Preliminary XFEL Experimental Simulation Platform Based on HSWAP Engine
doi: 10.11858/gywlxb.20251155
-
摘要: X射线自由电子激光（X-ray free electron laser，XFEL）装置是诊断微介观材料动态过程的旗舰装置。为了增强对XFEL实验物理的认识能力和装置的设计能力，利用HSWAP工作流管理平台开展了XFEL实验模拟平台的研究工作。HSWAP平台实现了XFEL平台的流程模型、组件模型和数据链接模型，形成初步的XFEL实验模拟平台，并可以方便地使用不同的组件模型创建各种可执行的仿真过程。针对XFEL实验中的X射线衍射（X-ray diffraction，XRD）和相衬成像（phase contrast imaging，PCI）诊断技术开展了模拟研究，实现了分子动力学模拟与XRD模拟的结合以及近场动力学计算模拟与PCI模拟的结合。通过XFEL实验模拟平台的建立和应用，加深了对XFEL诊断能力和实验物理过程的认识。
-
关键词:
- XFEL实验模拟平台 /
- HSWAP平台 /
- X射线诊断
Abstract: X-ray free electron laser (XFEL) plays a critical role in diagnosing dynamic compression processes in micro- and meso-scale materials. To deepen our understanding of XFEL physics and optimize facility design, a preliminary XFEL experimental simulation platform was developed based on the high-performance computing (HPC) simulation workflow application platform (HSWAP). HSWAP provides workflow, component, and data linkage models for XFEL experiments, enabling flexible simulation of diverse processes through modular configurations. This platform was employed to investigate X-ray diffraction (XRD) of microscale materials and phase contrast imaging (PCI) of meso-scale explosive samples. Simulation results for XRD of a metallic sample under shock loading and PCI of voids in explosive materials demonstrate the platform’s ability to accurately reproduce experimental dynamics. By integrating numerical models with data analysis, the platform enhances the design of XFEL experiments and provides a foundation for interpreting diagnostic capabilities in ultrafast processes. Future work will focus on refining simulation methods for meso-scale samples using phase-field approaches and high-Z materials under shock conditions.-
Key words:
- XFEL experimental simulation platform /
- HSWAP engine /
- X-ray diagnostics
-
Figure 8. Phase evolution of the Fe sample via times with the initial velocity 1.0 km/s of particles
Figure 10. Simulated results of collapsed voids via times (The width of the sample in figure is only about 0.43 mm of the interested zone)
-
[1] CRABTREE G W, SARRAO J L. Opportunities for mesoscale science [J]. MRS Bulletin, 2012, 37(11): 1079–1088. doi: 10.1557/mrs.2012.274 [2] MADEY J M. Stimulated emission of bremsstrahlung in a periodic magnetic field [J]. Journal of Applied Physics, 1971, 42(5): 1906–1913. doi: 10.1063/1.1660466 [3] AKRE R, DOWELL D, EMMA P, et al. Commissioning the Linac Coherent Light Source injector [J]. Physical Review Accelerators and Beams, 2008, 11: 030703. doi: 10.1103/PhysRevSTAB.11.030703 [4] YABASHI M. Overview of XFEL and SACLA [J]. Nihon Kessho Gakkaishi, 2017, 59(1): 2–5. doi: 10.5940/jcrsj.59.2 [5] ISHIKAWA T, AOYAGI H, ASAKA T, et al. A compact X-ray free-electron laser emitting in the sub-ångström region [J]. Nature Photonics, 2012, 6(8): 540–544. doi: 10.1038/nphoton.2012.141 [6] TSCHENTSCHER T, BRESSLER C, GRÜNERT J, et al. Photon beam transport and scientific instruments at the European XFEL [J]. Applied Sciences, 2017, 7(6): 592. doi: 10.3390/app7060592 [7] ABELA R, BEAUD P, VAN BOKHOVEN J A, et al. Perspective: opportunities for ultrafast science at SwissFEL [J]. Structural Dynamics, 2017, 4(6): 061602. doi: 10.1063/1.4997222 [8] TAO F, ZHANG H, QI Q L, et al. Ten questions towards digital twin: analysis and thinking [J]. Computer Integrated Manufacturing Systems, 2020, 26(1): 1–17. doi: 10.13196/j.cims.2020.01.001 [9] TAO F, LIU W R, LIU J H, et al. Digital twin and its potential application exploration [J]. Computer Integrated Manufacturing Systems, 2018, 24(1): 1–18. doi: 10.13196/j.cims.2018.01.001 [10] YOON C H, YURKOV M V, SCHNEIDMILLER E A, et al. A comprehensive simulation framework for imaging single particles and biomolecules at the European X-ray Free-Electron Laser [J]. Scientific Reports, 2016, 6(1): 24791. doi: 10.1038/srep24791 [11] ORBAN D, BANESH D, TAUXE C, et al. Cinema: Bandit: a visualization application for beamline science demonstrated on XFEL shock physics experiments [J]. Journal of Synchrotron Radiation, 2020, 27(1): 1−10. [12] ALS-NIELSEN J, MCMORROW D. Elements of modern X-ray physics [M]. London: Wiley, 2011. [13] SCHOONJANS T, BRUNETTI A, GOLOSIO B, et al. The xraylib library for X-ray-matter interactions. recent developments [J]. Spectrochimica Acta Part B: Atomic Spectroscopy, 2011, 66(11/12): 776–784. doi: 10.1016/j.sab.2011.09.011 [14] ZHAO S C, XIAO Y H, DUAN B W, et al. HSWAP: numerical simulation workflow management platform suitable for high performance computing environment [J]. Journal of Computer Applications, 2019, 39(6): 1569–1576. doi: 10.11772/j.issn.1001-9081.2018122606 [15] MILATHIANAKI D, BOUTET S, WILLIAMS G J, et al. Femtosecond visualization of lattice dynamics in shock-compressed matter [J]. Science, 2013, 342(6155): 220–223. doi: 10.1126/science.1239566 -
下载:
图(11)
计量
- 文章访问数: 1235
- HTML全文浏览量: 500
- PDF下载量: 52
