Nonlinear thermal response of a Lennard-Jones fluid near the triple point.
Nonlinear thermal response of a Lennard-Jones fluid near the triple point.
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Lennard-Jones 流体在三相点附近的非线性热响应。
DOI：
10.1103/physreva.34.1355
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发表时间：
1986
期刊：
影响因子：
--
通讯作者：
C. Massobrio
中科院分区：
文献类型：
--
作者：
G. Paolini;G. Ciccotti;C. Massobrio
我们对Lennard-Jones流体在三相点附近的电导率作为粒子数和外场的函数进行了一些更非线性的分子动力学计算。我们使用了减法技术和Evans-Gillan算法以及最近提出的一个准则来比较脉冲扰动和定常扰动的强度。相应地，我们使用的梯度在1.2×107到5.8×109 K/cm的范围内。结果表明，当F̃达到5.8×10 8K/cm时，能流在K=0处的响应是线性的。对于较大的微扰值，我们发现它是非线性的。没有发现响应与粒子数的依赖关系。
We have carried out some more nonlinear molecular-dynamics calculations of the conductivity of the Lennard-Jones fluid near its triple point as a function both of the number of particles and of the external field. We have employed the subtraction technique and Evans-Gillan algorithm together with a recently proposed criterion to compare the strengths of impulsive and stationary perturbations. Accordingly, the gradients we used lie in the range 1.2× 10 7 to 5.8× 10 9 K/cm. Our results suggest that the response of the energy current at K= 0 is linear for F̃ up to 5.8× 10 8 K/cm. We find nonlinearity for larger values of the perturbation. No dependence of the response on the particle number is found.