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arXiv 0906.3868cond-mat.dis-nn
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玻璃形成液体中控制时间、长度和温度关系的指数的数值确定

Numerical determination of the exponents controlling the relationship between time, length and temperature in glass-forming liquids

Chiara Cammarota, Andrea Cavagna, Giacomo Gradenigo, Tomas S. Grigera, Paolo Verrocchio

摘要:

有一定的共识,即在玻璃形成液体中发生的弛豫时间$τ$在降低温度时的非常快的增长必须是由于增长尺寸的相关区域的热激活重排。尽管测量这些区域的大小在一段时间内一直困扰着科学家,但最近确实有证据表明,玻璃形成者中的相关长度$ξ$不断增长。如果我们使用阿留申定律,并作一个温和的假设,即重排的自由能垒是相关区域大小的某个幂$ψ$,我们得到时间和长度之间的关系,$T\logτ\sim ξ^ψ$。根据亚当-吉布斯和随机一阶理论,相关长度都以$ξ\sim (T-T_k)^{-1/(d-θ)}$的形式增长,尽管这两种理论对$θ$的值不一致。因此,弛豫时间随温度的超阿耳忒修斯增长由两个指数$ψ$和$θ$通过关系$T\logτ\sim (T-T_k)^{-ψ/(d-θ)}$调节。尽管有一些理论上的推测,到目前为止,还没有实验测定这两个指数。在这里,我们测量他们在一个模型的玻璃成型,发现$ψ=1$和$θ=2$。令人惊讶的是,即使我们发现的值与大多数以前的理论建议不一致,它们也给出了弛豫时间的著名VFT定律,$T\logτ\sim (T-T_k)^{-1}$。

英文摘要:

There is a certain consensus that the very fast growth of the relaxation time $τ$ occurring in glass-forming liquids on lowering the temperature must be due to the thermally activated rearrangement of correlated regions of growing size. Even though measuring the size of these regions has defied scientists for a while, there is indeed recent evidence of a growing correlation length $ξ$ in glass-formers. If we use Arrhenius law and make the mild assumption that the free-energy barrier to rearrangement scales as some power $ψ$ of the size of the correlated regions, we obtain a relationship between time and length, $T\logτ\sim ξ^ψ$. According to both the Adam-Gibbs and the Random First Order theory the correlation length grows as $ξ\sim (T-T_k)^{-1/(d-θ)}$, even though the two theories disagree on the value of $θ$. Therefore, the super-Arrhenius growth of the relaxation time with the temperature is regulated by the two exponents $ψ$ and $θ$ through the relationship $T\logτ\sim (T-T_k)^{-ψ/(d-θ)}$. Despite a few theoretical speculations, up to now there has been no experimental determination of these two exponents. Here we measure them numerically in a model glass-former, finding $ψ=1$ and $θ=2$. Surprisingly, even though the values we found disagree with most previous theoretical suggestions, they give back the well-known VFT law for the relaxation time, $T\logτ\sim (T-T_k)^{-1}$.

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