Self-assembly of the simple cubic lattice with an isotropic potential.
Self-assembly of the simple cubic lattice with an isotropic potential.
复制标题
具有各向同性势的简单立方晶格的自组装。
DOI：
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发表时间：
2006
期刊：
影响因子：
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通讯作者：
S. Torquato
中科院分区：
文献类型：
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作者：
M. Rechtsman;F. Stillinger;S. Torquato
传统观点认为，低配位的晶体基态需要定向相互作用。使用我们最近引入的优化程序来实现目标结构的自组装[M.C.Rechtsman，Phys.莱特牧师。95,228301(2005年)；物理。Rev.E73,011406(2006年)，我们给出了经典基态为低配位的简单立方晶格的三维多粒子系统的各向同性对势V(R)。这一结果是作者不断追求的一部分，目的是开发分析和计算工具来解决统计-机械逆问题，以实现有针对性的自组装。这些方法的目的是设计粒子间相互作用，导致在光子学、催化、分离、传感器和电子领域应用的具有重要技术意义的目标结构的自组装。我们还指出，利用对关联函数信息的标准液态近似积分方程论不能在反向模式下用来预测正确的简立方势。我们报告了优化的各向同性势能，它产生了以体心为中心的立方体和简单的六方晶格，这提供了其他可以使用各向同性对相互作用组装的非紧密堆积结构的例子。
Conventional wisdom presumes that low-coordinated crystal ground states require directional interactions. Using our recently introduced optimization procedure to achieve self-assembly of targeted structures [M. C. Rechtsman, Phys. Rev. Lett. 95, 228301 (2005); Phys. Rev. E 73, 011406 (2006)], we present an isotropic pair potential V(r) for a three-dimensional many-particle system whose classical ground state is the low-coordinated simple cubic lattice. This result is part of an ongoing pursuit by the authors to develop analytical and computational tools to solve statistical-mechanical inverse problems for the purpose of achieving targeted self-assembly. The purpose of these methods is to design interparticle interactions that cause self-assembly of technologically important target structures for applications in photonics, catalysis, separation, sensors, and electronics. We also show that standard approximate integral-equation theories of the liquid state that utilize pair correlation function information cannot be used in the reverse mode to predict the correct simple cubic potential. We report in passing optimized isotropic potentials that yield the body-centered-cubic and simple hexagonal lattices, which provide other examples of non-close-packed structures that can be assembled using isotropic pair interactions.