilities of several atoms(i.e.,H,He,and Ne) obtained from the PPT theory accord quite well with the TDSE results both in the multiphoton and tunneling ionization regimes,while the ADK results fit well to the TDSE data only in the tunneling ionization regime.Our calculations also show that laser intensity dependent ionization probabilities of a H atom at three different laser wavelengths of 600 nm,800 nm,and 1200 nm obtained from the PPT theory are also in good agreement with those from the TDSE,while the ADK theory fails to give the wavelength dependence of ionization probability.Only when the laser wavelength is long enough,will the results of ADK be close to those of TDSE.     

Simulation of rippled structure adjustments based on localized transient electron dynamics control by femtosecond laser pulse trains

This study investigates the effects of pulse energy distributions on subwavelength ripple structures (the ablation shapes and subwavelength ripples) using the plasma model with the consideration of laser particle–wave duality. In the case studies, the laser pulse (800 nm, 50 fs) trains consist of double pulses within a train with the energy ratios of 1:2, 1:1, and 2:1. Localized transient electron densities, material optical properties, and surface plasmon generation are strongly affected by the energy distributions. Hence, the adjustment of the ablation shape and subwavelength ripples can be achieved based on localized transient electron dynamics control during femtosecond laser pulse train processing of dielectrics. The simulation results show that better, more uniform structures, in terms of ablation shapes and subwavelength ripples, can be easily formed at a lower fluence or subpulse energy ratio of 1:1 with a fixed fluence. It is also found that pulse trains at a 1:1 energy ratio are preferred for drilling high-aspect-ratio microholes or microchannels.     

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。