Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment

Gutmann Matthias J.; Graziano Gabriella; Mukhopadhyay Sanghamitra; Refson Keith; von Zimmerman Martin

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Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment

机译：中子飞行时间单晶劳厄衍射实验中单声子激发引起的散射散射的计算

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Direct phonon excitation in a neutron time-of-flight single-crystal Laue diffraction experiment has been observed in a single crystal of NaCl. At room temperature both phonon emission and excitation leave characteristic features in the diffuse scattering and these are well reproduced using ab initio phonons from density functional theory (DFT). A measurement at 20 K illustrates the effect of thermal population of the phonons, leaving the features corresponding to phonon excitation and strongly suppressing the phonon annihilation. A recipe is given to compute these effects combining DFT results with the geometry of the neutron experiment.

机译：在NaCl单晶中观察到中子飞行时间单晶Laue衍射实验中的直接声子激发。在室温下，声子的发射和激发都在弥散散射中留下特征特征，并且使用密度泛函理论（DFT）的从头算声子可以很好地再现这些特征。在20 K下的测量结果说明了声子的热填充效应，留下了与声子激发相对应的特征，并强烈抑制了声子an灭。结合DFT结果与中子实验的几何形状，给出了计算这些效应的方法。

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《Journal of Applied Crystallography》 |2015年第4期|共8页
作者
Gutmann Matthias J.; Graziano Gabriella; Mukhopadhyay Sanghamitra; Refson Keith; von Zimmerman Martin;
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正文语种 eng
中图分类应用晶体学;晶体学;
关键词
neutron time-of-flight; Laue diffraction; single crystals; phonon excitation;

机译：中子飞行时间;劳厄衍射;单晶;声子激发;

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1. Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment [J] . Gutmann Matthias J., Graziano Gabriella, Mukhopadhyay Sanghamitra, Journal of Applied Crystallography . 2015,第4期

机译：中子飞行时间单晶劳厄衍射实验中单声子激发引起的散射散射的计算
2. Diffuse neutron scattering in benzil, C14D10O2, using the time-of-flight Laue technique [J] . Welberry TR., Goossens DJ., David WIF., Journal of Applied Crystallography . 2003,第6期

机译：使用飞行时间劳厄技术在苯甲醚C14D10O2中进行扩散中子散射
3. Single-crystal time-of-flight neutron Laue methods: application to manganese catalase from Thermus thermophilus HB27 [J] . Yamada Taro, Yano Naomine, Hosoya Takaaki, Journal of Applied Crystallography . 2019,第5期

机译：单晶飞行时间中子拉库方法：从热嗜热嗜热菌Hb27应用到锰过氧化氢酶
4. X-ray micro Laue diffraction and neutron diffraction analysis of residual elastic strains in a 1 uniaxial tensile tested nickel alloy 600 sample [C] . Jing Chao, Alison Mark, Marina L. Suominen Fuller, Symposium EE on Nano- and Microscale Materials—Mechanical Properties and Behavior under Extreme Environments . 2008

机译：1％单轴拉伸试验镍合金600样品中残留弹性菌株的X射线微拉衍射和中子衍射分析
5. Quantitative texture analysis using time-of-flight neutron diffraction and electron back scatter diffraction. [D] . Xie, Yanxia. 2002

机译：使用飞行时间中子衍射和电子背散射衍射进行定量纹理分析。
6. Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment [O] . Matthias J. Gutmann, Gabriella Graziano, Sanghamitra Mukhopadhyay, -1

机译：中子飞行时间单晶劳厄衍射实验中单声子激发引起的散射散射的计算
7. Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment [O] . Gutmann, Matthias J., Graziano, Gabriella, Mukhopadhyay, Sanghamitra, 2015

机译：中子飞行时间单晶劳厄衍射实验中单声子激发引起的散射散射的计算
8. Neutron Scattering Experiments at the Institut Laue-Langevin, Grenoble, France and at the Rutherford Appleton Laboratory, Didcot, England, June 12-July 9, 1989: Foreign Trip Report. [R] . Mook, H. A. 1989

机译：1989年6月12日至7月9日，法国格勒诺布尔劳厄兰格文研究所和英国迪德科特卢瑟福阿普尔顿实验室的中子散射实验：外国旅行报告。

Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment

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