Laser Control of Molecular Electronics-Femto to Attosecond Science

分子电子学的激光控制——飞秒到阿秒科学

• 批准号: RGPIN-2014-04714
• 负责人: Bandrauk, Andre
• 金额: $ 4.95万
• 依托单位: Université de Sherbrooke
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2015
• 资助国家: 加拿大
• 起止时间: 2015-01-01 至 2016-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=587975
• 关键词: Laser; Control; Molecular; Electronics; Femto

Advances in modern laser technology allow for the generation of phase-controlled intense (few cycle) light pulses with which one can explore light-matter interactions in the nonlinear nonperturbative regime. The applications of this new technology for the development of a new science, Molecular Photonics, and the laser control of electronics in matter, requires advanced modelling and simulations using advanced high level parallel numerical algorithms. An important “spin-off” of this research, mainly theoretical and only recently experimental is the development of molecular high order harmonic generation, MHOHG as the main source of current attosecond (1 asec=10**-18s) pulses, from linear to even circular (as proposed recently by us) polarization. Attosecond pulses are the preferred tools for imaging, visualizing and controlling electrons on their natural timescale, the attosecond (the electron orbit period in the H atom is 152 asecs). Nuclear motion such as proton motion, the fastest atom in chemistry, biology, and materials has its own time scale of few femtoseconds (fs) which adds another timescale to the control of matter at the atomic and molecular level. The proposal will focus on developing theories, numerical methods and simple practical models of laser-molecule interactions in the nonlinear nonperturbative regime. Highly efficient parallel numerical algorithms will be developed for High dimension partial differential equations, PDE’s such as Time Dependent Schroedinger Equations, TDSE’s, Time-Dependent Dirac Equation, TDDE’s for relativistic effects, coupled to Maxwell equations for propagation effects in order to explore applications of new ultrafast intense laser technologies to the new field of Molecular Photonics. High level simulations on Compute Canada’s supercomputing facilities such as the 40 000 core machine at U de S will serve to invent and refine simple models of ultrafast laser control of matter for use by experimentalists. The research in this proposal will serve to catalyze novel applications of ultrafast intense laser science in a wide range of fields such as nanotechnology and life sciences, based on the new scientific direction – the ultimate visualization and control of the quantum nature of the electron. High performance supercomputer numerical simulations supported by the development of useful analytical models will be performed for the three fundamental PDE’s of ultrafast intense Molecular Photonics: TDSE’s, TDDE’s, coupled to Maxwell’s equations. The simulations and models will be used to explore new applications of the following novel laser induced physical processes: i) LIED – Laser Induced Electron Diffraction; ii) LIET – Laser Induced Electron Transfer; iii) PEHG – Photo Electron Holography; iv) Coherent Electron Wave Packets – CEWP’s, and Currents; v) Circular Polarization Attosecond Laser-Magnetic Pulses; vi) Super Intense Lasers and Relativity. Micro-macro nonlinear optics is developed further through Maxwell’s equations allowing for exploration of new nonlinear macroscopic phenomena such as laser solitons, filamentation, attosecond magnetic pulses and relativistic phenomena in the nonlinear nonperturbative regime of laser-matter interaction.

现代激光技术的进步允许产生相位控制的强（几个周期）光脉冲，人们可以探索光与物质的非线性非微扰制度的相互作用。 这一新技术的应用，为发展一门新的科学，分子光子学，和激光控制的电子物质，需要先进的建模和模拟，使用先进的高级并行数值算法。 这项研究的一个重要的“副产品”，主要是理论和最近才实验的是分子高次谐波产生的发展，MHOHG作为电流阿秒（1 asec=10**-18 s）脉冲的主要来源，从线性到均匀的圆形（如我们最近提出的）极化。 阿秒脉冲是在自然时间尺度阿秒（H原子中的电子轨道周期为152 asecs）上对电子进行成像、可视化和控制的首选工具。 核运动，如质子运动，是化学，生物学和材料中最快的原子，具有几飞秒（fs）的时间尺度，这为原子和分子水平上的物质控制增加了另一个时间尺度。 该提案将侧重于发展非线性非微扰机制中激光分子相互作用的理论、数值方法和简单实用的模型。 为了探索新的超快强激光技术在分子光子学新领域中的应用，我们将开发高维度偏微分方程、偏微分方程如含时薛定谔方程、含时狄拉克方程、相对论效应的含时狄拉克方程、耦合到传播效应的麦克斯韦方程的高效并行数值算法。 加拿大计算机公司的超级计算设施，如U de S的40000核心机器的高水平模拟将有助于发明和改进供实验人员使用的超快激光控制物质的简单模型。 该提案中的研究将有助于催化超快强激光科学在纳米技术和生命科学等广泛领域的新应用，基于新的科学方向-最终可视化和控制的量子性质的电子。高性能的超级计算机数值模拟支持的发展有用的分析模型将执行的三个基本偏微分方程的超快强分子光子学：TDSE's，TDDE's，耦合到麦克斯韦方程。 模拟和模型将用于探索以下新型激光诱导物理过程的新应用：i）LIED -激光诱导电子衍射; ii）LIET -激光诱导电子转移; iii）PEHG -光电子全息术; iv）相干电子波包- CEWP和电流; v）圆偏振阿秒激光磁脉冲; vi）超强激光和相对论。 微-宏观非线性光学通过麦克斯韦方程组得到进一步发展，从而可以探索新的非线性宏观现象，如激光孤子、双折射、阿秒磁脉冲和激光与物质相互作用的非线性非微扰区域中的相对论现象。