CN113593651B - Conductive silver paste component design and performance prediction method - Google Patents
Conductive silver paste component design and performance prediction method Download PDFInfo
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- CN113593651B CN113593651B CN202110847562.XA CN202110847562A CN113593651B CN 113593651 B CN113593651 B CN 113593651B CN 202110847562 A CN202110847562 A CN 202110847562A CN 113593651 B CN113593651 B CN 113593651B
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- silver paste
- conductive silver
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- conductive
- designing
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- BQCADISMDOOEFD-UHFFFAOYSA-N Silver Chemical compound [Ag] BQCADISMDOOEFD-UHFFFAOYSA-N 0.000 title claims abstract description 114
- 238000013461 design Methods 0.000 title claims abstract description 27
- 238000000034 method Methods 0.000 title claims abstract description 18
- 229910052709 silver Inorganic materials 0.000 claims abstract description 37
- 239000004332 silver Substances 0.000 claims abstract description 37
- 239000000463 material Substances 0.000 claims abstract description 36
- 238000000329 molecular dynamics simulation Methods 0.000 claims abstract description 14
- 239000000203 mixture Substances 0.000 claims abstract description 7
- 238000004364 calculation method Methods 0.000 claims abstract description 6
- 239000002245 particle Substances 0.000 claims description 25
- 239000005416 organic matter Substances 0.000 claims description 16
- 239000002904 solvent Substances 0.000 claims description 10
- 239000003125 aqueous solvent Substances 0.000 claims description 3
- 238000004519 manufacturing process Methods 0.000 abstract description 5
- 238000012827 research and development Methods 0.000 abstract description 4
- 230000009286 beneficial effect Effects 0.000 abstract description 3
- 238000011160 research Methods 0.000 abstract description 3
- 230000007547 defect Effects 0.000 abstract description 2
- 238000011161 development Methods 0.000 abstract description 2
- 238000010586 diagram Methods 0.000 description 3
- 238000002360 preparation method Methods 0.000 description 2
- 238000004088 simulation Methods 0.000 description 2
- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 0.000 description 2
- 229920002125 Sokalan® Polymers 0.000 description 1
- 238000013459 approach Methods 0.000 description 1
- 238000012986 modification Methods 0.000 description 1
- 230000004048 modification Effects 0.000 description 1
- 239000004584 polyacrylic acid Substances 0.000 description 1
- 239000002994 raw material Substances 0.000 description 1
- 239000007787 solid Substances 0.000 description 1
Classifications
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- 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
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C60/00—Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation
Abstract
The invention discloses a method for designing and predicting the performance of a conductive silver paste component, which comprises the following steps: designing a material system according to the target requirement of the conductive silver paste; according to a material system, establishing a conductive silver paste molecular dynamics model; changing component parameters of the conductive silver paste, and performing molecular dynamics simulation calculation to obtain simulated conductive silver paste performance; comparing the simulated conductive silver paste performance with the target conductive silver paste performance, and repeating the steps until a material composition design window meeting the requirements is obtained. According to the invention, the material component design can be rapidly completed by establishing the conductive silver paste molecular dynamics model to predict the material performance. The invention overcomes the defects of long time consumption and high cost of the traditional method for completing the design of the silver paste material based on experimental trial-and-error, can rapidly complete the design of the components of the silver paste material with low cost, assists in evaluating the reliability of the solution, shortens the design window of the components of the material, shortens the research and development period, reduces the research and development cost, and is beneficial to the research, development, production and application of the conductive silver paste.
Description
Technical Field
The invention belongs to the technical field of electronic circuit manufacturing, and relates to a conductive silver paste component design and performance prediction method.
Background
The conductive silver paste is used as one of key raw materials in the production of electronic circuits, the component design is crucial, and the final application performance of the conductive silver paste is determined. Meanwhile, due to the wide variety of application requirements, a very careful demand is put forward on the accuracy of the material composition design of the conductive silver paste. Thus, material composition design has long been one of the key issues in conductive silver paste production and research.
