Quantitative Interpretation of Simulated Polymer Mean-Square Displacements
Fuente:
arXiv
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| Autore principale: | |
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| _version_ | 1866915156416528384 |
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| author | Phillies, George D. J. |
| author_facet | Phillies, George D. J. |
| contents | We propose a path for making quantitative analyses of mean-square displacement curves of polymer chains in the melt or in solution. The approach invokes a general functional form that accurately describes $g(t) \equiv \langle (Δx(t))^{2} \rangle$ for all times at which $g(t)$ was measured, and that gives values for the logarithmic derivative of $g(t)$ for the same times. By these means we can readily distinguish between regimes in which $g(t)$ follows a power law in time, does not follow a power law in time, or has an inflection point. In a power-law regime, the method accurately determines the exponent, without imposing any assumption as to the exponent's value. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2408_08480 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Quantitative Interpretation of Simulated Polymer Mean-Square Displacements Phillies, George D. J. Soft Condensed Matter Statistical Mechanics We propose a path for making quantitative analyses of mean-square displacement curves of polymer chains in the melt or in solution. The approach invokes a general functional form that accurately describes $g(t) \equiv \langle (Δx(t))^{2} \rangle$ for all times at which $g(t)$ was measured, and that gives values for the logarithmic derivative of $g(t)$ for the same times. By these means we can readily distinguish between regimes in which $g(t)$ follows a power law in time, does not follow a power law in time, or has an inflection point. In a power-law regime, the method accurately determines the exponent, without imposing any assumption as to the exponent's value. |
| title | Quantitative Interpretation of Simulated Polymer Mean-Square Displacements |
| topic | Soft Condensed Matter Statistical Mechanics |
| url | https://arxiv.org/abs/2408.08480 |