A Statistical-Mechanical Model for Dipolar Chain Formation
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arXiv
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| Format: | Preprint |
| Published: |
2026
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| _version_ | 1866910156575473664 |
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| author | Liang, Zhongqi Peréz-Ríos, Jesús |
| author_facet | Liang, Zhongqi Peréz-Ríos, Jesús |
| contents | Dipolar fluids are known to exhibit complex self-assembly at low temperatures, yet a compact thermodynamic description of their aggregate statistics has remained elusive. Using molecular dynamics simulations of Stockmayer particles with a purely repulsive WCA core, we show that over broad regions of the ($ρ$, $T$) phase space the chain-size distribution follows an exponential decay with characteristic size $s_0$. Within this regime, we find that $s_0$ can be accurately described by an effective thermodynamic potential $ϕ$ that incorporates bonding energy, a crowding penalty, and translational entropy. Identifying deviations from this ideal scaling provides a further division of the phase space into four regions. Therefore, our results locate a regime of relatively simple chain statistics and offer an alternative regime-based perspective on dipolar self-assembly. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2604_19912 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | A Statistical-Mechanical Model for Dipolar Chain Formation Liang, Zhongqi Peréz-Ríos, Jesús Chemical Physics Dipolar fluids are known to exhibit complex self-assembly at low temperatures, yet a compact thermodynamic description of their aggregate statistics has remained elusive. Using molecular dynamics simulations of Stockmayer particles with a purely repulsive WCA core, we show that over broad regions of the ($ρ$, $T$) phase space the chain-size distribution follows an exponential decay with characteristic size $s_0$. Within this regime, we find that $s_0$ can be accurately described by an effective thermodynamic potential $ϕ$ that incorporates bonding energy, a crowding penalty, and translational entropy. Identifying deviations from this ideal scaling provides a further division of the phase space into four regions. Therefore, our results locate a regime of relatively simple chain statistics and offer an alternative regime-based perspective on dipolar self-assembly. |
| title | A Statistical-Mechanical Model for Dipolar Chain Formation |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2604.19912 |