Titanium alloy composition determination method and system based on spectrometer

Abstract

The present invention relates to the technical field of optical means for analyzing materials, and in particular to a method and system for determining the composition of a titanium alloy based on a spectrometer, comprising: obtaining a characterization absorption vector; constructing an actual concentration matrix and an element matrix of the titanium alloy according to the characterization absorption vector; constructing an initial regression model according to the element matrix and the actual concentration matrix; obtaining a relative light absorption matrix according to the characterization absorption vector; obtaining a corrected regression model according to the relative light absorption matrix and the initial regression model; obtaining a comprehensive non-absorption peak evaluation according to the characterization absorption vector; obtaining a suppression matrix according to the comprehensive non-absorption peak evaluation; obtaining an adjusted regression model according to the suppression matrix and the corrected regression model; obtaining a fitting error coefficient according to the adjusted regression model in combination with the actual concentration matrix, the element matrix and the suppression matrix of the titanium alloy; and obtaining a corrected spectrum of the titanium alloy according to the fitting error coefficient. The present invention obtains a composition determination result of the titanium alloy through the corrected spectrum of the titanium alloy, so that the composition determination result is more accurate.

Description

Technical Field

[0001] The invention relates to the technical field of optical material analysis, and in particular to a method and system for determining the composition of a titanium alloy based on a spectrometer. Background Art

[0002] As a high-performance material, titanium alloy is widely used in aerospace, shipbuilding, chemical industry and other fields. In order to ensure the quality and performance of titanium alloy, it is very important to accurately determine the composition of titanium alloy. Spectral analysis technology has become the preferred method for determining the composition of titanium alloy due to its rapid and non-destructive characteristics.

[0003] However, due to the presence of multiple elements and their complex interactions in titanium alloys, when using spectroscopy to detect the composition of titanium alloys, the superposition of absorption rates between different elements in the titanium alloy spectrum, as well as the superposition of deviations of non-absorption peaks caused by spectral interference, errors and other factors, lead to inaccurate composition determination results of various elements contained in titanium alloys using titanium alloy spectra. Summary of the invention

[0004] The invention provides a titanium alloy composition determination method and system based on a spectrometer to solve the existing problems.

[0005] The titanium alloy composition determination method and system based on spectrometer of the present invention adopts the following technical solutions:

[0006] The present invention proposes a method for determining the composition of a titanium alloy based on a spectrometer, the method comprising the following steps:

[0007] Obtaining the characterization absorption vector of the titanium alloy sample to be tested and the characterization absorption vector of the standard solution of each element and the reference solution of each concentration;

[0008] According to the characterization absorption vector of the titanium alloy sample to be tested, the actual concentration matrix of the titanium alloy is constructed; according to the characterization absorption vector of the reference solution of all concentrations of all elements, the element matrix is ​​constructed; according to the element matrix and the actual concentration matrix, an initial regression model is constructed;

[0009] According to the linear correlation between the characteristic absorption vectors of the standard solutions of all elements and the reference solutions of all concentrations, a relative absorption matrix is ​​obtained; according to the relative absorption matrix, the initial regression model is corrected to obtain a corrected regression model;

[0010] According to the difference of the dimension values ​​in the characterization absorption vector of the standard solution of each element, the comprehensive non-absorption peak evaluation of each dimension value in the characterization absorption vector of the standard solution of each element is obtained; according to the comprehensive non-absorption peak evaluation of all dimension values ​​in the characterization absorption vector of the standard solution of all elements, an inhibition matrix is ​​obtained; according to the inhibition matrix, the modified regression model is adjusted to obtain an adjusted regression model;

[0011] According to the adjusted regression model, combined with the actual concentration matrix, element matrix and inhibition matrix of the titanium alloy, the fitting error coefficient of each dimension in the characterization absorption vector of the titanium alloy sample to be tested is obtained; according to the fitting error coefficients of all dimensions in the characterization absorption vector of the titanium alloy sample to be tested, the values ​​to be corrected are screened, the values ​​to be corrected are corrected to obtain the titanium alloy corrected spectrum, and the titanium alloy composition is determined.

[0012] Furthermore, the initial regression model is constructed as follows:

[0013]

[0014] In the formula, is the actual concentration matrix of titanium alloy; is the element matrix; is the relative concentration matrix to be fitted; is the first error coefficient matrix to be fitted.

