论文标题
中子散射时间的自动分析单晶声子数据
Automating Analysis of Neutron Scattering Time-of-Flight Single Crystal Phonon Data
论文作者
论文摘要
本文介绍了名为Phonon Explorer的软件，该软件在飞行器时间中子光谱仪中测量了中子散射功能S（Q，ω）的大型数据集的数据挖掘工作流程。这种系统的方法利用了数据集中包含的所有有用数据。它包括找到布里鲁因区域，其中特定的声子具有最高的散射强度，背景减法，在多个布里渊区中的统计数据以及分离紧密间隔的声子峰。使用软件可以减少确定声子分散，线宽和特征向量所需的时间，而不是一个数量级。
This article introduces software called Phonon Explorer that implements a data mining workflow for large datasets of the neutron scattering function, S(Q, ω), measured on time-of-flight neutron spectrometers. This systematic approach takes advantage of all useful data contained in the dataset. It includes finding Brillouin zones where specific phonons have the highest scattering intensity, background subtraction, combining statistics in multiple Brillouin zones, and separating closely spaced phonon peaks. Using the software reduces the time needed to determine phonon dispersions, linewidths, and eigenvectors by more than an order of magnitude.
