Method, device and computer equipment for predicting rare earth quenching concentration in laser glass
Patent Information
- Application Number
- CN202410345340.1
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- Filing Date
- 2024-03-25
- Publication Date
- 2026-09-22
- Estimated Expiration
- 2044-03-25
AI Technical Summary
该方法存在周期长、效率低下以及成本高等问题，限制了激光玻璃的进一步发展
[0033]上述说明仅是本公开技术方案的概述，为了能够更清楚了解本公开的技术手段，并可依照说明书的内容予以实施，以下以本公开的较佳实施例并配合附图详细说明如后。
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Abstract
Description
Technical Field
[0001] This disclosure relates to the field of glass materials technology, and in particular to a method, apparatus and computer equipment for predicting the rare earth quenching concentration in laser glass. Background Technology
[0002] Glass is an extremely widely used inorganic material. Besides its applications in common daily consumer goods, construction, chemical, and medical fields, it is also widely used in many high-tech fields such as electronics, defense, transportation, and energy. Laser glass is a solid-state laser material with glass as its matrix, and it is the core gain medium for solid-state lasers and fiber lasers. Laser glass is typically doped with rare-earth metal ions, and the doping concentration of these ions is a crucial parameter determining the gain characteristics of the laser glass.
[0003] Generally, increasing the rare-earth doping concentration in laser glass is beneficial for increasing the number of particles in the excited state upper energy level, thereby improving laser output power and slope efficiency. It also helps to shorten the laser cavity length, thus facilitating device miniaturization and compactness. However, when the doping concentration increases to a certain value, excessively strong interactions between ions can increase energy transfer processes such as cross-relaxation, leading to a decrease in upper energy level lifetime and luminous intensity. Furthermore, it can cause phase separation or crystallization in the glass, reducing the solubility of rare-earth metal ions in the glass matrix. Under the combined effect of these two factors, the luminous intensity of laser glass initially increases and then decreases with increasing doping concentration. There exists an optimal rare-earth doping concentration corresponding to the maximum luminous intensity of the laser glass, called the rare-earth quenching concentration in the laser glass. Traditional techniques typically require a series of gradient experiments with different doping concentrations to ultimately determine the rare-earth quenching concentration in the laser glass. When the glass substrate or the doped rare-earth metal ions change, the experiment must be repeated to determine the rare-earth quenching concentration. This method suffers from long cycles, low efficiency, and high costs, limiting the further development of laser glass. Summary of the Invention
[0004] Therefore, it is necessary to provide a method for predicting the rare earth quenching concentration in laser glass to address the problems mentioned above in the background technology. This method aims to improve the efficiency of obtaining the rare earth quenching concentration, shorten the cycle of obtaining the rare earth quenching concentration, and reduce the cost while ensuring that the obtained rare earth quenching concentration results are relatively accurate.
[0005] According to some embodiments of this disclosure, a method for predicting the rare earth quenching concentration in laser glass is provided, which includes the following steps:
[0006] Obtain the target laser glass, and select the compounds that can be formed by the elements of each oxide component in the target laser glass as candidate compounds, and select neighboring compounds from the candidate compounds;
[0007] Establish a compositional relationship between the neighboring compounds and the target laser glass, the compositional relationship including the content of each of the neighboring compounds required to combine the oxide composition of the target laser glass; and,
[0008] The predicted quenching concentration of rare earth elements in the target laser glass is obtained by weighted calculation based on the content of each of the neighboring compounds and the quenching concentration of rare earth elements in each of the neighboring compounds.
[0009] In some embodiments of this disclosure, the step of obtaining the candidate compounds includes: calculating the formation energy of various atomic combinations in the matrix constituent elements of the target laser glass based on first principles, and screening out atomic combinations with a formation energy less than 0 as candidate compounds using a particle swarm optimization algorithm.
[0010] In some embodiments of this disclosure, the step of selecting at least one neighboring compound from the candidate compounds includes: selecting one or more of the candidate compounds that are closest in content to each oxide component in the target laser glass, based on the content of each oxide component in the target laser glass and the content of the candidate compounds, as the neighboring compound.
[0011] In some embodiments of this disclosure, the target laser glass contains m kinds of oxide components, and the content of the i-th oxide component in the target laser glass is denoted as a. i (1≤i≤m);
[0012] The step of selecting neighboring compounds from the candidate compounds includes:
[0013] The content of each oxide component in the candidate compound is obtained, and the content of the i-th oxide component in the candidate compound is denoted as b. i ;
[0014] The metric parameter d of each of the candidate compounds relative to the target laser glass is calculated using equation (1).
