JEDI: A versatile code for strain analysis of molecular and periodic systems under deformation
Henry Wang,
Sanna Benter,
Wilke Dononelli
et al.
Abstract:Stretching or compression can induce significant energetic, geometric, and spectroscopic changes in materials. To fully exploit these effects in the design of mechano- or piezo-chromic materials, self-healing polymers, and other mechanoresponsive devices, a detailed knowledge about the distribution of mechanical strain in the material is essential. Within the past decade, Judgement of Energy DIstribution (JEDI) analysis has emerged as a useful tool for this purpose. Based on the harmonic approximation, the str… Show more
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