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    20 April 2023, Volume 43 Issue 2 Previous Issue   

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    A Review on Band Unfolding Technique and Its Applications
    CHEN Jia-xin, CHEN Ming-xing
    2023, 43 (2):  25-40.  doi: 10.13725/j.cnki.pip.2023.02.001
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    First-principles methods based on the density-functional theory have been widely applied to investigate structures and properties of materials and further to design new functional materials. The supercell method is usually used for the modeling of doped systems and interfaces. Unfortunately, the use of supercells leads to band foldings. As a result, the nature of electronic bands may be hidden, which brings difficulties in understanding the effects of doping and interfacing on the band structure of materials. This review provides recent advances in band unfolding technique within the plane-wave method and the linear combination of atomic orbitals. It also gives unfolding of phononic bands and lists a number of codes for band unfolding calculations. Finally, it presents a few applications of the technique and an outlook on further research options.
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    Cell Tissue Simulations Based on Active Network Models
    LI Zhu-qin, LEI Qun-li, MA Yu-qiang
    2023, 43 (2):  41-55.  doi: 10.13725/j.cnki.pip.2023.02.002
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    In the last decade, motivated by advances in cell biology, theoretical studies of the cell tissue as active matter have emerged as a new area in soft matter physics. This article reviews recent theoretical progresses based on the active network (AN) model of cell tissue. In the mesoscopic scale, the non-equilibrium dynamics of cell tissue is mainly driven by the self-propulsion of cells and non-propulsion activities, like active contractility or cellular tension/volume oscillation. AN models of self-propelled cells can reproduce complex dynamics of cell tissue in vivio, such as activity/adhesion driven solid-liquid transition, flocking and active turbulence. The AN model incorporating cellular tension fluctuation can also simulate the cell volume oscillation waves in embryo of Drosophila, and predict the fluctuation-driven solid-liquid transition of cell tissue. The structural phase transition and density fluctuation of cell tissue were also studied by using AN models, which deepens our understanding of this unique non-equilibrium soft matter system.

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