[0015] (1)
[0016] One or more of the candidate compounds with the smallest d-value are selected as neighboring compounds.
[0017] In some embodiments of this disclosure, the step of establishing the compositional relationship between the neighboring compound and the target laser glass includes:
[0018] The number of neighboring compounds is n, and each of the neighboring compounds is labeled according to 1 to n. The content of the i-th oxide component in the j-th neighboring compound is denoted as b.ij (1≤j≤n);
[0019] The content of the j-th neighboring compound required to form the oxide composition of the target laser glass is denoted as x. j The content of each of the adjacent compounds is calculated using equation (2);
[0020] (2).
[0021] In some embodiments of this disclosure, the quenching concentration of the rare earth element in the j-th neighboring compound is c. j And the predicted quenching concentration c* of rare earth elements in the target laser glass is obtained through equation (3):
[0022] (3).
[0023] In some embodiments of this disclosure, the target laser glass is a multi-component oxide glass, and the target laser glass is doped with a rare earth metal ion selected from Nd234N. 3+ Yb 3+ Er 3+ Tm 3+ Ho 3+ Pr 3 + Eu 3+ 、Sm 3+ Ce 3+ Dy 3+ and Tb 3+ One of them.
[0024] In some embodiments of this disclosure, the oxide composition of the target laser glass is barium oxide and boron oxide, and the alternative compounds are BaB2O4, BaB4O7, and BaB8O. 13 The adjacent compounds are two of the candidate compounds; or,
[0025] The oxide components in the target laser glass are lithium oxide, barium oxide, and boron oxide, and the alternative compounds are BaB2O4, BaB4O7, and BaB8O. 13 Ba2LiB5O 10 、BaLiB9O 15 Li3B 11 O 18 Li3B7O 12 LiB3O5, Li2B4O7 and LiBO2, wherein the neighboring compounds are three of the candidate compounds.
[0026] Furthermore, this disclosure also provides a device for predicting the rare earth quenching concentration in laser glass, comprising:
[0027] The alternative compound acquisition module is used to acquire compounds that can be formed by the elements of each oxide component in the target laser glass as alternative compounds.
[0028] The neighboring compound selection module is used to select neighboring compounds from candidate compounds;
[0029] A composition relationship calculation module is used to establish the composition relationship between the neighboring compounds and the target laser glass, wherein the composition relationship includes the content of each of the neighboring compounds required to combine the oxide composition of the target laser glass;
[0030] And a quenching concentration calculation module, used to perform a weighted calculation based on the content of each of the neighboring compounds and the quenching concentration of rare earth elements in each of the neighboring compounds, to obtain the predicted quenching concentration of rare earth elements in the target laser glass.
[0031] Furthermore, this disclosure also provides a computer device including a memory and a processor, the memory storing a computer program, and the processor executing the computer program to implement the method described in the above embodiments.
[0032] In the method for predicting the rare earth quenching concentration in laser glass described in the above embodiments, a weighted calculation is performed based on the content of each neighboring compound and the quenching concentration of rare earth elements in the neighboring compounds to obtain the predicted quenching concentration of rare earth elements in the target laser glass. This method ingeniously applies the research concept of materials genomes to laser glass research, creatively proposing the idea of using structurally simpler neighboring compounds as "structural units" for structurally more complex laser glasses. The quenching concentration of rare earth elements in the target laser glass is predicted based on the content of neighboring compounds and the quenching concentration of rare earth elements in the neighboring compounds. The error between the predicted result and the actual quenching concentration is low, and the prediction result is relatively accurate. Furthermore, this prediction method is applicable to various laser glass systems, enabling the prediction of rare earth quenching concentration throughout the entire glass composition space. This effectively improves the efficiency of obtaining rare earth quenching concentration, shortens the cycle of obtaining rare earth quenching concentration, and reduces costs.
[0033] The above description is only an overview of the technical solution of this disclosure. In order to better understand the technical means of this disclosure and to implement it in accordance with the contents of the specification, the preferred embodiments of this disclosure are described in detail below with reference to the accompanying drawings. Attached Figure Description
[0034] Figure 1 This is a method for predicting the rare earth quenching concentration in laser glass;
[0035] Figure 2 This is a device for predicting the concentration of rare earth quenching in laser glass. Detailed Implementation
[0036] To facilitate understanding of this document, a more comprehensive description will be provided below. Preferred embodiments are given herein. However, this document can be implemented in many different forms and is not limited to the embodiments described herein. Rather, these embodiments are provided to make the content of this document more thorough and comprehensive.
