CN112927760A - Simulation method for 3D printing of melting state of nano copper powder - Google Patents
Simulation method for 3D printing of melting state of nano copper powder Download PDFInfo
- Publication number
- CN112927760A CN112927760A CN201911237890.7A CN201911237890A CN112927760A CN 112927760 A CN112927760 A CN 112927760A CN 201911237890 A CN201911237890 A CN 201911237890A CN 112927760 A CN112927760 A CN 112927760A
- Authority
- CN
- China
- Prior art keywords
- copper powder
- sintering
- nano copper
- temperature
- volume
- Prior art date
- Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
- Pending
Links
- RYGMFSIKBFXOCR-UHFFFAOYSA-N Copper Chemical compound [Cu] RYGMFSIKBFXOCR-UHFFFAOYSA-N 0.000 title claims abstract description 41
- 238000000034 method Methods 0.000 title claims abstract description 35
- 238000004088 simulation Methods 0.000 title claims abstract description 16
- 238000010146 3D printing Methods 0.000 title claims abstract description 13
- 238000002844 melting Methods 0.000 title claims abstract description 13
- 230000008018 melting Effects 0.000 title claims abstract description 13
- 238000005245 sintering Methods 0.000 claims abstract description 39
- 230000007547 defect Effects 0.000 claims abstract description 26
- 239000002245 particle Substances 0.000 claims abstract description 20
- 239000013078 crystal Substances 0.000 claims abstract description 19
- 238000000329 molecular dynamics simulation Methods 0.000 claims abstract description 10
- 238000010438 heat treatment Methods 0.000 claims abstract description 7
- 230000002040 relaxant effect Effects 0.000 claims abstract description 5
- 239000000843 powder Substances 0.000 claims abstract description 4
- 238000004519 manufacturing process Methods 0.000 claims abstract description 3
- 230000000007 visual effect Effects 0.000 claims abstract description 3
- 239000000463 material Substances 0.000 claims description 5
- 229910052802 copper Inorganic materials 0.000 claims description 4
- 239000010949 copper Substances 0.000 claims description 4
- 239000002105 nanoparticle Substances 0.000 claims description 4
- 238000009826 distribution Methods 0.000 claims description 2
- 230000007423 decrease Effects 0.000 claims 1
- 238000000149 argon plasma sintering Methods 0.000 abstract description 3
- 238000005516 engineering process Methods 0.000 description 2
- 230000006870 function Effects 0.000 description 2
- 238000012827 research and development Methods 0.000 description 2
- 238000013459 approach Methods 0.000 description 1
- 238000004364 calculation method Methods 0.000 description 1
- 238000000280 densification Methods 0.000 description 1
- 238000010309 melting process Methods 0.000 description 1
- 239000002184 metal Substances 0.000 description 1
- 229910052751 metal Inorganic materials 0.000 description 1
- 239000007769 metal material Substances 0.000 description 1
- 238000005457 optimization Methods 0.000 description 1
- 238000011160 research Methods 0.000 description 1
Images
Classifications
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C10/00—Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like
Landscapes
- Engineering & Computer Science (AREA)
- Computing Systems (AREA)
- Theoretical Computer Science (AREA)
- Physics & Mathematics (AREA)
- Health & Medical Sciences (AREA)
- General Health & Medical Sciences (AREA)
- Spectroscopy & Molecular Physics (AREA)
- Life Sciences & Earth Sciences (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Bioinformatics & Computational Biology (AREA)
- Powder Metallurgy (AREA)
Abstract
The invention discloses a method for simulating a molten state of 3D printing nano copper powder. The method comprises the following steps: (1) determining the shape and the granularity of the nano copper powder; (2) establishing a nano copper powder particle model with a perfect crystal structure, and manufacturing defects in the nano copper powder particle model to obtain a model for simulating the melting state of powder particles; (3) selecting proper simulation parameters by a molecular dynamics method, relaxing the obtained model at 0.1-300K for 10-100ps, and then heating and sintering at the rate of 0.01-1K/ps; (4) representing the change relation of the volume of the obtained sintering system along with the temperature; (5) when the volume of the sintering system is not reduced along with the increase of the temperature, the sintering is finished; (6) and the visual software observes the crystal structure of the atoms in the sintering system. The invention adopts a molecular dynamics method to theoretically simulate the sintering melting characteristics of the nano copper powder and theoretically guides the 3D printing laser sintering process.