[0015] Furthermore, the relative absorption matrix is ​​obtained according to the linear correlation between the absorption vectors of the standard solutions of all elements and the reference solutions of all concentrations, and the specific steps include the following:

[0016] Fitting the dimension values ​​of the absorption vectors of the reference solution and the standard solution of any concentration of any element to obtain a fitting straight line, and the slope of the fitting straight line is recorded as the fitting relative absorbance of the reference solution of the concentration; the horizontal axis of the fitting straight line is the dimension value of the absorption vector of the standard solution of the element, and the vertical axis is the dimension value of the absorption vector of the reference solution of any concentration of the element;

[0017] Construct a concentration absorption rate function. The specific construction method of the concentration absorption rate function is:

[0018]

[0019] In the formula, For the The first element Relative absorbance of reference solution of different concentrations; For the The first element The concentration value of the reference solution of the concentration; is the correction factor of the concentration to be measured; is an exponential function with a natural constant as base; is a preset positive number;

[0020] The concentration value of any reference solution of any element is used as the concentration absorbance function. The fitted relative absorbance of the reference solution of this concentration is used as the concentration absorbance function , obtain the concentration correction coefficient of the reference solution of the element of the concentration to be measured, and record the average of the concentration correction coefficients of all reference solutions of the element of the concentration as the normal concentration correction coefficient of the element;

[0021] The matrix formed by vertically arranging the concentration absorption rate functions of all elements is recorded as the relative absorption matrix.

[0022] Furthermore, the specific calculation formula of the modified regression model is as follows:

[0023]

[0024] In the formula, is the actual concentration matrix of titanium alloy; is the element matrix; is the relative absorbance matrix; is the second error coefficient matrix to be fitted.

[0025] Furthermore, the method of obtaining a comprehensive non-absorption peak evaluation of each dimension value in the absorption vector characterizing the standard solution of each element according to the difference in the dimension value in the absorption vector characterizing the standard solution of each element includes the following specific steps:

[0026] The dimension value of any dimension in the characterization absorption vector of the standard solution of any element is recorded as the target dimension value, the ratio of the target dimension value to the maximum value of the dimension values ​​of all dimensions in the characterization absorption vector is calculated, and the inverse normalized result of the ratio is recorded as the non-absorption peak evaluation of the target dimension value; the minimum value of the non-absorption peak evaluation of the dimension value in the characterization absorption vector of the standard solution of all elements in the dimension where the target dimension value is located is recorded as the comprehensive non-absorption peak evaluation of the target dimension value.

[0027] Furthermore, the inhibition matrix is ​​obtained by evaluating the comprehensive non-absorption peaks of all dimensional values ​​in the absorption vector characterizing the standard solutions of all elements, and the specific steps include the following:

[0028] For any dimension value whose comprehensive non-absorption peak evaluation is greater than or equal to the preset evaluation threshold, the difference between 1 and the comprehensive non-absorption peak evaluation of the dimension value is recorded as the inhibition index of the dimension value; for any dimension value whose comprehensive non-absorption peak evaluation is less than the preset evaluation threshold, 1 is used as the inhibition index of the dimension value; the vector composed of the inhibition indices of the dimension values ​​of all dimensions in the characterization absorption vector of the standard solution of any element is recorded as the inhibition vector of the element; the inhibition vector of each element is taken as a column in the matrix in turn, and the constructed matrix is ​​recorded as the inhibition matrix.

[0029] Furthermore, the specific calculation formula of the adjusted regression model is as follows:

[0030]

[0031] In the formula, is the actual concentration matrix of titanium alloy; is the element matrix; is the relative absorbance matrix; is the transposed matrix of the suppression matrix; is the third error coefficient matrix to be fitted.

[0032] Furthermore, the adjustment of the regression model, combined with the actual concentration matrix, element matrix and inhibition matrix of the titanium alloy, obtains the fitting error coefficient of each dimension in the characterization absorption vector of the titanium alloy sample to be tested, including the following specific steps:

[0033] The relative absorbance matrix in the adjusted regression model is fitted to obtain a relative absorbance fitting matrix; the relative absorbance fitting matrix is ​​substituted into the adjusted regression model to obtain a third error coefficient matrix to be fitted; each value in the third error coefficient matrix to be fitted is a fitting error coefficient of a corresponding dimension in the characterization absorption vector of the titanium alloy sample to be tested.