[0037] Unless otherwise defined, all technical and scientific terms used herein have the same meaning as commonly understood by one of ordinary skill in the art to which this document belongs. The terminology used herein in the specification is for the purpose of describing particular embodiments only and is not intended to be limiting of the document.
[0038] The terminology used herein is for the purpose of describing particular embodiments only and is not intended to limit this disclosure. When used herein, the singular forms “a,” “an,” and “the” are also intended to include the plural forms unless the context clearly indicates otherwise. It should also be understood that the terms “comprise” and / or “comprising,” when used in this specification, identify the presence of features, integers, steps, operations, elements, and / or parts, but do not exclude the presence or addition of one or more other features, integers, steps, operations, elements, parts, and / or groups. When used herein, the term “and / or” includes any and all combinations of the associated listed items.
[0039] Figure 1 This invention relates to a method for predicting the rare-earth quenching concentration in laser glass. (Refer to...) Figure 1 As shown, the prediction method includes steps S1 to S3, as detailed below.
[0040] Step S1: Obtain the target laser glass, and select the compounds that can be formed by the elements of each oxide component in the target laser glass as candidate compounds, and select neighboring compounds from the candidate compounds.
[0041] The target laser glass contains a glass matrix and rare earth metal ions. The glass matrix is typically composed of one or more oxide components, and can be represented as a combination of oxides. The elements in each oxide component refer to the elements present in all the oxides constituting the glass matrix. For example, when the matrix material of the laser glass is boron-barium glass, the elements in its oxide components are boron, barium, and oxygen. Similarly, when the matrix material of the laser glass is boron-barium-lithium glass, the elements in its oxide components are boron, barium, lithium, and oxygen.
[0042] In some examples of this embodiment, the target laser glass is a multi-component oxide glass, that is, the glass matrix of the target laser glass contains a variety of oxide components, and the target laser glass is doped with a rare earth metal ion.
[0043] In some examples of this embodiment, the rare earth metal ions are selected from Nd. 3+ Yb 3+ Er 3+ Tm 3+ Ho 3+ Pr 3+ Eu 3+ 、Sm 3+ Ce 3+ Dy 3+ and Tb 3+ One of them.
[0044] In some examples of this embodiment, the oxide composition of the laser glass contains a variety of elements that can form oxides with oxygen, that is, in addition to oxygen, the glass matrix of the laser glass also contains two or more elements.
[0045] In some examples of this embodiment, the step of obtaining candidate compounds includes: calculating the formation energy of various atomic combinations in the matrix constituent elements of the target laser glass based on first-principles calculations, and screening atomic combinations with formation energies less than 0 using a particle swarm optimization algorithm as candidate compounds. It is understood that various atoms in the matrix constituent elements can form many compounds with different stoichiometric ratios. Calculating their formation energies using first-principles calculations and screening for atomic combinations with formation energies less than 0 serves to ensure that the candidate compound can be spontaneously formed and stably exist by the matrix constituent elements, thereby enabling the acquisition of the quenching concentration of rare earth elements in subsequent steps.
[0046] In some examples of this embodiment, the candidate compound may be a composite oxide, that is, the candidate compound contains a variety of elements that can form oxides with oxygen, that is, in addition to oxygen, the candidate compound contains two or more elements.
[0047] In some examples of this embodiment, the oxide composition of the target laser glass is barium oxide and boron oxide, and the matrix elements are barium, boron, and oxygen. Based on first-principles calculations and particle swarm optimization algorithm screening, BaB2O4, BaB4O7, and BaB8O can be obtained. 13 To form an atom combination with an energy less than 0, the candidate compounds are BaB₂O₄, BaB₄O₇, and BaB₈O₄. 13 .
[0048] In some examples of this embodiment, the oxide composition of the target laser glass is lithium oxide, barium oxide, and boron oxide, and the matrix elements are barium, boron, lithium, and oxygen. Based on first-principles calculations and particle swarm optimization algorithm screening, BaB2O4, BaB4O7, and BaB8O can be obtained. 13 Ba2LiB5O 10 、BaLiB9O 15 Li3B 11 O 18 Li3B7O 12 Since LiB3O5, Li2B4O7, and LiBO2 are atomic combinations with formation energies less than 0, the candidate compounds are BaB2O4, BaB4O7, and BaB8O. 13 Ba2LiB5O 10 、BaLiB9O 15 Li3B 11 O 18 Li3B7O 12 LiB3O5, Li2B4O7 and LiBO2.
[0049] In some examples of this embodiment, the step of selecting at least one neighboring compound from the candidate compounds includes: selecting one or more candidate compounds that are closest in content to each oxide component in the target laser glass, based on the content of each oxide component in the target laser glass and the content in the candidate compounds, as neighboring compounds.
