Viscous and thermal velocity slip coefficients via the linearized Boltzmann equation with ab initio potential

IF 2.3 4区 工程技术 Q2 INSTRUMENTS & INSTRUMENTATION
Thanasis Basdanis, Dimitris Valougeorgis, Felix Sharipov
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Abstract

The viscous and thermal velocity slip coefficients of various monatomic gases are computed via the linearized classical Boltzmann equation, with ab initio potential, subject to Maxwell and Cercignani–Lampis boundary conditions. Both classical and quantum interatomic interactions are considered. Comparisons with hard sphere and Lennard–Jones potentials, as well as the linearized Shakhov model are performed. The produced database is dense, covers the whole range of the accommodation coefficients and is of high accuracy. Using symbolic regression, very accurate closed form expressions of the slip coefficients, easily implemented in the future computational and experimental works, are deduced. The thermal slip coefficient depends, much more than the viscous one, on the intermolecular potential. For example, in the case of diffuse scattering, the relative differences in the viscous slip coefficient data between HS and AI potentials are less than 4%, whilst the corresponding ones in the thermal slip coefficient data are about 6% for He, reaching 15% for Xe. Quantum effects are considered for He, at temperatures 1–104 K to deduce that deviations from the classical behaviour are not important in the viscous slip coefficient, but they become important in the thermal slip coefficient, where the differences between the classical and quantum approaches reach 15% at 1 K. The computational effort of solving the linearized Boltzmann equation with ab initio and Lennard–Jones potentials is the same. Since ab initio potentials do not contain any adjustable parameters, it is recommended to use them at any temperature.

Abstract Image

用从头算势线性化玻尔兹曼方程求解粘速和热速滑移系数
在Maxwell和Cercignani-Lampis边界条件下,利用线性化的经典玻尔兹曼方程计算了各种单原子气体的粘性和热速度滑移系数。考虑了经典和量子原子间的相互作用。与硬球势和Lennard-Jones势以及线性化的Shakhov模型进行了比较。所建立的数据库密度大,涵盖了调节系数的全部范围,精度高。利用符号回归,推导出滑移系数的精确封闭表达式,便于以后的计算和实验工作实现。热滑移系数比粘滑移系数更多地取决于分子间势。例如,在漫射散射情况下,HS势和AI势的粘性滑移系数数据的相对差值小于4%,而He势的热滑移系数数据的相对差值约为6%,Xe势的相对差值达到15%。在1 - 104 K的温度下,He考虑了量子效应,以推断出与经典行为的偏差在粘性滑移系数中并不重要,但它们在热滑移系数中变得重要,其中经典方法和量子方法之间的差异在1 K时达到15%。用从头算和Lennard-Jones势解线性化玻尔兹曼方程的计算量是相同的。由于从头算电位不包含任何可调参数,因此建议在任何温度下使用。
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来源期刊
Microfluidics and Nanofluidics
Microfluidics and Nanofluidics 工程技术-纳米科技
CiteScore
4.80
自引率
3.60%
发文量
97
审稿时长
2 months
期刊介绍: Microfluidics and Nanofluidics is an international peer-reviewed journal that aims to publish papers in all aspects of microfluidics, nanofluidics and lab-on-a-chip science and technology. The objectives of the journal are to (1) provide an overview of the current state of the research and development in microfluidics, nanofluidics and lab-on-a-chip devices, (2) improve the fundamental understanding of microfluidic and nanofluidic phenomena, and (3) discuss applications of microfluidics, nanofluidics and lab-on-a-chip devices. Topics covered in this journal include: 1.000 Fundamental principles of micro- and nanoscale phenomena like, flow, mass transport and reactions 3.000 Theoretical models and numerical simulation with experimental and/or analytical proof 4.000 Novel measurement & characterization technologies 5.000 Devices (actuators and sensors) 6.000 New unit-operations for dedicated microfluidic platforms 7.000 Lab-on-a-Chip applications 8.000 Microfabrication technologies and materials Please note, Microfluidics and Nanofluidics does not publish manuscripts studying pure microscale heat transfer since there are many journals that cover this field of research (Journal of Heat Transfer, Journal of Heat and Mass Transfer, Journal of Heat and Fluid Flow, etc.).
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