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Peierls-Nabarro Analyzer 基于派纳模型的位错结构和滑移阻力自动求解程序

已有 2955 次阅读 2020-9-17 09:13 |系统分类:科研笔记


Overview of PNADIS

PNADIS is a user-interface MATLAB program, which is designed and organized by Dr. S. H. Zhang and Prof. R. F. Zhang, for calculating the core structure and Peierls stress of a crystal based on the semidiscrete variational Peierls-Nabarro model and its derived ones. The name of the software comes from the name of the two famous scientist Peierls and Nabarro. To respect their great contribution to the crystal plasticity model of dislocation slip, we name this software as “Peierls-Nabarro Analyzer” for dislocation core structure and slip resistance.

      The software has implemented the following functionalities:

  • Construction of analytical expression of 2D Gamma surface 

  • Analyze the dislcoation core structure based on energetic minimization approach

  • Calculate the Peierls stress of dislocation slip based on energetic minimization approach

  • Analyze the dislcoation core structure based on force balance approach 

  • Calculate the Peierls stress of dislocation slip based on force balance approach

  • Illustrate the disregistry profile along slip direction

  • Reveal the dislocation dissociation within slip plane

  • etc.


PNADIS runs on WINDOWS, LINUX and MAC operating systems with MATLAB installed. Its running needs commercial MATLAB compiler. It is contributed free of charge for non-commercial users who must possess the license of MATLAB software. Please send the filled registration form with subject "Registration for PNADIS" to zrfcms@buaa.edu.cn  when you are using this software.

Theoretical background of PNADIS

1) S. H. Zhang, D. Legut, and R. F. Zhang. PNADIS: Peierls-Nabarro Analyzer for dislocation core structure and slip resistance, Computer Physics Communications 240, 60 (2019). .

2) S. H. Zhang, I. J. Beyerlein, D. Legut, Z. H. Fu, Z. Zhang, S. L. Shang, Z. K. Liu, T. C. Germann, and R. F. Zhang. First principles investigation of strain effects on the stacking fault energies, dislocation core structure and Peierls stress of magnesium and its alloysPhysical Review B 95, 224106(2017).

3) R. F. Zhang, S. H. Zhang, Y. Q. Guo, Z. H. Fu, D. Legut, T. C. Germann and S. Veprek. First Principles Design of Strong Solids: Approaches and Applications826, 1-49 (2019).

Attached below is the Registration Form for Peierls-Nabarro Analyzer

RegForm for Peierls-Nabarro Analyzer.doc


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