[0050] The purpose of selecting neighboring compounds from the candidate compounds is to screen out candidate compounds whose oxide composition is relatively close to that of the target laser glass. This makes the structure of the selected neighboring compounds more similar to the "structural units" of the target laser glass, thereby improving the accuracy of the prediction results. Furthermore, this content refers to the amount of substance.
[0051] In some examples of this embodiment, multiple neighboring compounds may be selected from the candidate compounds. For example, there may be two, three, or more than three neighboring compounds.
[0052] For ease of calculation, in this embodiment, the target laser glass is assumed to contain m kinds of oxide components, and the content of the i-th oxide component in the target laser glass is denoted as a. i (1≤i≤m)). The content of each oxide component in the target laser glass is then denoted as a1~a1. mFor example, assuming the target laser glass contains two oxide components, the contents of these two oxide components in the target laser glass can be denoted as a1 and a2, respectively. Assuming the target laser glass contains three oxide components, the contents of these three oxide components in the target laser glass can be denoted as a1, a2, and a3, respectively.
[0053] In some examples of this embodiment, the step of selecting neighboring compounds from candidate compounds is as follows: obtaining the content of each oxide component in the candidate compound, whereby the content of the i-th oxide component in the candidate compound is denoted as b. i The content of each oxide component in a candidate compound can be denoted as b1~b1 in sequence. m Then, the metric parameter d of each candidate compound can be calculated using equation (1), and one or more candidate compounds with the smallest d value are selected as neighboring compounds.
[0054] (1)
[0055] The calculation method shown in Equation (1) can quantitatively and accurately characterize the difference between the overall oxide composition in the candidate compound and its content in the target laser glass. The smaller the d value, the closer the overall oxide composition in the candidate compound and the target laser glass is to the overall oxide composition, and consequently, the higher the accuracy of the prediction results.
[0056] Furthermore, in some examples of this embodiment, when selecting candidate compounds as neighboring compounds, a preset measurement threshold can be used to select candidate compounds whose measurement parameter d value is less than the measurement threshold as neighboring compounds.
[0057] Step S2: Establish the compositional relationship between the neighboring compound and the target laser glass.
[0058] The compositional relationship includes the content of each neighboring compound required to form the oxide components of the target laser glass. In this prediction method, the neighboring compounds selected in step S1 are used as the "structural units" of the target laser glass. Accordingly, by matching the content of different neighboring compounds, the content of each oxide component can be made the same as the content of each oxide component in the target laser glass.
[0059] In some examples of this embodiment, the step of establishing the compositional relationship between the neighboring compounds and the target laser glass includes: the number of neighboring compounds is n, each neighboring compound is labeled according to 1 to n, and the content of the i-th oxide component in the j-th neighboring compound is denoted as b. ij (1≤j≤n). Let x be the content of the i-th neighboring compound required to form the oxide composition of the target laser glass. iThe content of each neighboring compound is calculated using equation (2);
[0060] (2).
[0061] It can be understood that equation (2) represents matrix operations, where b 11 ~b m1 b represents the content of each oxide component in the first neighboring compound. 1n ~b mn This represents the content of each oxide component in the m-th neighboring compound, x1~x n This represents the required content of n neighboring compounds. In the matrix operation shown in equation (2), b ij It can be obtained directly from the chemical formulas of the neighboring compounds, a i The values x1 to x2 can be obtained directly from the oxide composition of the target laser glass. n It can be obtained through calculation using equation (2).
[0062] Step S3: Based on the content of each neighboring compound and the quenching concentration of rare earth elements in each neighboring compound, a weighted calculation is performed to obtain the predicted quenching concentration of rare earth elements in the target laser glass.
[0063] In this embodiment, "weighted calculation" refers to using the content of each neighboring compound in the composition relationship as a weight, multiplying the weight by the quenching concentration of rare earth elements in the corresponding neighboring compound, and then summing the results to obtain the predicted quenching concentration of rare earth elements in the target laser glass.
[0064] In some examples of this embodiment, the methods for obtaining the quenching concentration of rare earth elements in neighboring compounds include, but are not limited to: preparing rare earth element-doped neighboring compounds and obtaining them through testing, obtaining them by consulting literature, and obtaining them by extrapolation based on existing results.
[0065] In some examples of this embodiment, the quenching concentration of the rare earth element in the j-th neighboring compound is c. j And the predicted quenching concentration c* of rare earth elements in the target laser glass is obtained through equation (3):
[0066] (3).