Description
Technical Field
The invention relates to a method for simulating a molten state of 3D printing nano copper powder, and belongs to the field of nanotechnology and materials.
Background
The 3D printing technology is known as the third industrial revolution, and is mainly applied to the aerospace field, the medical field, the electronic field, and the like. The 3D printing technology of the nano copper powder is currently in a research and development stage, and a laser sintering process of 3D printing is simulated by adopting a theoretical calculation method, so that resources can be saved, and the research and development progress can be accelerated. The molecular dynamics method has the advantages of wide application range, small calculated amount and the like, and is mature in the aspect of simulated sintering.
At present, a theoretical particle model for simulating the sintering process of the nano copper powder by a molecular dynamics method is mainly a perfect face-centered cubic single crystal structure model, the melting point obtained when the sintering and melting process of the nano copper powder is simulated is higher, and the simulation optimization time is long. Therefore, a theoretical model with various defects is established based on a molecular dynamics method, and a set of simulation flow closer to the actual sintering melting state of the nano copper powder is designed to be very important, so that the method has important significance for the research in the field of nano metal material sintering.
Disclosure of Invention
The invention aims to provide a method for simulating the melting state of 3D printing nano copper powder, which adopts a molecular dynamics method to theoretically simulate the sintering melting characteristics of the nano copper powder and theoretically guides the 3D printing laser sintering process.
In order to achieve the purpose, the invention adopts the following technical scheme:
a method for simulating a molten state of 3D printing nanometer copper powder is characterized by comprising the following steps:
(1) determining the shape and the granularity of the nano copper powder;
(2) establishing a nano copper powder particle model with a perfect crystal structure, and manufacturing defects in the nano copper powder particle model with the perfect crystal structure to obtain a model for simulating the melting state of powder particles; the defects are point defects, line defects or surface defects;
(3) selecting proper simulation parameters by adopting a molecular dynamics method, relaxing the model obtained in the step (2) at 0.1-300K for 10-100ps, and then heating and sintering at the rate of 0.01-1K/ps;
(4) representing the volume change relation of the sintering system obtained in the step (3) along with the temperature;
(5) when the volume of the sintering system is not reduced along with the increase of the temperature, the sintering is finished;
(6) and the visual software observes the crystal structure of the atoms in the sintering system.
In the step (1), the morphology of the nano copper powder includes, but is not limited to, spherical, regular octahedral, truncated octahedral and regular icosahedral.
In the step (1), the particle size distribution of the nano copper powder is 1-20 nm.
In the step (2), the approach of establishing the nano copper powder particle model with the perfect crystal structure includes, but is not limited to, modeling software and programming, wherein the modeling software is, for example, Materials Studio, and the programming language includes, but is not limited to, Fortran, Python and C + +. Methods of creating defects include, but are not limited to, programming in languages including, but not limited to, Fortran, Python, C + +, by replacing the region of perfect crystal structure with the region of the defect created by the programming.
In the step (2), the point defects include but are not limited to vacancies, vacancy clusters, holes; the line defects are mainly dislocations, i.e. edge dislocations, screw dislocations or mixed dislocations; surface defects include, but are not limited to, grain boundaries, stacking faults, twin boundaries, and the like.
In the step (3), the molecular dynamics method can be implemented by a way including, but not limited to, a molecular dynamics software package including, but not limited to, LAMMPS or programmed computation using a language including, but not limited to, Fortran, Python, C + +.
In the step (4), the volume-to-temperature variation relationship is that the volume suddenly changes with temperature, that is, two volume values are generated for one temperature in a certain temperature range.
In the step (5), the volume of the sintering system is not reduced along with the increase of the temperature, which indicates that the sintering system is in a molten state at the moment.
In the step (6), the visualization software includes, but is not limited to, OVITO and VMD.
The invention has the advantages that:
1. the simulation method of the melting state of the nano copper powder reproduces the process of sintering the nano copper powder by 3D printing laser.
2. The nano copper powder particle model adopted by the invention is closer to the actual nano copper powder, and the model is used for representing the melting state of the nano pure metal powder, so that a more reasonable melting point can be obtained.
Drawings
FIG. 1 is a graph showing the volume change of the copper nanoparticle particles with a perfect crystal structure along with the temperature.
