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克服平衡限制的补丁粒子驱动自组装

Driven Self-Assembly of Patchy Particles Overcoming Equilibrium Limitations.

作者信息

Nag Shubhadeep, Bisker Gili

机构信息

Department of Biomedical Engineering, Faculty of Engineering, Tel Aviv University, Tel Aviv 6997801, Israel.

The Center for Physics and Chemistry of Living Systems, Tel Aviv University, Tel Aviv 6997801, Israel.

出版信息

J Chem Theory Comput. 2024 Sep 10;20(18):7700-7. doi: 10.1021/acs.jctc.4c01118.

Abstract

Bridging biological complexity and synthetic material design, we investigate dissipative self-assembly in patchy particle systems. Utilizing Monte Carlo and Molecular Dynamics simulations, we demonstrate how external driving forces mitigate equilibrium trade-offs between assembly time and structural stability, traditionally encountered in self-assembly processes. Our findings also extend to biological-mimicking environments, where we explore the dynamics of patchy particles under crowded conditions. This comprehensive analysis offers insights into advanced material design, opening avenues for innovations in nanotechnology applications.

摘要

我们将生物复杂性与合成材料设计相结合,研究了斑图粒子系统中的耗散自组装。通过蒙特卡罗模拟和分子动力学模拟,我们展示了外部驱动力如何缓解自组装过程中传统上在组装时间和结构稳定性之间遇到的平衡权衡。我们的研究结果还扩展到了生物模拟环境,在那里我们探索了拥挤条件下斑图粒子的动力学。这种全面的分析为先进材料设计提供了见解,为纳米技术应用的创新开辟了道路。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ef44/11428128/f0d562111c4e/ct4c01118_0001.jpg

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