CN112613173A - Method for calculating and simulating absorptivity of gold-black film - Google Patents
Method for calculating and simulating absorptivity of gold-black film Download PDFInfo
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Abstract
The invention discloses a method for calculating and simulating the absorptivity of a gold-black film, which comprises the following steps: step S1, constructing a golden black model according to preset parameters, wherein the golden black model is composed of a plurality of clusters, the clusters are uniformly distributed, and golden black particles in the clusters are in Gaussian distribution; step S2, calculating the absorptivity of the golden black model according to the reflectivity and the transmittance of the incident light of the cluster; and step S3, adjusting the arrangement mode among the clusters until the error between the absorptivity and the experimental result reaches the expected standard. By adopting the technical scheme of the invention, a theoretical reference basis can be provided for the design of the gold-black film.
Description
Technical Field
The invention belongs to the technical field of physical optics application simulation, and particularly relates to a method for calculating and simulating the absorptivity of a gold-black film.
Background
The gold black film is an important broadband absorber, and the film is a porous cluster structure prepared under low pressure and can be prepared by a simple one-step method. The preparation process is simple, large-area preparation is easy, and the application is extremely wide. However, constructing a suitable theoretical model to analyze the change in absorption rate is also of great importance to the manufacturing process. In this respect, the Eden model [1] is the earliest proposed model concerning the porous structure in which each small particle is uniformly distributed, and is too simple to consider the morphological growth of the thin film, which is not in accordance with many practical phenomena, and is not suitable for the alloy black thin film, i.e., the thin film composed of a plurality of clusters. In addition, a Diffusion Limited Aggregation model [2] (DLA) was proposed by Witten and Sander in 1978, which takes into account the movement of atomic migration during film growth. However, during the growth of the gold black film, gold particles deposit on the substrate to form clusters, and therefore, this DLA model is not suitable for a porous film composed of clusters. The model suitable for the golden black film is provided to calculate the absorptivity, and a theoretical reference basis can be provided for the design of the golden black film.
Disclosure of Invention
The invention aims to solve the technical problems and provides a method for calculating and simulating the absorptivity of a gold-black film, which can provide a theoretical reference basis for the design of the gold-black film.
In order to achieve the purpose, the invention adopts the following technical scheme:
a method for simulating the calculation of the absorptivity of a gold-black film comprises the following steps:
step S1, constructing a golden black model according to preset parameters, wherein the golden black model is composed of a plurality of clusters, the clusters are uniformly distributed, and metal particles in the clusters are in Gaussian distribution;
step S2, calculating the absorptivity of the golden black model according to the reflectivity and the transmittance of the incident light of the cluster;
and step S3, adjusting the arrangement mode among the clusters until the error between the absorptivity and the experimental result reaches the expected standard.
Further, the preset parameters include: the thickness of the gold black thin film, the mass density of the gold black thin film, the cluster diameter, and the diameter of the gold black particles.
Further, when the sputtering pressure is 50Pa, the sputtering time is 30 minutes, the diameter of the obtained cluster is 190nm, and the thickness of the gold black film is 300 nm; when the sputtering pressure is 65Pa and the sputtering time is 30 minutes, the diameter of the obtained cluster is 390nm, and the thickness of the gold black film is 500 nm; when the sputtering pressure is 80Pa and the sputtering time is 30 minutes, the diameter of the obtained cluster is 560nm, and the thickness of the gold-black film is 710 nm;
the mass densities at sputtering pressures of 50Pa, 65Pa and 80Pa were 0.823cm-3、0.679cm-3And 0.537gcm-3;
The diameter of the single cluster gold black particles under the sputtering pressure of 50Pa, 65Pa and 80Pa is 5nm-20 nm;
the number of black particles in a single cluster under sputtering pressure of 50Pa, 65Pa and 80Pa is 164, 952 and 2200 respectively.
Further, the golden black model is: nine clusters are formed in a three-by-three arrangement by taking a single cluster as a basic repeating unit.
