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Dislocation is one of the most critical and fundamental crystal defects thatdominate the mechanical behavior of crystalline solids, however, a quantitativedetermination of its character and property in experiments is quite challengingand limited so far. In this paper, a fully automated Peierls-Nabarro (P-N)analyzer named PNADIS is presented; a complete set of the character andproperty of dislocation can be automatically derived, including the dislocationcore structure, Peierls energy and stress, pressure field around dislocationcore, solute/dislocation interaction energy, as well as the energy barrier andyield stress at 0K for solid solution strengthening. Furthermore, bothone-dimensional (1D) and two-dimensional (2D) P-N models are implemented tomeet the demand to analyze the character and property of dislocation for notonly simple FCC and HCP structures but also complex crystals. Theimplementation of this code has been critically validated by a lot ofevaluations and tests including 1D P-N model for complex crystals, 2D P-N modelfor FCC and HCP metals, pressure field around dislocation core, and solidsolution strengthening for alloys. We expect that the automated feature of thiscode would provide a high-efficiency solution for determining the character andproperty of dislocation.

PNADIS: An automated Peierls-Nabarro Analyzer for DISlocation core structure and slip resistance