Fig. 2 is a graph showing the volume change of the copper nanoparticle particles having point defects with temperature.
Detailed Description
The present invention is described in detail below with reference to examples, but the scope of the present invention is not limited thereto.
Example 1
(1) Selecting spherical nanometer copper powder with the particle size of 2 nm;
(2) establishing a spherical nano copper powder model with a particle size of 2nm and a perfect crystal structure through Materials Studio;
(3) adopting LAMMPS software to select NPT ensemble and embedded atomic potential proposed by S.A.Etesimi and E.Asadi in 2018 as a potential function of the embodiment, relaxing the nano-copper powder model for 20ps at 0.1K, and heating from 0.1K to 1000K at the heating rate of 0.15K/ps;
(4) the volume change relation of the sintering system obtained in the step (3) along with the temperature is shown in figure 1;
(5) when the temperature of the sintering system is about 100K, about 570K and about 850K respectively, the volume of the sintering system is suddenly changed along with the temperature, wherein when the temperature is distributed at about 850K, the volume of the sintering system is not reduced along with the increase of the temperature, and the sintering is finished;
(6) the crystal structures of the internal atoms of the sintering system are respectively an amorphous structure, a face-centered cubic structure and a close-packed hexagonal structure (shown in figure 1).
Example 2
(1) Selecting spherical nanometer copper powder with the particle size of 2 nm;
(2) establishing a spherical nano copper powder model with a particle size of 2nm and a perfect crystal structure through Materials Studio, compiling a region with point defects through Fortran language, and replacing the region with an individual region with the perfect crystal structure to obtain the nano copper powder model with the point defects;
(3) adopting LAMMPS software to select NPT ensemble and embedded atomic potential proposed by S.A.Etesimi and E.Asadi in 2018 as a potential function of the embodiment, relaxing the nano-copper powder model for 20ps at 0.1K, and heating from 0.1K to 1000K at the heating rate of 0.15K/ps;
(4) the volume change relation of the sintering system obtained in the step (3) along with the temperature is shown in figure 2;
(5) when the temperature of the sintering system is about 600K, and the volume of the sintering system is not reduced along with the increase of the temperature, the sintering is finished;
(6) the crystal structures of the internal atoms of the sintering system are respectively an amorphous structure, a face-centered cubic structure and a close-packed hexagonal structure (shown in figure 2).
By comparing the two examples it was found that the sintering mold with defects more easily reaches the molten state and densification is more easily achieved.
Claims (10)
1. A method for simulating a molten state of 3D printing nanometer copper powder is characterized by comprising the following steps:
(1) determining the shape and the granularity of the nano copper powder;
(2) establishing a nano copper powder particle model with a perfect crystal structure, and manufacturing defects in the nano copper powder particle model with the perfect crystal structure to obtain a model for simulating the melting state of powder particles; the defects are point defects, line defects or surface defects;
(3) selecting proper simulation parameters by adopting a molecular dynamics method, relaxing the model obtained in the step (2) at 0.1-300K for 10-100ps, and then heating and sintering at the rate of 0.01-1K/ps;
(4) representing the volume change relation of the sintering system obtained in the step (3) along with the temperature;
(5) when the volume of the sintering system is not reduced along with the increase of the temperature, the sintering is finished;
(6) and the visual software observes the crystal structure of the atoms in the sintering system.
2. The simulation method according to claim 1, wherein the morphology of the copper nanopowder of step (1) is spherical, octahedral, truncated octahedral or icosahedral.
3. The simulation method according to claim 1, wherein the particle size distribution of the copper nanoparticles in step (1) is 1-20 nm.
4. The simulation method according to claim 1, wherein the modeling software or programming is used to build a model of the copper nanoparticles with perfect crystal structure, the modeling software is Materials Studio, and the programming language is Fortran, Python or C + +.
5. The simulation method of claim 1, wherein the defect is created by programming the defect area to replace the perfect crystal structure area in a language such as Fortran, Python or C + +.
6. The simulation method of claim 1, wherein the point defects are vacancies, vacancy clusters, voids; the line defects are edge dislocations, screw dislocations or mixed dislocations; the surface defect is a grain boundary, a stacking fault or a twin boundary.