Further, in step 2, perfect matching layers are arranged above and below the clusters; and periodic boundaries are arranged around the cluster arrangement.
Further, an incident light source including from 0.3 μm visible light to 12 μm mid-infrared light is disposed over the periodically arranged clusters.
Further, an energy monitor is arranged above the incident light source and used for calculating the integral of the poynting vector on the unit area of the monitor on the upper part of the light source as the reflectivity;
an energy monitor is arranged below the periodic cluster, the integral of the poynting vector on the unit area of the monitor at the lower part of the cluster is calculated as the transmittance,
the absorptance of the gold black model was calculated by the absorptance 1-reflectance-transmittance.
Further, the range of the cluster spacing is less than the cluster diameter and greater than half the cluster diameter.
Further, grid division is carried out on the cluster region of the golden black model, and the grid is 4nm multiplied by 3.2nm multiplied by 4 nm.
Further, the expected standard is an error of less than 2%.
The method of the invention calculates the absorptivity of the gold-black film according to the constructed gold-black model, thereby realizing the calculation simulation of the absorptivity of the gold-black film, wherein clusters in the model are uniformly distributed, and metal particles in a single cluster are in Gaussian distribution. In practical application, the model can be used for calculating the absorption rate under certain experimental conditions, so that the experimental cost is saved to a great extent.
Drawings
Some specific embodiments of the present application will be described in detail hereinafter by way of illustration and not limitation with reference to the accompanying drawings. The same reference numbers in the drawings identify the same or similar elements or components. Those skilled in the art will appreciate that the drawings are not necessarily drawn to scale. Attached with
In the drawings
FIG. 1 is a flow chart of a method for simulating the calculation of the absorptivity of a gold-black thin film according to the present invention;
FIG. 2 is a schematic diagram of the method of the present invention;
FIG. 3 is a top view of the structure before adjusting the cluster arrangement of the golden black pattern;
fig. 4 is a top view of the structure after adjusting the cluster arrangement of the golden black model.
Detailed Description
The above and other objects, advantages and features of the present application will become more apparent to those skilled in the art from the following detailed description of specific embodiments thereof, taken in conjunction with the accompanying drawings.
As shown in fig. 1 and 2, the present invention provides a method for simulating the calculation of the absorptivity of a gold-black thin film, comprising:
step S1, constructing a golden black model according to preset parameters, wherein the golden black model is composed of a plurality of clusters, the clusters are uniformly distributed, and golden black particles in the clusters are in Gaussian distribution; wherein the preset parameters include: the thickness H of the gold black film, the mass density of the gold black film, the cluster diameter D and the diameter of the gold black particles;
step S2, calculating the absorptivity of the golden black model according to the reflectivity and the transmittance of the incident light of the cluster;
and step S3, adjusting the arrangement mode among the clusters until the error between the absorptivity and the experimental result reaches the expected standard.
By adopting the method, after the experimental simulation is started according to the simulation requirement, the absorption rate of the model is continuously adjusted and the influence of the spacing parameters and the cluster arrangement change on the absorption rate of the model is recorded until the error between the absorption rate and the experimental result reaches the expected standard, wherein the expected standard is that the error is less than 2%.
The gold black film is prepared by a sputtering method under different pressures, the same time and the same power. When the sputtering pressure is 50Pa, the sputtering time is 30 minutes, the diameter of the obtained cluster is 190nm, and the thickness of the gold-black film is 300 nm; when the sputtering pressure is 65Pa and the sputtering time is 30 minutes, the diameter of the obtained cluster is 390nm, and the thickness of the gold black film is 500 nm; when the sputtering pressure is 80Pa and the sputtering time is 30 minutes, the diameter of the obtained cluster is 560nm, and the thickness of the gold-black film is 710 nm; the mass density of the gold black film is calculated by the mass difference before and after the substrate sputtering, namely the mass density under the sputtering pressure of 50Pa, 65Pa and 80Pa is 0.823cm-3、0.679cm-3And 0.537gcm-3(ii) a The diameter of the single cluster gold black particles under the sputtering pressure of 50Pa, 65Pa and 80Pa is 5nm-20 nm; and calculating and determining the number of gold particles in each single cluster according to the mass density of the gold black film, namely the number of the gold particles in each single cluster is 164, 952 and 2200 under the sputtering pressure of 50Pa, 65Pa and 80 Pa. According to the data, the characteristics of the golden black model are as follows: with the increase of sputtering pressure, the thickness and the cluster diameter of the obtained gold-black film are gradually increased and linearly increased; and the mass density of the gold-black film is linearly reduced along with the increase of the sputtering pressure.