At present, the method for designing the components of the conductive silver paste material is to form a material component design window through experience, and verify and perfect a solution through an experimental trial-and-error method. For example, the prior patent 'a conductive silver paste and a preparation method and application thereof (ZL 201811450637.5)', the prior patent 'a conductive silver paste for flexible electronic paper and a preparation method thereof (ZL 201910544924.0)', and the like are all developed based on the idea. However, this approach is time consuming and costly, and it is difficult to meet the rapidly growing application demands of conductive silver paste products.
Disclosure of Invention
In order to solve the problems pointed out in the background art, the invention provides a conductive silver paste component design and performance prediction method.
The technical scheme adopted by the invention is as follows:
a conductive silver paste component design and performance prediction method comprises the following steps:
step one, designing a material system according to the target requirement of the conductive silver paste;
step two, establishing a conductive silver paste molecular dynamics model according to the material system; changing component parameters of the conductive silver paste, and performing molecular dynamics simulation calculation to obtain simulated conductive silver paste performance;
and thirdly, comparing the simulated conductive silver paste performance with the conductive silver paste target performance, and repeating the second and third steps until a material component design window meeting the requirements is obtained.
Further, in the first step, the target requirement includes one or more of viscosity, surface tension, thermal conductivity, wettability.
Further, in the first step, the design material system refers to determining the type of the conductive silver paste material, including the solvent type, the organic matter type and the silver particle type.
Further, the solvent types include aqueous solvents and oily solvents.
Further, the organic matter types include hydrophilic organic matters, lipophilic organic matters, and amphoteric organic matters.
Further, the silver particle type is one or any combination of spherical silver particles, silver flakes and silver wires.
Further, in the second step, the component parameters of the conductive silver paste include silver particle size, silver particle content, organic matter content and organic matter modulus.
Further, in the third step, if the target requirement of the conductive silver paste is a single requirement, performing single target comparison; if the target requirements of the conductive silver paste are various requirements, confirming the priority of the target requirements according to actual application, and comparing multiple targets according to the priority.
The invention has the beneficial effects that:
according to the invention, the material component design can be rapidly completed by establishing the conductive silver paste molecular dynamics model to predict the material performance. Compared with the existing method for completing material design based on experimental trial-and-error, the method overcomes the defects of long time consumption and high cost, assists in evaluating the reliability of a solution, shortens the design window of material components, shortens the research and development period, reduces the research and development cost, and is beneficial to the research, development, production and application of conductive silver paste.
Drawings
FIG. 1 is a schematic diagram of a molecular dynamics model of a conductive silver paste according to an embodiment of the present invention;
fig. 2 is a schematic diagram showing the relationship between the viscosity of the designed conductive silver paste and the solid content of silver particles in the embodiment of the invention.
Detailed Description
The invention relates to a material component design method for conductive silver paste application performance, which predicts the conductive silver paste performance of different component designs through large-scale molecular motion simulation and confirms the feasibility of a solution.
The method for predicting the composition and the performance of the conductive silver paste according to the invention is further described in detail below with reference to the accompanying drawings and specific examples.
A conductive silver paste component design and performance prediction method comprises the following steps:
step one, designing a material system according to the target requirement of the conductive silver paste.
The target requirement refers to one or more of viscosity, surface tension, heat conductivity and wettability of the conductive silver paste.
Designing a material system refers to determining the type of conductive silver paste material, including the type of solvent, the type of organic matter and the type of silver particles.
The types of solvents include aqueous solvents and oily solvents. The types of organic matter include hydrophilic organic matter, lipophilic organic matter, and amphoteric organic matter. The silver particles are one or any combination of spherical silver particles, silver flakes and silver wires.
And step two, establishing a conductive silver paste molecular dynamics model according to a material system. And (3) changing the component parameters of the conductive silver paste, and performing molecular dynamics simulation calculation to obtain the performance of the simulated conductive silver paste.
The parameters of the components of the conductive silver paste comprise silver particle size, silver particle content, organic matter content and organic matter modulus.
