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arXiv 1502.07309cond-mat.stat-mechcond-mat.quant-gas
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理想Maxwell-Boltzmann气体热力学性质的维数跃迁

Dimensional transitions in thermodynamic properties of ideal Maxwell-Boltzmann gases

Alhun Aydin, Altug Sisman

摘要:

在量子尺寸效应下,研究了一种局限于各种矩形纳米畴中的理想麦克斯韦-玻尔兹曼气体。热力学量是从它们与配分函数的关系计算出来的,配分函数由各个方向上动量态的三重无限求和组成。为了得到解析表达式,通过连续近似将求和转换为宏观系统的积分,这在纳米尺度上是失败的。为了避免求和的数值计算和积分近似在纳米尺度下的失效,提出了一种给出单粒子配分函数(SPPF)解析表达式的方法。结果表明,在一定的约束量下,动量空间中的维数跃迁发生。因此,用低维的解析表达式来表示SPPF而不是求和的数值计算成为可能。考虑不同长宽比的矩形区域,将推导的表达式与SPPF求和形式的结果进行了比较。结果表明,SPPF的解析表达式给出了非常精确的结果,最大相对误差分别约为1%,2%和3%的转变点的单,双和三跃迁。基于量纲变换,给出了自由能、熵、内能、化学势、热容和压强的解析表达式。

英文摘要:

An ideal Maxwell-Boltzmann gas confined in various rectangular nano domains is considered under quantum size effects. Thermodynamic quantities are calculated from their relations with partition function which consists of triple infinite summations over momentum states in each direction. To get analytical expressions, summations are converted to integrals for macro systems by continuum approximation which fails at nanoscales. To avoid both from the numerical calculation of summations and the failure of their integral approximations at nanoscale, a method which gives an analytical expression for single particle partition function (SPPF) is proposed. It's shown that dimensional transition in momentum space occurs at certain magnitude of confinement. Therefore, to represent SPPF by lower-dimensional analytical expressions becomes possible rather than numerical calculation of summations. Considering rectangular domains with different aspect ratios, comparison of the results of derived expressions with those of summation forms of SPPF is done. It's shown that analytical expressions for SPPF give very precise results with maximum relative errors of around 1%, 2% and 3% at just the transition point for single, double and triple transitions respectively. Based on dimensional transitions, expressions for free energy, entropy, internal energy, chemical potential, heat capacity and pressure are given analytically valid for any scale.

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