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非热熔融特征。

Signatures of nonthermal melting.

机构信息

Theoretical Physics and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), Universität Kassel , Heinrich-Plett-Str. 40, 34132 Kassel, Germany.

MINT, University of Alabama , Tuscaloosa, Alabama 35487, USA.

出版信息

Struct Dyn. 2015 Aug 18;2(5):054101. doi: 10.1063/1.4928686. eCollection 2015 Sep.

Abstract

Intense ultrashort laser pulses can melt crystals in less than a picosecond but, in spite of over thirty years of active research, for many materials it is not known to what extent thermal and nonthermal microscopic processes cause this ultrafast phenomenon. Here, we perform ab-initio molecular-dynamics simulations of silicon on a laser-excited potential-energy surface, exclusively revealing nonthermal signatures of laser-induced melting. From our simulated atomic trajectories, we compute the decay of five structure factors and the time-dependent structure function. We demonstrate how these quantities provide criteria to distinguish predominantly nonthermal from thermal melting.

摘要

高强度超短激光脉冲在不到 1 皮秒的时间内就能将晶体熔化,但尽管已经进行了三十多年的积极研究,对于许多材料来说,其微观过程是热的还是非热的,在多大程度上导致了这一超快现象仍不得而知。在这里,我们在激光激发的势能表面上对硅进行了从头算分子动力学模拟,专门揭示了激光诱导熔化的非热特征。从我们模拟的原子轨迹中,我们计算了五个结构因子和时变结构函数的衰减。我们展示了这些量如何提供区分主要是非热熔化还是热熔化的标准。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e644/4711650/9d8ca4d42273/SDTYAE-000002-054101_1-g001.jpg

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