And thirdly, comparing the simulated conductive silver paste performance with the conductive silver paste target performance, and repeating the second and third steps until a material component design window meeting the requirements is obtained.
If the target requirement of the conductive silver paste is a single requirement, performing single target comparison; if the target requirements of the conductive silver paste are various requirements, confirming the priority of the target requirements according to actual application, and comparing multiple targets according to the priority.
The technical scheme of the invention is exemplified below by developing an aqueous conductive silver paste with a viscosity of 10 mPas.
Step one, analyzing application requirements of conductive silver paste and designing a material system.
The target requirement of the conductive silver paste of the embodiment is viscosity, the specific requirement is 10 mPa.s, and the silver paste system is defined as aqueous silver paste. Therefore, according to application requirements, the conductive silver paste material system is designed as follows: water is used as a solvent, spherical nano silver particles are used as a conductive component, and aqueous organic matter polyacrylic acid is used as an organic matter.
And secondly, establishing a conductive silver paste molecular dynamics model by a material system. And (3) changing the component parameters of the conductive silver paste, and performing molecular dynamics simulation calculation to obtain the performance of the simulated conductive silver paste.
Since the target requirement of the conductive silver paste in this example is viscosity, the main influencing parameters at this time are silver particle content and size, and thus the desired viscosity is obtained by changing the silver particle content and silver particle size. In the water box with uniform size, the silver particle content is represented by the number of silver particles, and the number of the silver particles is respectively 1, 2, 4, 8 and 16. The silver particle sizes were set to 4nm, 8nm, 10nm, 15nm, 20nm, 25nm, 30nm, respectively. The schematic diagram of the model is shown in fig. 1. And carrying out molecular dynamics simulation calculation on each group of models to obtain the viscosity values of the conductive silver paste under different component designs.
And thirdly, comparing the simulated conductive silver paste performance with the conductive silver paste target performance, and repeating the second and third steps until a material component design window meeting the requirements is obtained.
The viscosity values of the different conductive silver pastes are analyzed, and the simulation result shows that when the silver particle size is 20nm and the silver content is 18-20wt% (mass percent), the conductive silver paste with the viscosity of 10 mPas can be obtained, and the relationship between the silver content and the viscosity is shown in figure 2.
Although embodiments of the present invention have been described in connection with the accompanying drawings, various modifications and variations may be made by those skilled in the art without departing from the principles and scope of the invention, which is defined in the appended claims.
Claims (4)
1. The method for designing the components of the conductive silver paste and predicting the performance is characterized by comprising the following steps:
step one, designing a material system according to the target requirement of the conductive silver paste;
step two, establishing a conductive silver paste molecular dynamics model according to the material system; changing component parameters of the conductive silver paste, and performing molecular dynamics simulation calculation to obtain simulated conductive silver paste performance;
step three, comparing the simulated conductive silver paste performance with the conductive silver paste target performance, and repeating the step two and the step three until a material component design window meeting the requirements is obtained;
in the first step, the target requirement comprises one or more of viscosity, surface tension, heat conductivity coefficient and wettability; the design material system refers to determining the type of conductive silver paste material, including solvent type, organic matter type and silver particle type;
in the second step, the component parameters of the conductive silver paste comprise silver particle size, silver particle content, organic matter content and organic matter modulus;
and thirdly, if the target requirement of the conductive silver paste is a plurality of requirements, confirming the target requirement priority according to the actual application, and carrying out multi-target comparison according to the priority.
2. The method for designing and predicting the performance of a conductive silver paste composition according to claim 1, wherein the solvent type comprises an aqueous solvent and an oily solvent.
3. The method for designing and predicting the performance of a conductive silver paste composition according to claim 1, wherein the organic species include hydrophilic organic species, lipophilic organic species and amphoteric organic species.
4. The method for designing and predicting the performance of a conductive silver paste composition according to claim 1, wherein the type of silver particles is one or any combination of spherical silver particles, silver flakes and silver wires.
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