New statistical boundary conditions for argon–tungsten interactions

Ozhgibesov, M. S.; Leu, Tzong-Shyng; Cheng, Chin‐Hsiang; Уткин, А. В.

doi:10.1016/j.jmgm.2012.06.013

Cited by 5 publications

(2 citation statements)

References 14 publications

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“…The integration of the equation of motion was carried out using a second order velocity Verlet scheme, and the time step in numerical calculation was 10 −16 s. For numerical simulation, a parallel algorithm was developed and software implemented, allowing calculations using NVIDIA general-purpose graphic processors (GPUs) supporting the CUDA (Compute Unified Device Architecture) technology [15][16][17].…”

Section: Methodology and Physical Systemmentioning

confidence: 99%

Molecular-dynamic Investigation of Silicon Carbide Fracture Under External Mechanical Loads

Уткин¹,

Фомин²

2021

J. Sib. Fed. Univ., Math. phys.

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Section: Methodology and Physical Systemmentioning

confidence: 99%

Molecular-dynamic Investigation of Silicon Carbide Fracture Under External Mechanical Loads

Уткин¹,

Фомин²

2021

J. Sib. Fed. Univ., Math. phys.

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“…曹炳阳 [22] 将MD方法应用到了微尺度气体的模拟中, 并指出气体分子在固体表面附近的"俘获-逃逸"行为导致了氩分子在光滑铂表面上切向动量系数(TMAC) 随温度的变化呈现指数衰减的关系. Finger等 [23] 利用MD方法研究了在气体-表面相互作用过程中, 气体分子的入射速度、晶体结构、分子间作用力和吸附层对气体分子散射和切向动量的影响. 此外, 他们还根据气体分子与壁面的碰撞次数和反射速度方向对气体分子的散射方式进行了分类, 分析了不同散射类型对气体分子切向动量变化的影响.…”

Section: Md方法被越来越多的学者应用到稀薄流动和气unclassified

Molecular dynamics study on the conversion mechanism between momentum and energy components in gas-surface interaction

Yu¹,

Zhang²,

Yang³

et al. 2021

Acta Phys. Sin.

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With the rapid development of micro-nano technology and aerospace technology, researches related to rarefied gas flows have received more and more attention. For micro-/nanoscale systems and spacecraft in a rarefied environment, the reduction in the frequency of intermolecular collisions in the flow field makes the interaction between gas molecules and the solid surface develop into a major factor affecting the flow state. However, the mechanism of gas-surface interaction in rarefied flow has not been fully revealed due to its microscopic nature and physical complexity, and the existing simulation methods cannot accurately reflect the effect of this process on the flow state. In this paper, molecular beam method is adopted to simulate the scattering process of argon molecules on platinum surface, and the impacts of incident velocity, angle and wall roughness on the momentum and energy conversion mechanism are explored. By simulating the molecular scattering process under the two incident angles of <inline-formula><tex-math id="M3">\begin{document}$ 5^{\circ} $\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="2-20201192_M3.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="2-20201192_M3.png"/></alternatives></inline-formula> and <inline-formula><tex-math id="M4">\begin{document}$ 75^{\circ}$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="2-20201192_M4.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="2-20201192_M4.png"/></alternatives></inline-formula>, the following conclusions are obtained. When colliding with the wall at an angle close to vertical, both components of the momentum of the gas molecules are lost. The normal energy transfers to the tangential direction, and when the molecular velocity is not less than 2.0, the transfer rate is not significantly affected by the incident energy of the molecule and the surface roughness. The total energy loss of gas molecules after scattering becomes significant with the increase of incident velocity, and it is not sensitive to changes of surface roughness. When the gas molecules are incident at <inline-formula><tex-math id="M5">\begin{document}$ 75^{\circ} $\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="2-20201192_M5.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="2-20201192_M5.png"/></alternatives></inline-formula>, the roughness of the surface has a significant impact on the conversion mechanism of molecular momentum and energy. After colliding with a smooth wall, the momentum and energy values of the gas molecules remain basically unchanged, only the direction of the momentum is reversed. The motion state of molecules is close to the mirror reflection, and the conversion between momentum and energy components is not obvious. The introduction of roughness enhances the degree of accommodation between gas molecules and metal surface, and promotes the transfer of molecular tangential momentum and kinetic energy to the normal direction. When incident at a large polar angle, as opposed to the small-angle cases, the total energy loss of molecules is not sensitive to changes of incident velocity, it goes up significantly with the surface roughness increasing. The research in this article not only explores the gas-surface interaction mechanism, but also provides a useful reference for the high-fidelity simulation of rare gas flow and the development of appropriate gas-surface interaction models.

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