Collective Buckling in Metal-Organic Framework Materials
Fuente:
arXiv
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| Autori principali: | , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| _version_ | 1866918408788901888 |
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| author | Hahn, Nico Öhrström, Lars Geilhufe, R. Matthias |
| author_facet | Hahn, Nico Öhrström, Lars Geilhufe, R. Matthias |
| contents | We develop a framework to describe collective buckling in metal-organic frameworks (MOFs). Starting from the microscopic structure of a single organic linker, we define a buckling coordinate governed by an effective double-well potential. Coupling between linkers is introduced within a dipole-dipole approximation, resulting in an effective lattice Hamiltonian. We analyze the transition between ordered and disordered phases within a mean-field approximation and estimate the critical temperature. As an illustrative example for our theory, we discuss the collective buckling instability for the prototypical cubic framework MOF-5 under different values of uniaxial strain. Our approach provides a quantitative description of collective buckling in framework materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_16286 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Collective Buckling in Metal-Organic Framework Materials Hahn, Nico Öhrström, Lars Geilhufe, R. Matthias Statistical Mechanics Other Condensed Matter Soft Condensed Matter We develop a framework to describe collective buckling in metal-organic frameworks (MOFs). Starting from the microscopic structure of a single organic linker, we define a buckling coordinate governed by an effective double-well potential. Coupling between linkers is introduced within a dipole-dipole approximation, resulting in an effective lattice Hamiltonian. We analyze the transition between ordered and disordered phases within a mean-field approximation and estimate the critical temperature. As an illustrative example for our theory, we discuss the collective buckling instability for the prototypical cubic framework MOF-5 under different values of uniaxial strain. Our approach provides a quantitative description of collective buckling in framework materials. |
| title | Collective Buckling in Metal-Organic Framework Materials |
| topic | Statistical Mechanics Other Condensed Matter Soft Condensed Matter |
| url | https://arxiv.org/abs/2511.16286 |