Method for representing density of metal powder sintered body based on molecular dynamics

A technology of molecular dynamics and metal powder, which is applied in the field of powder metallurgy, can solve problems such as lack of physical meaning, achieve the effect of reducing costs, reducing the amount of experiments, and improving research and development efficiency

Active Publication Date: 2021-06-08
GENERAL RESEARCH INSTITUTE FOR NONFERROUS METALS BEIJNG +1
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  • Abstract
  • Description
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  • Application Information

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Problems solved by technology

However, most of the density formulas cited in the current literature come from experience and lack practical physica

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  • Method for representing density of metal powder sintered body based on molecular dynamics

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Embodiment 1

[0018] (1) Use Material Studio to build such as figure 1 The simulation model for the calculation of copper powder particles is shown. The particles in the model are all copper powder particles with a particle size of 2nm, the particles at the eight vertices are 1 / 8 particles, and the six face centers are 1 / 2 particles, and the 14 particles involved are packed into a cube box Among them, the nano-copper powder particles can achieve close packing.

[0019] (2) Using the molecular dynamics method, the model described in step (1) was sintered at a constant temperature of 573.15K in the open source software LAMMPS, and the embedded atomic potential proposed by S.A.Etesami and E.Asadi in 2018 was selected as the potential function of this example. NPT ensemble, periodic boundary conditions, sintering at a constant temperature of 573.15K for 200ps; after that, a cooling sintering simulation experiment was performed at a cooling rate of 1K / ps until the sintering temperature dropped ...

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Abstract

The invention discloses a method for representing density of a metal powder sintered body based on molecular dynamics. The method comprises the following steps: (1) establishing a calculation simulation model for simulating laser sintering of metal powder; (2) adopting a molecular dynamics method, setting simulation parameters, and simulating the sintering process; (3) after the sintering simulation in the step (2) is finished, outputting the number Ni and the total volume V of atoms of various crystal structures of the sintered body according to a simulation result; and (4) calculating density according to an expression of the density D of the sintered body, wherein in the expression, i is the ith crystal structure in the sintered body, Ni is the number of all atoms of the ith crystal structure, ni is the unit cell atom number of the ith crystal structure to which the atoms belong, and Mi is the unit cell volume of the ith crystal structure to which the atoms belong. According to the method, the effect of representing the density of the sintered body is achieved on the theoretical level, the experimental quantity is reduced, the actual powder sintering cost is remarkably reduced, and the research and development efficiency is improved.

Description

technical field [0001] The invention belongs to the field of powder metallurgy, in particular to a method for characterizing the density of a metal powder sintered body based on molecular dynamics. Background technique [0002] Powder metallurgy is an important material forming method. In order to save resources and reduce the amount of experiments, the use of simulation technology to simulate the sintering process of powder has increasingly become the development trend of modern materials science. There are various simulation methods and means for the powder metallurgy sintering process, among which the molecular dynamics method has a relatively mature application in the simulated sintering due to its simplicity and small amount of calculation. [0003] An important parameter of powder metallurgy is the density of the sintered body. In order to connect the theoretical simulation with the actual sintering process, more and more experts and scholars have theoretically charact...

Claims

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Application Information

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IPC IPC(8): G16C10/00G16C20/20G16C20/80
CPCG16C10/00G16C20/20G16C20/80Y02P10/25
Inventor 施静敏王建伟肖伟王雪孙璐崔建东王立根
Owner GENERAL RESEARCH INSTITUTE FOR NONFERROUS METALS BEIJNG
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