X射线自由电子激光分子成像：梦想还是现实？
Molecular imaging with X-ray free electron lasers: dream or reality?
摘要：
X射线自由电子激光（XFEL）是一种革命性的光子源，其超短、明亮的脉冲有望使单分子衍射实验提供原子长度尺度上的结构信息。然而，这一最终目标目前受到几个具有挑战性的问题的阻碍，这些问题基本上涉及样品损伤、库仑爆炸和非线性的作用。通过采用原始的\emph{ab-initio}的方法，以及并行计算的特殊资源，我们解决这些问题，显示准确的XFEL为基础的单分子成像将只可能与超短脉冲的飞秒的一半，由于显着的辐射损伤和形成的首选多孤子集群重塑的整体电子密度的分子系统在飞秒尺度。
英文摘要：
X-ray Free Electron Lasers (XFEL) are revolutionary photons sources, whose ultrashort, brilliant pulses are expected to allow single molecule diffraction experiments providing structural information on the atomic length scale. This ultimate goal, however, is currently hampered by several challenging questions basically concerning sample damage, Coulomb explosion and the role of nonlinearity. By employing an original \emph{ab-initio} approach, as well as exceptional resources of parallel computing, we address these issues showing that accurate XFEL-based single molecule imaging will be only possible with ultrashort pulses of half of femtosecond, due to significant radiation damage and the formation of preferred multi-soliton clusters which reshape the overall electronic density of the molecular system at the femtosecond scale.
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