7. The simulation method of claim 1, wherein the molecular dynamics method is implemented by a molecular dynamics software package or programmed computation, the molecular dynamics software package is LAMMPS, and the programming language is Fortran, Python or C + +.
8. The simulation method of claim 1, wherein the volume-versus-temperature relationship in step (4) is that the volume abruptly changes with temperature, i.e. two volume values occur for one temperature in a certain temperature range.
9. The modeling method of claim 1, wherein the volume of the sintering system of step (5) no longer decreases with increasing temperature, indicating that the sintering system is already in a molten state.
10. The simulation method according to claim 1, wherein the visualization software in step (6) is OVITO or VMD.
Priority Applications (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN201911237890.7A CN112927760A (en) | 2019-12-05 | 2019-12-05 | Simulation method for 3D printing of melting state of nano copper powder |
Applications Claiming Priority (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN201911237890.7A CN112927760A (en) | 2019-12-05 | 2019-12-05 | Simulation method for 3D printing of melting state of nano copper powder |
Publications (1)
| Publication Number | Publication Date |
|---|---|
| CN112927760A true CN112927760A (en) | 2021-06-08 |
Family
ID=76161391
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| CN201911237890.7A Pending CN112927760A (en) | 2019-12-05 | 2019-12-05 | Simulation method for 3D printing of melting state of nano copper powder |
Country Status (1)
| Country | Link |
|---|---|
| CN (1) | CN112927760A (en) |
Cited By (1)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN114464264A (en) * | 2021-12-31 | 2022-05-10 | 深圳晶泰科技有限公司 | Method and device for calculating crystal melting point based on molecular dynamics and storage medium |
Citations (8)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| JPH07261657A (en) * | 1994-03-19 | 1995-10-13 | Shozo Ishihara | Crystal structure model |
| JPH0844701A (en) * | 1994-08-02 | 1996-02-16 | Hirohiko Adachi | Method for predicting electron state of compound having structural defect |
| CN101114314A (en) * | 2006-07-25 | 2008-01-30 | 株式会社液晶先端技术开发中心 | Simulation apparatus and simulation method, and semiconductor device fabrication method |
| KR20170020296A (en) * | 2016-11-11 | 2017-02-22 | 인하대학교 산학협력단 | Forming materials and method for 3D printing based on irregular shape amorphous glass and structure body thereby |
| CN108090279A (en) * | 2017-12-15 | 2018-05-29 | 中国科学院合肥物质科学研究院 | Method based on hydridization LKMC and OKMC simulation nanostructured nuclear material irradiation damage |
| CN108959709A (en) * | 2018-06-04 | 2018-12-07 | 中国科学院合肥物质科学研究院 | Grain boundary structure searching method based on defect property and multi-scale Simulation |
| CN109332691A (en) * | 2018-10-31 | 2019-02-15 | 有研工程技术研究院有限公司 | A kind of laser sintered parameter determination method of copper nanoparticle 3D printing |
| CN109543211A (en) * | 2018-09-30 | 2019-03-29 | 兰州空间技术物理研究所 | Conductivity Calculation method under single-layer graphene intrinsic defect |
-
2019
- 2019-12-05 CN CN201911237890.7A patent/CN112927760A/en active Pending
Patent Citations (8)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| JPH07261657A (en) * | 1994-03-19 | 1995-10-13 | Shozo Ishihara | Crystal structure model |
| JPH0844701A (en) * | 1994-08-02 | 1996-02-16 | Hirohiko Adachi | Method for predicting electron state of compound having structural defect |
| CN101114314A (en) * | 2006-07-25 | 2008-01-30 | 株式会社液晶先端技术开发中心 | Simulation apparatus and simulation method, and semiconductor device fabrication method |
| KR20170020296A (en) * | 2016-11-11 | 2017-02-22 | 인하대학교 산학협력단 | Forming materials and method for 3D printing based on irregular shape amorphous glass and structure body thereby |
| CN108090279A (en) * | 2017-12-15 | 2018-05-29 | 中国科学院合肥物质科学研究院 | Method based on hydridization LKMC and OKMC simulation nanostructured nuclear material irradiation damage |
| CN108959709A (en) * | 2018-06-04 | 2018-12-07 | 中国科学院合肥物质科学研究院 | Grain boundary structure searching method based on defect property and multi-scale Simulation |
