AWESoMe 1.1: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids

• Published in: Computer physics communications 2017-08, Vol.217, p.212-214
• Main Authors: Muñoz-Santiburcio, Daniel, Hernández-Laguna, Alfonso
• Format: Article
• Language: English
• Subjects: Acoustic waves; Christoffel equation; Enhancement factor; Group velocity; Phase velocity
• ISSN: 0010-4655; 1879-2944
• DOI: 10.1016/j.cpc.2017.03.015

We present an improved version of the code AWESoMe, capable of computing phase and group velocities, power flow angles and enhancement factors of acoustic waves in homogeneous solids. In this version, some algorithms are improved and the code provides a better estimation of the enhancement factor compared to the previous version. In addition, we include a quadruple-precision version of the code, which even though using the same numerical approach as the double-precision version, is able to calculate the exact values of the enhancement factor. The standard, double-precision version of the code has been interfaced and merged with the development version of CRYSTAL and will be available as part of its next stable release. Finally, we have improved the scripts for visualizing the results, which now are compatible with Gnuplot 5.X.X, including new scripts for the visualization of the normal and ray surfaces. Program Title:AWESoMe 1.1 Program Files doi:http://dx.doi.org/10.17632/fr58gfsc9n.1 Licensing provisions: GPLv3 Programming language: Fortran90 Journal reference of previous version: Computer Physics Communications 192 (2015) 272–277 Does the new version supersede the previous version?: Yes Reasons for the new version: Improved accuracy, improved visualization scripts. Nature of problem: Calculation of acoustic wave phase and group velocities, power flow angles and enhancement factors in homogeneous solids. Solution method: Solving the Christoffel equation by diagonalization; computing group velocities and enhancement factors by vector operations. Additional comments: The DSYEVJ3 [1] subroutine is included in the AWESoMe code file. Summary of revisions: New approach for sampling the unit sphere around the propagation directionl→: In the first version of the code, the direction of the group velocities was determined by the vector product of two vectors a→ and b→, constructed with four points of the slowness surface evaluated at (θi±dθ,ϕi) and (θi,ϕi±dϕ), where (θi,ϕi) is the point of the unit sphere defined by the (phase) propagation direction l→. This approach had the drawbacks of been ill-defined at the poles and also potentially leading to different precisions depending on ϕ (even though we always observed a perfect estimation of the group velocities in the test cases). In the present revision we introduce a more consistent approach for estimating the normal to the slowness surface. Now, the phase velocity is first evaluated at the point A(θi,ϕi+dϕ), and