In the design and realization of modern neutron scattering instrumentation, particularly when designing beamline concepts from the ground up, it is desirable to fully benchmark against realistically simulated data. This is especially true for total scattering beamlines, where the future deliverable data is to be analysed in both reciprocal- and real-space representations, and needs must be carefully balanced to ensure sufficient range, resolution and flux of the instrument. An approach to optimize the design of neutron scattering instrumentation via a workflow including ray-tracing simulations, event-based data reduction, heuristic analysis and fitting against realistically simulated spectra is demonstrated here. The case of the DISCOVER beamline concept at the Spallation Neutron Source is used as an example. The results of the calculations are benchmarked through simulation of existing instrumentation and subsequent direct comparison with measured data. On the basis of the validated models, the ability to explore design characteristics for future beamline concepts or future instrument improvements is demonstrated through the examples of detector tube size and detector layout.

中文翻译：

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从事件开始到减少和拟合数据的模拟和基准中子总散射仪器

在现代中子散射仪器的设计和实现中，特别是在从头开始设计光束线概念时，需要根据实际模拟数据进行全面基准测试。对于总散射光束线尤其如此，未来可交付的数据将在倒数和实空间表示中进行分析，并且必须仔细平衡需求以确保仪器有足够的距离、分辨率和通量。这里演示了一种通过工作流程优化中子散射仪器设计的方法，包括光线追踪模拟、基于事件的数据简化、启发式分析和拟合真实模拟的光谱。以散裂中子源的 DISCOVER 光束线概念为例。计算结果通过对现有仪器的模拟和随后与测量数据的直接比较进行基准测试。在经过验证的模型的基础上，通过检测器管尺寸和检测器布局示例展示了探索未来光束线概念或未来仪器改进的设计特征的能力。