Shape multistability in flexible tubular crystals through interactions of mobile dislocations: Simulation data

We study avenues to shape multistability and shape-morphing in flexible crystalline membranes of cylindrical topology, enabled by glide mobility of dislocations. Using computational modeling, we obtain states of mechanical equilibrium presenting a wide variety of tubular crystal deformation geometries, due to an interplay of effective defect interactions with out-of-tangent-plane deformations that reorient the tube axis. Importantly, this interplay often stabilizes defect configurations quite distinct from those predicted for a two-dimensional crystal confined to the surface of a rigid cylinder. We find that relative and absolute stability of competing states depend strongly on control parameters such as bending rigidity, applied stress, and spontaneous curvature. Using stable dislocation pair arrangements as building blocks, we demonstrate that targeted macroscopic three-dimensional conformations of thin crystalline tubes can be programmed by imposing certain sparse patterns of defects...我们研究了借助位错（dislocation）滑移迁移率实现圆柱拓扑柔性晶体膜多稳态调控与形状形变的可行路径。通过计算建模，我们得到了呈现丰富管状晶体形变几何构型的力学平衡态，该类构型源于有效缺陷相互作用与可重新定向管轴的非切平面形变之间的协同耦合效应。尤为关键的是，这类协同耦合往往会稳定出与约束于刚性圆柱表面的二维晶体所预测的缺陷构型截然不同的缺陷组态。我们发现，竞争平衡态的相对稳定性与绝对稳定性均强烈依赖于弯曲刚度、外加应力以及自发曲率等控制参数。以稳定的位错对排布作为结构基元，我们证实可通过引入特定的稀疏缺陷图案，对薄壁晶体管的目标宏观三维构象进行程序化设计。