Ma Z, Lieutenant K, Voigt J, Schrader T E, Gutberlet T
Jülich Centre for Neutron Science, Forschungszentrum Jülich, 52425 Jülich, Germany.
Laboratory for Neutron and Muon Instrumentation, Paul Scherrer Institute, CH-5232 Villigen, Switzerland.
Rev Sci Instrum. 2024 Jun 1;95(6). doi: 10.1063/5.0203509.
In this work, a concept for a neutron diffractometer for high-resolution macromolecular structures has been developed within the Jülich High Brilliance Neutron Source (HBS) project. The SELENE optics are adapted to the requirements of the instrument to achieve a tunable low background neutron beam at mm2 scale sample area. With the optimized guide geometry, a low background neutron beam can be achieved at the small sample area with tunable divergence and size. For the 1 × 1 mm2 sample, a flux of 1.10 × 107 n/s/cm2 for 0.38° divergence is calculated in the 2-4 Å wavelength range, which is about 84.6% of the flux at MaNDi of the high-power spallation source SNS at ORNL. Virtual neutron scattering experiments have been performed to demonstrate the instrument's capabilities for studies of mm scale samples with large unit cells. Results of Vitesse simulations indicate that unit cell sizes of up to 200 Å are possible to be resolved with the proposed instrument.
在这项工作中，于尤利希高亮度中子源（HBS）项目内开发了一种用于高分辨率大分子结构的中子衍射仪概念。SELENE光学元件根据该仪器的要求进行了适配，以在毫米²规模的样品区域实现可调谐的低本底中子束。通过优化的导向几何结构，可在小样品区域获得具有可调发散度和尺寸的低本底中子束。对于1×1毫米²的样品，在2 - 4埃波长范围内，计算得出发散度为0.38°时的通量为1.10×10⁷ 个中子/秒/平方厘米，这约为橡树岭国家实验室高功率散裂源SNS的MaNDi处通量的84.6%。已进行虚拟中子散射实验，以证明该仪器对具有大晶胞的毫米级样品的研究能力。Vitesse模拟结果表明，使用所提出的仪器有可能分辨出高达200埃的晶胞尺寸。