[0067] It can be understood that c* represents the predicted value of rare earth elements in the target laser glass. For example, when there are two neighboring compounds, n is 2, then the predicted quenching concentration of rare earth elements in the target laser glass is... .
[0068] It is understandable that by using the prediction methods described in steps S1 to S3, it is only necessary to obtain the quenching concentrations of rare earth elements in some neighboring compounds as a basis to accurately predict the quenching concentrations of rare earth elements in various laser glasses. Furthermore, when the quenching concentrations of rare earth elements in neighboring compounds are known, this prediction method can accurately determine the predicted quenching concentrations of rare earth elements in the laser glass simply through calculation.
[0069] This disclosure provides a method for predicting the rare earth quenching concentration in laser glass. In this method, the predicted quenching concentration of rare earth elements in the target laser glass is obtained by weighted calculation based on the content of each neighboring compound and the quenching concentration of rare earth elements in the neighboring compounds. This method ingeniously applies the research concept of materials genome to laser glass research, creatively proposing the idea of using structurally simple neighboring compounds as "structural units" for the more complex laser glass. The quenching concentration of rare earth elements in the target laser glass is predicted based on the content of neighboring compounds and the quenching concentration of rare earth elements in the neighboring compounds. The error between the predicted quenching concentration and the actual quenching concentration is low, and the prediction result is relatively accurate. Furthermore, this prediction method is applicable to various laser glass systems and can be further extended to other laser glass systems to achieve the prediction of rare earth quenching concentration in the entire glass composition space. This effectively improves the efficiency of obtaining rare earth quenching concentration, shortens the cycle of obtaining rare earth quenching concentration, and reduces costs.
[0070] Furthermore, such as Figure 2 As shown, this disclosure also provides a device for predicting the rare earth quenching concentration in laser glass, comprising:
[0071] The candidate compound acquisition module 110 is used to acquire compounds that can be formed by the elements of each oxide component in the target laser glass as candidate compounds.
[0072] The neighboring compound selection module 120 is used to select neighboring compounds from candidate compounds;
[0073] The composition relationship calculation module 130 is used to establish the composition relationship between neighboring compounds and the target laser glass. The composition relationship includes the content of each neighboring compound required to combine the oxide composition of the target laser glass.
[0074] And, the quenching concentration calculation module 140 is used to perform weighted calculations based on the content of each neighboring compound and the quenching concentration of rare earth elements in each neighboring compound to obtain the predicted quenching concentration of rare earth elements in the target laser glass.
[0075] In some examples of this embodiment, the candidate compound acquisition module 110 can be used to calculate the formation energy of various atomic combinations in the matrix constituent elements of the target laser glass using first-principles calculations, and to screen out atomic combinations with a formation energy less than 0 as candidate compounds using a particle swarm optimization algorithm.
[0076] In some examples of this embodiment, the neighboring compound selection module 120 can be used to calculate the metric parameter of each candidate compound according to equation (1) above, and select neighboring compounds according to the calculated metric parameter.
[0077] In some examples of this embodiment, the composition relationship calculation module 130 can be used to calculate the content of each neighboring compound required to form the oxide composition of the target laser glass according to equation (2) above.
[0078] In some examples of this embodiment, the quench concentration calculation module 140 can be used to calculate the predicted value of the quench concentration of rare earth elements in the target laser glass according to the above formula (3).
[0079] Further description of the device for predicting the rare-earth quenching concentration in laser glass and its usage can be found in the description of the prediction method for rare-earth quenching concentration in laser glass above, and will not be repeated here. Each module in the above prediction device can be implemented entirely or partially through software, hardware, or a combination thereof. These modules can be embedded in hardware or independently of the processor in a computer device, or stored in software in the memory of a computer device, so that the processor can call and execute the corresponding operations of each module.
[0080] Furthermore, this disclosure also provides a computer device including a memory and a processor, the memory storing a computer program, and the processor executing the computer program to implement the method for predicting the rare earth quenching concentration in laser glass as described in any of the above embodiments.
[0081] Furthermore, this disclosure also provides a computer-readable storage medium having a computer program stored thereon, which, when executed by a processor, implements the steps in the various method embodiments described above.
[0082] Those skilled in the art will understand that all or part of the processes in the methods of the above embodiments can be implemented by a computer program instructing related hardware. The computer program can be stored in a non-volatile computer-readable storage medium. When executed, the computer program can include the processes of the embodiments of the above methods. Any references to memory, storage, databases, or other media used in the embodiments provided in this application can include at least one of non-volatile and volatile memory. Non-volatile memory can include read-only memory (ROM), magnetic tape, floppy disk, flash memory, or optical storage, etc. Volatile memory can include random access memory (RAM) or external cache memory. By way of illustration and not limitation, RAM can be in various forms, such as static random access memory (SRAM) or dynamic random access memory (DRAM), etc.
