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Molecular dynamics-based method for testing impact of nano single droplets on surface of bent solid

A molecular dynamics, solid surface technology, applied in CAD numerical modeling, design optimization/simulation, etc., can solve problems such as the difficulty of realizing nano-scale droplet impact experiments

Inactive Publication Date: 2020-05-12
ANHUI POLYTECHNIC UNIV MECHANICAL & ELECTRICAL COLLEGE
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Problems solved by technology

However, the impact dynamics of micro- and nano-scale droplets are still not fully understood, because nano-scale droplet impact experiments are difficult to achieve.

Method used

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  • Molecular dynamics-based method for testing impact of nano single droplets on surface of bent solid
  • Molecular dynamics-based method for testing impact of nano single droplets on surface of bent solid
  • Molecular dynamics-based method for testing impact of nano single droplets on surface of bent solid

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Embodiment Construction

[0030] The present invention will be further described below in conjunction with the accompanying drawings.

[0031] The invention proposes a molecular dynamics-based test method for a nanometer single droplet impacting a curved solid surface. First, establish a calculation model in the lammps software, set the initial coordinates and initial velocity of the simulation system, and select an appropriate simulation time step; then, select an appropriate interatomic interaction potential function (force field) to calculate the force ;Secondly, select the appropriate boundary conditions and external conditions; Secondly, use the Velocity-verlet algorithm and Langevin temperature control method to perform numerical calculations; Finally, import the calculation results into the ovito software to obtain a snapshot of the droplet motion, and realize the bending of the droplet impact Research on flow characteristics and spreading characteristics of post-deformation, flow and wetting of...

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Abstract

The invention discloses a molecular dynamics-based method for testing the impact of a nano single droplet on the surface of a bent solid, which is characterized by comprising the following steps of: 1, establishing a calculation model in lamps software, setting an initial coordinate and an initial speed of a simulation system, and selecting a proper simulation time step length; 2, selecting a proper interatomic interaction potential function (force field), and calculating the stress; 3, selecting proper boundary conditions and external conditions; 4, carrying out numerical calculation by utilizing a Velocity-verlet algorithm and a Langevin temperature control method; and 5, importing a calculation result into ovito software to obtain liquid drop motion snapshots. According to the invention, the flow characteristics and spreading characteristics of deformation, flowing and wetting of liquid drops after the liquid drops impact the curved surface are obtained.

Description

technical field [0001] The invention relates to the field of nano-wetting technology, in particular to a molecular dynamics-based test method for a nano single droplet impacting a curved solid surface. Background technique [0002] In the past few decades, the dynamic analysis and numerical simulation of wetting phenomena have been the research topics at the frontiers of fluid mechanics, chemistry and engineering disciplines, such as inkjet printing, aircraft anti-icing and thermal energy exchange. In engineering applications, most walls are curved, such as engine cylinder walls. In addition, in nature, the curved leaves of plants have many spherical micron-scale surface hairs, so when droplets hit the curved surface, deformation, flow, and wetting phenomena are of great research value. [0003] In recent years, the spreading characteristics of macroscopic droplets on solid surfaces have received extensive attention, and some explanations for the flow mechanism after drople...

Claims

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Application Information

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IPC IPC(8): G06F30/20G06F111/10
Inventor 尹宗军苏蓉彭闪闪王清清张椿英
Owner ANHUI POLYTECHNIC UNIV MECHANICAL & ELECTRICAL COLLEGE
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