| CN109543211A (en) * | 2018-09-30 | 2019-03-29 | 兰州空间技术物理研究所 | Conductivity Calculation method under single-layer graphene intrinsic defect |
| CN109332691A (en) * | 2018-10-31 | 2019-02-15 | 有研工程技术研究院有限公司 | A kind of laser sintered parameter determination method of copper nanoparticle 3D printing |
Non-Patent Citations (1)
| Title |
|---|
| 施静敏: "3D打印用纳米铜粉的调控制备与激光烧结模拟", 工程科技I辑, no. 08, pages 15 - 17 * |
Cited By (1)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN114464264A (en) * | 2021-12-31 | 2022-05-10 | 深圳晶泰科技有限公司 | Method and device for calculating crystal melting point based on molecular dynamics and storage medium |
Similar Documents
| Publication | Publication Date | Title |
|---|---|---|
| JP6303016B2 (en) | Manufacturing method of layered objects | |
| CN111235417A (en) | High-performance aluminum-based composite material based on selective laser melting and forming and preparation method thereof | |
| EP3687720A1 (en) | High quality spherical powders for additive manufacturing processes along with methods of their formation | |
| CN110484838B (en) | Zr-based bulk amorphous alloy and preparation method thereof | |
| CN105537582A (en) | 316L stainless steel powder for 3D printing technology and preparation method thereof | |
| DE102009051479A1 (en) | Method and device for producing a component of a turbomachine | |
| CN110614376B (en) | Preparation method of tungsten-copper composite powder for 3D printing | |
| WO2016140064A1 (en) | Titanium powder, and ingot and sintered article of titanium powder | |
| CN108526488B (en) | Method for preparing titanium alloy part by increasing and decreasing materials | |
| CN101376170B (en) | Equipment for manufacturing magnesium base-carbon nano tube compound material and method for producing the same | |
| CN104175417B (en) | A kind of spheronization process of PEEK superfine powder | |
| CN112927760A (en) | Simulation method for 3D printing of melting state of nano copper powder | |
| Peng et al. | Formation process and mechanical properties in selective laser melted multi-principal-element alloys | |
| CN103521768A (en) | Manufacturing method of selective laser sintering composite material enhanced with nano-materials | |
| CN109332691B (en) | Method for determining nano copper powder 3D printing laser sintering parameters | |
| Akhoundi et al. | An experimental investigation of screw-based material extrusion 3D printing of metallic parts | |
| CN111710377B (en) | Test bar design method and system for evaluating influence of loosening defects on mechanical properties | |
| CN108372296A (en) | A kind of method that electron beam fuse prepares functionally graded material | |
| CN115029587B (en) | Oxide dispersion strengthening nickel-based superalloy manufactured by additive and preparation method thereof | |
| Du et al. | Effect of 316L stainless steel powder size distribution on selective laser melting process | |
| CN109732915A (en) | A kind of plastic powders nodularization equipment and its application | |
| CN111945026A (en) | Preparation method of laser-formed silicon carbide reinforced aluminum-based composite material | |
| CN111020262A (en) | Preparation method of graphene-reinforced aluminum alloy | |
| CN111961926A (en) | 3D printed nanoparticle reinforced aluminum-based composite powder and preparation method thereof | |
| US20240058862A1 (en) | Build materials having a powder mixture comprising graphene, methods of producing articles therefrom, and articles produced therewith |
Legal Events
| Date | Code | Title | Description |
|---|---|---|---|
| PB01 | Publication | ||
| PB01 | Publication | ||
| SE01 | Entry into force of request for substantive examination | ||
| SE01 | Entry into force of request for substantive examination | ||
| CB02 | Change of applicant information | ||
| CB02 | Change of applicant information |
Address after: 101407 No. 11 Xingke East Street, Yanqi Economic Development Zone, Huairou District, Beijing Applicant after: YOUYAN ENGINEERING TECHNOLOGY RESEARCH INSTITUTE Co.,Ltd. Applicant after: China Youyan Technology Group Co.,Ltd. Address before: 101407 No. 11 Xingke East Street, Yanqi Economic Development Zone, Huairou District, Beijing Applicant before: YOUYAN ENGINEERING TECHNOLOGY RESEARCH INSTITUTE Co.,Ltd. Applicant before: Youyan Technology Group Co.,Ltd. |