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arXiv 2307.00596math-phmath.DSmath.MPnlin.SI
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可积 Toda 模型在一维分子动力学中的作用

On the role of the Integrable Toda model in one-dimensional molecular dynamics

Giancarlo Benettin, Giuseppe Orsatti, Antonio Ponno

AI总结:

本文证明经仿射归一化的 MLJ 分子势在硬芯排斥极限收敛于 Toda 势,并通过理论与数值说明典型一维分子链动力学意外接近可积。

摘要:

我们证明,常见的 Mie–Lennard-Jones(MLJ)分子势在经过仿射变换适当归一化后,在硬芯排斥极限下收敛于 Toda 指数势。相应地,任何具有 MLJ 型粒子间势的类 Fermi–Pasta–Ulam(FPU)哈密顿量,都被证明与 Toda 可积哈密顿量相差 $1/n$,其中 $n$ 是控制 MLJ 势中排斥作用的指数。这意味着,通过典型分子势相互作用的粒子链,其动力学以一种出乎意料的方式接近可积。理论结果附有数值示例;数值结果尤其表明,即便是非常标准的 12–6 MLJ 势,也比文献中更常用的 FPU 势更接近可积性。

英文摘要:

We prove that the common Mie-Lennard-Jones (MLJ) molecular potentials, appropriately normalized via an affine transformation, converge, in the limit of hard-core repulsion, to the Toda exponential potential. Correspondingly, any Fermi-Pasta-Ulam (FPU)-like Hamiltonian, with MLJ-type interparticle potential, turns out to be $1/n$-close to the Toda integrable Hamiltonian, $n$ being the exponent ruling repulsion in the MLJ potential. This means that the dynamics of chains of particles interacting through typical molecular potentials, is close to integrable in an unexpected sense. Theoretical results are accompanied by a numerical illustration; numerics shows, in particular, that even the very standard 12--6 MLJ potential is closer to integrability than the FPU potentials which are more commonly used in the literature.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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