[0083] To illustrate the implementation of the above-mentioned method for predicting the rare earth quenching concentration in laser glass and to explain its advantages, the following embodiments are also provided.
[0084] Example 1.1: Predicting Er 3+ Er in 45% (in mol%) BaO-55B2O3 laser glass 3+ Quenching concentration.
[0085] (1) According to the prediction method of this disclosure, firstly, the oxide components in the 45BaO-55B2O3 laser glass are Ba, B and O. Based on first-principles calculations, the formation energies of the combinations of Ba atoms, B atoms and O atoms are calculated. The particle swarm optimization algorithm is used to screen out the combinations of atoms with formation energies less than 0 as BaB2O4, BaB4O7 and BaB8O4. 13 They were used as candidate compounds.
[0086] (2) Calculate the measurement parameter d of each candidate compound relative to the target laser glass. The target laser glass contains two oxide components: BaO and B2O3. Calculate the measurement parameter d according to equation (1) above. For example, in 45BaO-55B2O3 laser glass, the BaO content (a1) is 0.45, and the B2O3 content (a2) is 0.55. In BaB2O4, the BaO content (b1) is 0.5, and the B2O3 content (b2) is 0.5. Therefore, the measurement parameter of BaB2O4 is... The result is 0.0708. Based on this, the metric parameter of BaB4O7 is calculated to be 0.3133, and that of BaB8O... 13 The metric parameter is 0.3746. The two compounds with the smaller metric parameters are selected as neighboring compounds, namely BaB₂O₄ and BaB₄O₇.
[0087] (3) Establish the compositional relationship between neighboring compounds and the target laser glass. Specifically, the content of BaO in BaB2O4 (b 11 The content of B2O3 in BaB2O4 is 0.5, which is 0.5. 21 The content of BaO in BaB4O7 is 0.5, which is 0.5. 12 The value is 0.33, BaB8O 13 The content of B2O3 in the middle (b 22 The content of BaB4O7 is 0.67. According to formula (2) above, the following formula can be obtained. After calculation, the content of BaB8O7 in the composition relationship is 77.78% x1 and BaB8O7 is 0.67%. 13 The content x2 is 22.22%.
[0088]
[0089] (4) Through experiments and literature review, Er was found to be the most suitable compound among the above candidate compounds. 3+ The quenching concentration results are shown in Table 1.
[0090] Table 1
[0091]
[0092] Based on the results in Table 1 and the composition relationship obtained in step (3), the predicted quenching concentration of rare earth elements in the target laser glass is calculated as c* = 77.78% × 1.7 + 22.22% × 1.4 ≈ 1.63 mol.
[0093] Example 1.2: Predicting Er 3+ Er in doped 40BaO-60B2O3 laser glass 3+ Quenching concentration.
[0094] The difference between Example 1.2 and Example 1.1 lies in the composition of the target laser glass. Following the calculation method of Example 1.1, neighboring compounds were obtained and compositional relationships were established. The predicted quenching concentration of rare earth elements in the target laser glass was calculated to be 1.55 mol.
[0095] Example 1.3: Predicting Er 3+ Er in doped 30BaO-70B2O3 laser glass 3+ Quenching concentration.
[0096] The difference between Example 1.3 and Example 1.1 lies in the composition of the target laser glass. Following the calculation method of Example 1.1, neighboring compounds were obtained and compositional relationships were established. The predicted quenching concentration of rare earth elements in the target laser glass was calculated to be 1.33 mol.
[0097] Example 1.4: Predicting Er 3+ Er in doped 25BaO-75B2O3 laser glass 3+ Quenching concentration.
[0098] The difference between Example 1.4 and Example 1.1 lies in the composition of the target laser glass. Following the calculation method of Example 1.1, neighboring compounds were obtained and compositional relationships were established. The predicted quenching concentration of rare earth elements in the target laser glass was calculated to be 1.22 mol.
[0099] Example 2.1: Predicting Er 3+ Er2O3 quenching concentration in doped 5Li2O-45BaO-50B2O3 glass.
[0100] (1) According to the prediction method of this disclosure, firstly, the oxide components of the 5Li2O-45BaO-50B2O3 laser glass are Li, Ba, B and O. Based on first-principles calculations, the formation energies of combinations of Li atoms, Ba atoms, B atoms and O atoms are selected by particle swarm optimization algorithm as BaB2O4, BaB4O7 and BaB8O4. 13 Ba2LiB5O 10 、BaLiB9O 15 Li3B 11 O 18 Li3B7O 12 LiB3O5 and Li2B4O7 were selected as candidate compounds.
