SKM 2023 – wissenschaftliches Programm
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VA: Fachverband Vakuumphysik und Vakuumtechnik
VA 1: Vacuum Technology: New Developments and Applications
VA 1.3: Vortrag
Montag, 27. März 2023, 10:30–11:00, HSZ 301
Advanced simulation methodologies for optimizing aerosol injectors used for single-particle diffractive imaging — •Surya Kiran Peravali1,4, Lena Worbs1,2, Amit K Samanta1,3, Muhamed Amin1, Jochen Küpper1,2,3, Philipp Neumann4, and Michael Breuer4 — 1Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Hamburg, Germany — 2Department of Physics, Universität Hamburg, Germany — 3Center for Ultrafast Imaging, Universität Hamburg, Germany — 4Fakultät für Maschinenbau, Helmut-Schmidt-Universität,Germany
Single particle diffractive imaging (SPI) is a technique used for imaging atomic-scale structures and dynamics of nano-particles or bio-molecules. These experiments require the collection of thousands of diffraction patterns from identical particles. The particles are transferred into the gas phase and the collimated particle stream is then extracted in vacuum. The sample injection methods used for SPI must be optimized to produce high-quality particle beams, i.e., a high particle density and sample purity. We present a novel simulation framework which provides a quick and efficient way to search the experimental parameter space for optimizing the process. The framework requires simulating the gas flow inside the particle injectors and the expansion into the experimental vacuum chamber. Since the flow is at least partially in the rarefied regime i.e., high Knudsen number, a multi-scale approach combining simulation tools for continuum and free-molecular flow is applied. Subsequently, particle trajectories are computed using the forces obtained from interpolated force fields.