Torres James, Flores-Betancourt Alexis, Hermann Raphaël P
Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
J Acoust Soc Am. 2022 May;151(5):3547. doi: 10.1121/10.0011397.
Resonant ultrasound spectroscopy is used to nondestructively measure the elastic resonances of small solids to elucidate the material's elastic properties or other qualities like size, shape, or composition. Here, we introduce the software RUScal for the purpose of determining elastic properties by analyzing the eigenfrequencies of solid specimens with common shapes, such as rectangular parallelepipeds, cylinders (solid and hollow tube), ellipsoids, and octahedrons, as well as irregularly shaped ellipsoids that can be described analytically. All symmetry classes are supported, from isotropic to triclinic, along with the option to add or remove up to three orthogonal mirror planes as well as the ability to reorient the crystal axes with respect the sample edges via Euler angles. Additional features include tools to help find initial sets of elastic constants, including grid exploration and Monte Carlo methods, a tool to analyze frequencies as a function of sample length or crystal orientation, an error analysis tool to assess fit quality, and formatting of the input and output files for batch fitting, e.g., as a function of temperature. This software was validated with published resonant ultrasound spectroscopy data for various materials, shapes, and symmetries with noted improvements in calculation time compared to finite element methods.
共振超声光谱法用于无损测量小固体的弹性共振，以阐明材料的弹性特性或其他性质，如尺寸、形状或组成。在此，我们介绍软件RUScal，其目的是通过分析具有常见形状的固体样品（如长方体、圆柱体（实心和空心管）、椭球体和八面体）以及可解析描述的不规则形状椭球体的本征频率来确定弹性特性。支持从各向同性到三斜晶系的所有对称类，同时还可选择添加或移除多达三个正交镜面，以及通过欧拉角相对于样品边缘重新定向晶轴的功能。其他功能包括有助于找到弹性常数初始集的工具，包括网格探索和蒙特卡罗方法、分析频率作为样品长度或晶体取向函数的工具、评估拟合质量的误差分析工具，以及用于批量拟合的输入和输出文件格式设置，例如作为温度的函数。该软件已通过已发表的各种材料、形状和对称性的共振超声光谱数据进行验证，与有限元方法相比，计算时间有显著改进。