[0101] (2) Calculate the metric parameter d of each candidate compound relative to the target laser glass. There are three oxide components in the target laser glass, namely Li2O, BaO and B2O3. Calculate the metric parameter d according to equation (1) above, and select the three compounds with smaller metric parameters as neighboring compounds.
[0102] (3) Establish the compositional relationship between the neighboring compound and the target laser glass. The specific calculation process is similar to that in Example 1.1, and will not be repeated here.
[0103] (4) Through experiments and literature review, Er was found to be the most suitable compound among the above candidate compounds. 3+ The quenching concentration results are shown in Table 2.
[0104] Table 2
[0105]
[0106] Based on the results in Table 1 and the composition relationship obtained in step (3), the predicted quenching concentration of rare earth elements in the target laser glass is calculated to be 1.62 mol.
[0107] Example 2.2: Predicting Er 3+ Er2O3 quenching concentration in doped 5Li2O-40BaO-55B2O3 glass.
[0108] The difference between Example 2.2 and Example 2.1 lies in the composition of the target laser glass. Following the calculation method of Example 2.1, neighboring compounds were obtained and compositional relationships were established. The predicted quenching concentration of rare earth elements in the target laser glass was calculated to be 1.43 mol.
[0109] Example 2.3: Predicting Er 3+ Er2O3 quenching concentration in doped 5Li2O-35BaO-60B2O3 glass.
[0110] The difference between Example 2.3 and Example 2.1 lies in the composition of the target laser glass. Following the calculation method of Example 2.1, neighboring compounds were obtained and compositional relationships were established. The predicted quenching concentration of rare earth elements in the target laser glass was calculated to be 1.34 mol.
[0111] Example 2.4: Predicting Er 3+ Er2O3 quenching concentration in doped 5Li2O-30BaO-65B2O3 glass.
[0112] The difference between Example 2.4 and Example 2.1 lies in the composition of the target laser glass. Following the calculation method of Example 2.1, neighboring compounds were obtained and compositional relationships were established. The predicted quenching concentration of rare earth elements in the target laser glass was calculated to be 1.38 mol.
[0113] Example 2.5: Predicting Er 3+ Er2O3 quenching concentration in doped 5Li2O-25BaO-70B2O3 glass.
[0114] The difference between Example 2.5 and Example 2.1 lies in the composition of the target laser glass. Following the calculation method of Example 2.1, neighboring compounds were obtained and compositional relationships were established. The predicted quenching concentration of rare earth elements in the target laser glass was calculated to be 1.43 mol.
[0115] Example 2.6: Predicting Er 3+ Er2O3 quenching concentration in doped 5Li2O-20BaO-75B2O3 glass.
[0116] The difference between Example 2.6 and Example 2.1 lies in the composition of the target laser glass. Following the calculation method of Example 2.1, neighboring compounds were obtained and compositional relationships were established. The predicted quenching concentration of rare earth elements in the target laser glass was calculated to be 1.35 mol.
[0117] Furthermore, the actual quenching concentration of the target laser glass in each of the above embodiments was tested experimentally, and the results are shown in Table 3.
[0118] Table 3
[0119]
[0120] As shown in Table 3 above, all the embodiments used the prediction method for rare earth quenching concentration in laser glass provided in this disclosure to obtain the predicted quenching concentration. The error between the predicted quenching concentration and the measured quenching concentration can be controlled within 5%, and the predicted value is in good agreement with the experimental value. This indicates that the prediction method can effectively predict the quenching concentration of various laser glasses with low prediction error. It can be used in various laser glass systems and can be further extended to other laser glass systems to predict the rare earth quenching concentration in the entire glass composition space. This can effectively improve the efficiency of obtaining rare earth quenching concentration, shorten the cycle of obtaining rare earth quenching concentration, and reduce costs.
[0121] Please note that the above embodiments are for illustrative purposes only and are not intended to limit the scope of this document.
[0122] It should be understood that, unless otherwise expressly stated herein, there is no strict order in which the steps are performed, and these steps may be performed in other orders. Moreover, at least some steps in the preparation process may include multiple sub-steps or multiple stages, which are not necessarily completed at the same time, but may be performed at different times. The execution order of these sub-steps or stages is not necessarily sequential, but may be performed alternately or in turn with other steps or at least some of the sub-steps or stages of other steps.
[0123] The various embodiments in this specification are described in a progressive manner, with each embodiment focusing on the differences from other embodiments. The same or similar parts between the various embodiments can be referred to each other.
