石 - 韦尔人的变换
Stone–Wales Transformations

原始链接: https://johncarlosbaez.wordpress.com/2025/07/12/stone-wales-transformation/

Buckminsterfullerene(C60)和石墨烯都是基于六角形布置的碳结构,表现出一种引人入胜的转化,称为石 - 韦尔斯缺陷。这涉及碳原子之间键的90度旋转。 在石墨烯中,石 - 韦尔转换将四个六角形转换为两个五角星和两个七雄。在Buckminsterfullerene中,它将两个Hexagons和两个Pentagons转变为两个五角大人和两个己糖。这种转换是拓扑重排。 这些石 - 韦尔发生变化的速度令人感兴趣。 Arrhenius方程是了解化学反应速率的有用工具。 Openov和Maslov的论文研究了Buckminsterfulerene中石 - 韦尔斯转化的速度。

黑客新闻线程讨论了约翰·贝兹(John Baez)的博客文章,内容涉及一种分子重排的石 - 韦尔斯变换。一位评论者莫霍马克(Mojomark)想知道这些转化对所得分子特征的含义,特别是它们如何影响微观材料的特性。 ThrawawayMaths解释说,第二个转变导致芳香性丧失,可能在导电材料中产生电导率缺陷。他们还指出,五角大龙和七肠引入曲率,在石墨烯中,这种石 - 韦尔斯的转化可能会因劳累而恢复到所有己糖。然后,Mojomark推测该现象是否可以用于电活性材料中,以诱导身体变形,模仿人造肌肉。 ThrawayMaths阐明了结构决定电导率的,而不是在这种情况下相反。其他评论者赞扬Baez的说明性写作风格。
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原文

Buckminsterfullerene is a molecule shaped like a soccer ball, made of 60 carbon atoms. If one of the bonds between two hexagons rotates, we get a weird mutant version of this molecule:

This is an example of a Stone-Wales transformation: a 90° rotation in a so-called ‘π bond’ between carbon atoms. Here’s how it works in graphene:

Graphene is a sheet of carbon molecules arranged in hexagons. When they undergo a Stone–Wales transformation, we get a Stone–Wales defect with two pentagons and two heptagons, like this:

This picture is from Jacopo Bertolotti, based on a picture by Torbjörn Björkman which appeared in this paper:

• Torbjörn Björkman, Simon Kurasch, Ossi Lehtinen, Jani Kotakoski, Oleg V. Yazyev, Anchal Srivastava, Viera Skakalova, Jurgen H. Smet, Ute Kaiser and Arkady V. Krasheninnikov, Defects in bilayer silica and graphene: common trends in diverse hexagonal two-dimensional systems, Scientific Reports 3 (2013), 3482.

This paper also shows other interesting defects, and electron microscope pictures of how they actually look in graphene and hexagonal bilayer silica.

You’ll notice that in buckminsterfullerne the Stone–Wales transformation turned 2 hexagons and 2 pentagons into two pentagons and 2 hexagons, while in graphene it turned 4 hexagons into 2 pentagons and 2 heptagons. The general pattern is this:

I think it’s cool how a simple topological transformation akin to the Pachner moves shows up in chemistry!

I got the above image from here:

• Wei-Wei Wang, Jing-Shuang Dang, Jia Zheng, Xiang Zhao, Shigeru Nagase, Selective growth of fullerenes from C60 to C70: inherent geometrical connectivity hidden in discrete experimental evidence, The Journal of Physical Chemistry C 117 (2013), 2349–2357.

I got the image of a Stone–Wales transformation in buckminsterfullerene from here:

• L. A. Openov and Mikhail Maslov, On the vineyard formula for the pre-exponential factor in the Arrhenius law, Physics of the Solid State 56 6 (2014), 1239–1244.

The Arrhenius equation is a simple rule of thumb for the rates of chemical reactions. A lot of statistical mechanics gives simple laws for equilibrium behavior. For example, a state of energy E will show up with probability proportional to \exp(-E/kT) in equilibrium at temperature T, where k is Boltzmann’s constant. But dynamics is much harder, so the Arrhenius equation for the rates of transitions between states is precious, even though only approximate. I would like to understand this law better, and its range of approximate validity. The above paper digs into that. As an example, it studies the rate at which Stone–Wales transformations happen in buckminsterfullerene!

There should be a nice theory of topological transformations like Stone–Wales transformations or Pachner moves occurring randomly, following the laws of statistical mechanics. I guess the study of matrix models moves in this direction, but there’s no Arrhenius equation there, I don’t think!

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