Accessing Semi-Addressable Self Assembly with Efficient Structure Enumeration
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arXiv
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| _version_ | 1866916833357987840 |
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| author | Hübl, Maximilian C. Goodrich, Carl P. |
| author_facet | Hübl, Maximilian C. Goodrich, Carl P. |
| contents | Modern experimental methods enable the creation of self-assembly building blocks with tunable interactions, but optimally exploiting this tunability for the self-assembly of desired structures remains an important challenge. Many studies of this inverse problem start with the so-called fully-addressable limit, where every particle in a target structure is different. This leads to clear design principles that often result in high assembly yield, but it is not a scaleable approach -- at some point, one must grapple with "reusing" building blocks, which lowers the degree of addressability and may cause a multitude of off-target structures to form, complicating the design process. Here, we solve a key obstacle preventing robust inverse design in the "semi-addressable regime" by developing a highly efficient algorithm that enumerates all structures that can be formed from a given set of building blocks. By combining this with established partition-function-based yield calculations, we show that it is almost always possible to find economical semi-addressable designs where the entropic gain from reusing building blocks outweighs the presence of off-target structures and even increases the yield of the target. Thus, not only does our enumeration algorithm enable robust and scalable inverse design in the semi-addressable regime, our results demonstrate that it is possible to operate in this regime while maintaining the level of control often associated with full addressability. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2405_13567 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Accessing Semi-Addressable Self Assembly with Efficient Structure Enumeration Hübl, Maximilian C. Goodrich, Carl P. Soft Condensed Matter Modern experimental methods enable the creation of self-assembly building blocks with tunable interactions, but optimally exploiting this tunability for the self-assembly of desired structures remains an important challenge. Many studies of this inverse problem start with the so-called fully-addressable limit, where every particle in a target structure is different. This leads to clear design principles that often result in high assembly yield, but it is not a scaleable approach -- at some point, one must grapple with "reusing" building blocks, which lowers the degree of addressability and may cause a multitude of off-target structures to form, complicating the design process. Here, we solve a key obstacle preventing robust inverse design in the "semi-addressable regime" by developing a highly efficient algorithm that enumerates all structures that can be formed from a given set of building blocks. By combining this with established partition-function-based yield calculations, we show that it is almost always possible to find economical semi-addressable designs where the entropic gain from reusing building blocks outweighs the presence of off-target structures and even increases the yield of the target. Thus, not only does our enumeration algorithm enable robust and scalable inverse design in the semi-addressable regime, our results demonstrate that it is possible to operate in this regime while maintaining the level of control often associated with full addressability. |
| title | Accessing Semi-Addressable Self Assembly with Efficient Structure Enumeration |
| topic | Soft Condensed Matter |
| url | https://arxiv.org/abs/2405.13567 |