[0124] The technical features of the above embodiments can be combined in any way. For the sake of brevity, not all possible combinations of the technical features in the above embodiments are described. However, as long as there is no contradiction in the combination of these technical features, they should be considered to be within the scope of this specification.
Claims
1. A method for predicting the rare earth quenching concentration in laser glass, characterized in that, The steps include the following: Obtain the target laser glass, and select the compounds that can be formed by the elements of each oxide component in the target laser glass as candidate compounds, and select neighboring compounds from the candidate compounds; The step of obtaining the candidate compounds includes: calculating the formation energy of various atomic combinations in the matrix constituent elements of the target laser glass based on first principles, and screening out atomic combinations with a formation energy less than 0 using a particle swarm optimization algorithm as candidate compounds; the step of selecting at least one neighboring compound from the candidate compounds includes: selecting one or more candidate compounds that are closest in content to each oxide component in the target laser glass and in the candidate compounds as the neighboring compounds, based on the content of each oxide component in the target laser glass and the content in the candidate compounds. Establish the compositional relationship between the neighboring compounds and the target laser glass, wherein the compositional relationship includes the content of each of the neighboring compounds required to combine the oxide components forming the target laser glass; the target laser glass contains m oxide components, and the content of the i-th oxide component in the target laser glass is denoted as a. i (1≤i≤m); The step of selecting neighboring compounds from the candidate compounds includes: The content of each oxide component in the candidate compound is obtained, and the content of the i-th oxide component in the candidate compound is denoted as b. i ; The metric parameter d of each of the candidate compounds relative to the target laser glass is calculated using equation (1). （1） One or more of the candidate compounds with the smallest d-value are selected as neighboring compounds; The steps for establishing the compositional relationship between the neighboring compound and the target laser glass include: The number of neighboring compounds is n, and each of the neighboring compounds is labeled according to 1 to n. The content of the i-th oxide component in the j-th neighboring compound is denoted as b. ij (1≤j≤n); The content of the j-th neighboring compound required to form the oxide composition of the target laser glass is denoted as x. j The content of each of the adjacent compounds is calculated using equation (2); （2）； as well as, The predicted quenching concentration of rare earth elements in the target laser glass is obtained by weighted calculation based on the content of each of the neighboring compounds and the quenching concentration of rare earth elements in each of the neighboring compounds; the quenching concentration of rare earth elements in the j-th neighboring compound is c. j And the predicted quenching concentration c* of rare earth elements in the target laser glass is obtained through equation (3): （3）。 2. The method for predicting the rare earth quenching concentration in laser glass according to claim 1, characterized in that, The target laser glass is a multi-component oxide glass, and it is doped with a rare earth metal ion selected from Nd234. 3+ Yb 3+ Er 3+ Tm 3+ Ho 3+ Pr 3+ Eu 3+ 、Sm 3+ Ce 3+ Dy 3+ and Tb 3+ One of them.
3. The method for predicting the rare earth quenching concentration in laser glass according to claim 1, characterized in that, The target laser glass contains barium oxide and boron oxide as oxides, and the alternative compounds are BaB2O4, BaB4O7, and BaB8O. 13 The adjacent compounds are two of the candidate compounds; or, The oxide components in the target laser glass are lithium oxide, barium oxide, and boron oxide, and the alternative compounds are BaB2O4, BaB4O7, and BaB8O. 13 Ba2LiB5O 10 、BaLiB9O 15 Li3B 11 O 18 Li3B7O 12 LiB3O5, Li2B4O7 and LiBO2, wherein the neighboring compounds are three of the candidate compounds.
4. A device for predicting the rare earth quenching concentration in laser glass, used in the method for predicting the rare earth quenching concentration in laser glass according to any one of claims 1 to 3, characterized in that, include: The alternative compound acquisition module is used to acquire compounds that can be formed by the elements of each oxide component in the target laser glass as alternative compounds. The neighboring compound selection module is used to select neighboring compounds from candidate compounds; A composition relationship calculation module is used to establish the composition relationship between the neighboring compounds and the target laser glass, wherein the composition relationship includes the content of each of the neighboring compounds required to combine the oxide composition of the target laser glass; And a quenching concentration calculation module, used to perform a weighted calculation based on the content of each of the neighboring compounds and the quenching concentration of rare earth elements in each of the neighboring compounds, to obtain the predicted quenching concentration of rare earth elements in the target laser glass.
5. A computer device, characterized in that, It includes a memory and a processor, wherein the memory stores a computer program, and the processor executes the computer program to implement the method as described in any one of claims 1 to 3.