Han Sungho, Yu Clare C
Department of Physics and Astronomy, University of California, Irvine, California 92697, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2012 May;85(5 Pt 1):051201. doi: 10.1103/PhysRevE.85.051201. Epub 2012 May 2.
We have performed extensive molecular dynamics simulations to study noise-power spectra of density and potential energy fluctuations of a Lennard-Jones model of a fluid in the supercritical region. Emanating from the liquid-vapor critical point, there is a locus of isobaric specific heat maxima, called the Widom line, which is often regarded as an extension of the liquid-vapor coexistence line. Our simulation results show that the noise-power spectrum of the density fluctuations on the Widom line of the liquid-vapor transition exhibits three distinct 1/f^{γ} behaviors with exponents γ=0, 1.2, and 2, depending on the frequency f. We find that the intermediate frequency region with an exponent γ∼ 1 appears as the temperature approaches the Widom temperature from above or below. On the other hand, we do not find three distinct regions of 1/f^{γ} in the power spectrum of the potential energy fluctuations on the Widom line. Furthermore, we find that the power spectra of both the density and potential energy fluctuations at low frequency have a maximum on the Widom line, suggesting that the noise power can provide an alternative signature of the Widom line.
我们进行了广泛的分子动力学模拟,以研究超临界区域中流体的 Lennard-Jones 模型的密度和势能涨落的噪声功率谱。从液-气临界点出发,存在一条等压比热最大值的轨迹,称为 Widom 线,它通常被视为液-气共存线的延伸。我们的模拟结果表明,液-气转变的 Widom 线上密度涨落的噪声功率谱根据频率 f 呈现出三种不同的 1/f^{γ}行为,指数 γ 分别为 0、1.2 和 2。我们发现,当温度从上方或下方接近 Widom 温度时,指数 γ ∼ 1 的中频区域会出现。另一方面,我们在 Widom 线上势能涨落的功率谱中未发现三个不同的 1/f^{γ}区域。此外,我们发现低频下密度和势能涨落的功率谱在 Widom 线上都有一个最大值,这表明噪声功率可以为 Widom 线提供另一种特征。