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Molecular dynamics-based nanoscale diamond friction wear process simulation method

A molecular dynamics, nano-scale technology, applied in the field of nano-friction and wear, which can solve problems such as inapplicability and no consideration of temperature changes.

Active Publication Date: 2021-06-22
NANJING UNIV OF SCI & TECH
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  • Abstract
  • Description
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  • Application Information

AI Technical Summary

Benefits of technology

This patented technology helps researchers study how much wearing out certain materials over time by studying their resistance against them. It also allows us to determine if there are any differences between different temperatures that affect this behavior or cause damage from heat exposure.

Problems solved by technology

This patented technical solution describes how heat affects the wearing behavior of small particles called carbon black (CN) during their use for various applications such as lubrication. However, current methods are unable to accurately predict this effect due to factors like pressure applied across them while they work with other materials that can change its properties over time.

Method used

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  • Molecular dynamics-based nanoscale diamond friction wear process simulation method
  • Molecular dynamics-based nanoscale diamond friction wear process simulation method
  • Molecular dynamics-based nanoscale diamond friction wear process simulation method

Examples

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Embodiment Construction

[0034] Such as figure 1 As shown, a nanoscale diamond friction and wear process simulation method based on molecular dynamics, including:

[0035] Step 1: Read the nanoscale diamond model data, such as figure 2 As shown, the diamond model is divided into two regions: the abrasive grain and the base part.

[0036] Step 2: Use the lattice command to fill the designated area with carbon atoms to form diamond.

[0037] Step 3: Determine the potential function that can describe the interaction force between atoms in the nanoscale diamond system;

[0038] The energy formula of the system described by the Tersoff potential function is:

[0039]

[0040] V ij =f C (r ij )[f R (r ij )+b ij f A (r ij )]

[0041] In the above formula, V ij Expressed as the potential energy between two particles, b ij Expressed as the strength of the bond between the two particles, r ij Indicates the distance between two particles, f C Used to represent the truncation function, f R is...

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Abstract

The invention discloses a molecular dynamics-based nanoscale diamond friction wear process simulation method, and belongs to the field of tribology molecular dynamics method research. A potential function capable of reflecting nano-scale diamond characteristics is selected, and parameters of molecular dynamics simulation in system relaxation and molecular modeling software are set; and the influence of the temperature on the abrasion loss of the nanoscale diamond in the frictional abrasion process is calculated through molecular dynamics simulation software. A coordinate file simulated by a diamond model is calculated and output through lamps, visual software is imported for visual analysis, and internal information of the structure is obtained through section analysis. According to the invention, the microstructure change and the stress result of the nanoscale diamond in the frictional wear process can be simulated by adopting molecular dynamics, and the process of structural damage can be visually observed.

Description

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Claims

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Application Information

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Owner NANJING UNIV OF SCI & TECH
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