Using the uncertainty principle to design simple interactions for targeted self-assembly.
Using the uncertainty principle to design simple interactions for targeted self-assembly.
复制标题
利用不确定性原理设计简单的相互作用以实现目标自组装。
DOI：
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发表时间：
2012
影响因子：
4.4
通讯作者：
M. N. Jacobi
中科院分区：
文献类型：
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作者：
E. Edlund;O. Lindgren;M. N. Jacobi
我们提出了一种方法，系统地简化了各向同性相互作用设计的目标自组装。利用不确定性原理，对实空间和倒易空间的相互作用势进行热核平滑和高斯筛选，得到了最优的简化。我们用这种方法分析设计了复杂晶格和具有功能性质的材料自组装的各向同性相互作用。推导出的相互作用足够简单，可以缩小基于理论设计的自组装材料的理论和实验实现之间的差距。
We present a method that systematically simplifies isotropic interactions designed for targeted self-assembly. The uncertainty principle is used to show that an optimal simplification is achieved by a combination of heat kernel smoothing and Gaussian screening of the interaction potential in real and reciprocal space. We use this method to analytically design isotropic interactions for self-assembly of complex lattices and of materials with functional properties. The derived interactions are simple enough to narrow the gap between theory and experimental implementation of theory based designed self-assembling materials.