Further, the gold black particles form a Gaussian distribution, the middle is more gathered, the periphery is less gathered, and a cluster formed by stacking the gold black particles containing a plurality of pores is formed to be used as a single cluster. The golden black model is as follows: forming nine clusters in a three-by-three arrangement by taking a single cluster as a basic repeating unit; the range of the cluster pitch P is smaller than the cluster diameter and larger than half of the cluster diameter.
Further, in step 2, perfect matching layers are arranged above and below the clusters; and periodic boundaries are arranged around the cluster arrangement, the gold-black model comprises 9 clusters, and the gold-black model is arranged at the boundaries of a model area formed by the 9 clusters.
An incident light source is arranged above the periodically arranged clusters, the frequency is f, and the incident light energy source power (f) is 1, wherein the incident light source comprises 0.3 μm of visible light to 12 μm of middle infrared.
A first energy monitor is disposed above the incident light source for calculating an integral of the poynting vector over a unit area of the first energy monitor above the light source as a reflectance, as follows:
wherein S is1The unit area of the monitor at the upper part of the light source, P is the poynting vector, E is the electric field intensity, and H is the magnetic field intensity.
And arranging a second energy monitor below the periodic cluster, and calculating the integral of the poynting vector on the unit area of the second energy monitor at the lower part of the cluster as the transmittance, wherein the formula is as follows:
wherein S is2The unit area of the monitor at the lower part of the cluster, P is the poynting vector, E is the electric field strength, and H is the magnetic field strength. The absorptance of the gold black model was calculated by the absorptance 1-reflectance-transmittance.
Further, grid division is performed on a cluster region of the golden black model, firstly, influences of analysis on results by different grid sizes are adjusted, secondly, the number of grids in the cluster region is determined to be an integer, the grid size is a grid which does not influence calculation results and saves calculation resources most, and preferably, the grid is divided into 4nm × 3.2nm × 4 nm.
The working principle of the invention is as follows: after the simulation is started, firstly fixing the cluster spacing in the golden black model, and then adjusting the arrangement mode of the clusters; the arrangement of the clusters before adjustment is shown in fig. 3, that is, the clusters in the first row correspond to the clusters in the second row and the third row one by one; adjusting the cluster arrangement is as shown in fig. 4, continuously adjusting the displacement between clusters, and recording the influence of the displacement on the model absorptivity until the error from the experimental result is less than 2%. And finishing the simulation.
Compared with the prior art, the invention has the advantages that:
(1) the preset parameters of the invention are all based on experimental parameters, and are more suitable for practical situations.
(2) The invention considers the cluster growth of the gold-black film, specifies a model calculation method, provides that particles present Gaussian distribution in the cluster, and the calculated absorptivity of the method is fit with the experimental result, so that the error between the simulation result and the experimental result is very small.
(3) The invention is established based on a gold black film of 50Pa, 65Pa and 80 Pa; the linear change of the diameter and the height of the gold-black film cluster of the experimental scanning electron microscope result can be used for analyzing the absorption rate under other experimental pressures.
(4) The simulation method is formulated based on the film growth process and the traditional Eden model, is more suitable for the wide-band absorber of the golden black film, and has stronger practicability; but also to other metal black porous films such as aluminum black films.
