Construction of a pathway map on a complicated energy landscape

التفاصيل البيبلوغرافية
العنوان: Construction of a pathway map on a complicated energy landscape
المؤلفون: Yin, Jianyuan, Wang, Yiwei, Chen, Jeff Z. Y., Zhang, Pingwen, Zhang, Lei
المصدر: Phys. Rev. Lett. 124, 090601 (2020)
سنة النشر: 2019
المجموعة: Condensed Matter
Physics (Other)
مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Soft Condensed Matter
الوصف: How do we search for the entire family tree without unwanted random guesses, starting from a high-index and high-energy stationary state on the energy landscape? Here we introduce a general numerical method that constructs the pathway map clearly connecting all stationary points branched from a single parent state. The map guides our understanding of how a physical system moves on the energy landscape. In particular, the method allows us to identify the transition state between energy minima and the energy barrier associated with such a state. As an example, we solve the Landau-de Gennes energy incorporating the Dirichlet boundary conditions to model a liquid crystal confined in square box; we illustrate the basic concepts by examining the multiple stationary solutions and the connected pathway maps of the model.
نوع الوثيقة: Working Paper
DOI: 10.1103/PhysRevLett.124.090601
الوصول الحر: http://arxiv.org/abs/1909.13182Test
رقم الانضمام: edsarx.1909.13182
قاعدة البيانات: arXiv