Reference to the literature
[1]E.Murray,A two-dimensional growth process,Fourth berkeley symposium on mathematics,statistics and probability,4(1960)223-239.
[2]T.A.Witten,L.M.Sander,Diffusion-Limited Aggregation,a Kinetic Critical Phenomenon,Physical Review Letters,47(1981)1400-1403.
The above description is only for the preferred embodiment of the present application, but the scope of the present application is not limited thereto, and any changes or substitutions that can be easily conceived by those skilled in the art within the technical scope of the present application should be covered within the scope of the present application. Therefore, the protection scope of the present application shall be subject to the protection scope of the claims.
Claims (10)
1. A method for simulating the calculation of the absorptivity of a gold-black film is characterized by comprising the following steps:
step S1, constructing a golden black model according to preset parameters, wherein the golden black model is composed of a plurality of clusters, the clusters are uniformly distributed, and golden black particles in the clusters are in Gaussian distribution;
step S2, calculating the absorptivity of the golden black model according to the reflectivity and the transmittance of the incident light of the cluster;
and step S3, adjusting the arrangement mode among the clusters until the error between the absorptivity and the experimental result reaches the expected standard.
2. The method for simulating the calculation of the absorptivity of a gold black thin film according to claim 1, wherein said preset parameters include: the thickness of the gold black thin film, the mass density of the gold black thin film, the cluster diameter, and the diameter of the gold black particles.
3. The method for simulating the absorption rate calculation of the gold black film according to claim 2, wherein when the sputtering pressure is 50Pa, the sputtering time is 30 minutes, the cluster diameter is 190nm, and the thickness of the gold black film is 300 nm; when the sputtering pressure is 65Pa and the sputtering time is 30 minutes, the diameter of the obtained cluster is 390nm, and the thickness of the gold black film is 500 nm; when the sputtering pressure is 80Pa and the sputtering time is 30 minutes, the diameter of the obtained cluster is 560nm, and the thickness of the gold-black film is 710 nm;
the mass densities at sputtering pressures of 50Pa, 65Pa and 80Pa were 0.823cm-3、0.679cm-3And 0.537gcm-3;
The diameter of the single cluster gold black particles under the sputtering pressure of 50Pa, 65Pa and 80Pa is 5nm-20 nm;
the number of black particles in a single cluster under sputtering pressure of 50Pa, 65Pa and 80Pa is 164, 952 and 2200 respectively.
4. The experimental simulation method for absorptivity of gold black thin film according to claim 3, wherein the gold black model is: nine clusters in a three-by-three arrangement are formed by taking a single cluster as a basic repeating unit.
5. The method for simulating the absorptance calculation of a gold black thin film according to claim 4, wherein in the step 2, perfect matching layers are arranged above and below the clusters; and periodic boundaries are arranged around the cluster arrangement.
6. The method for simulating absorptance calculation of a gold black film according to claim 5, wherein an incident light source is disposed above the periodically arranged clusters, wherein the incident light source includes from 0.3 μm in visible light to 12 μm in mid-infrared light.
7. The method for simulating the absorptance calculation of a gold black thin film according to claim 6, wherein an energy monitor is disposed above the incident light source for calculating the integral of the poynting vector per unit area of the energy monitor above the light source as the reflectance;
an energy monitor is arranged below the periodic cluster, and the integral of the poynting vector on the unit area of the energy monitor on the upper part of the light source is calculated to be used as the transmittance;
the absorptance of the gold black model was calculated by the absorptance 1-reflectance-transmittance.
8. The method for simulating absorptance calculation of a gold black thin film according to claim 4 or 7, wherein the range of the cluster pitch is smaller than the cluster diameter and greater than half the cluster diameter.
9. The method for computational simulation of the absorptivity of a gold black thin film according to claim 4 or 7, wherein the cluster region of the gold black model is gridded, and the grid is 4nm x 3.2nm x 4 nm.
10. The method for modeling absorbance calculations for a gold black film according to claim 1 wherein said expected standard is an error of less than 2%.
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