[0034] Furthermore, the method of selecting the value to be corrected according to the fitting error coefficients of all dimensions in the absorption vector characterizing the titanium alloy sample to be tested, correcting the value to be corrected, and obtaining the titanium alloy corrected spectrum includes the following specific steps:

[0035] The result of standardizing and normalizing the absolute value of the fitting error coefficient of any dimension is recorded as the necessity of dimension correction;

[0036] The dimension value whose correction necessity in the characterization absorption vector of the titanium alloy sample to be tested is greater than a preset correction threshold is recorded as the value to be corrected; for any value to be corrected, the product of the inverse normalized result of the absolute value of the fitting error coefficient of the value to be corrected and the value to be corrected is recorded as the correction result of the value to be corrected; in the characterization absorption vector of the titanium alloy sample to be tested, each value to be corrected is replaced by the corresponding correction result to obtain the characterization absorption correction vector of the titanium alloy sample to be tested; according to the characterization absorption correction vector of the titanium alloy sample to be tested, a titanium alloy corrected spectrum is obtained.

[0037] The present invention also proposes a titanium alloy composition determination system based on a spectrometer, comprising a memory, a processor, and a computer program stored in the memory and running on the processor, wherein the processor executes the computer program stored in the memory to implement the steps of the aforementioned titanium alloy composition determination method based on a spectrometer.

[0038] The beneficial effects of the technical solution of the present invention are as follows: the present invention constructs an initial regression model through an element matrix and an actual concentration matrix, and preliminarily describes the change relationship between the absorbance of the standard solution of various elements and the solution to be tested at each wavelength; since the absorbance of various elements generally presents a nonlinear relationship with the concentration, the present invention obtains a relative absorbance matrix to reflect the change relationship between the concentration and the absorbance, and uses the relative absorbance matrix to correct the initial regression model to obtain a corrected regression model; for the problem of the absorbance deviation of the non-absorption peak caused by spectral interference or other interference factors, the present invention obtains an adjustment regression model by constructing a suppression matrix, suppresses the absorbance deviation of the non-absorption peak, and makes the constructed regression model more accurate; for the problem of the superposition of the absorbance between different elements in the titanium alloy spectrum and the superposition of the deviation of the non-absorption peak caused by spectral interference, error and other factors, the present invention obtains the fitting error coefficient according to the adjustment regression model, corrects the value to be corrected in the absorption vector, and obtains the titanium alloy corrected spectrum. So far, the present invention obtains the composition determination result of the titanium alloy through the titanium alloy corrected spectrum, so that the composition determination result of the titanium alloy is more accurate. BRIEF DESCRIPTION OF THE DRAWINGS

[0039] In order to more clearly illustrate the embodiments of the present invention or the technical solutions in the prior art, the drawings required for use in the embodiments or the description of the prior art will be briefly introduced below. Obviously, the drawings described below are only some embodiments of the present invention. For ordinary technicians in this field, other drawings can be obtained based on these drawings without paying creative work.

[0040] Figure 1 The present invention is a flow chart of the steps of the method for determining the composition of titanium alloy based on a spectrometer. DETAILED DESCRIPTION

[0041] In order to further explain the technical means and effects adopted by the present invention to achieve the predetermined invention purpose, the following is a detailed description of the spectrometer-based titanium alloy composition determination method and system proposed by the present invention, its specific implementation, structure, characteristics and effects, in conjunction with the accompanying drawings and preferred embodiments. In the following description, different "one embodiment" or "another embodiment" does not necessarily refer to the same embodiment. In addition, specific features, structures or characteristics in one or more embodiments may be combined in any suitable form.

[0042] Unless defined otherwise, 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 invention belongs.

[0043] The specific scheme of the titanium alloy composition determination method and system based on spectrometer provided by the present invention is described in detail below with reference to the accompanying drawings.

[0044] See also Figure 1 , which shows a flow chart of the steps of a method for determining titanium alloy composition based on a spectrometer provided by an embodiment of the present invention, the method comprising the following steps:

[0045] Step S001: Obtain the characterization absorption vector of the titanium alloy sample to be tested and the characterization absorption vectors of the standard solution of each element and the reference solution of each concentration.

[0046] It should be noted that the purpose of this embodiment is to obtain the fitting error coefficient of each dimension in the characterization absorption vector of the titanium alloy sample to be tested by constructing and adjusting the initial regression model, and to use the fitting error coefficient to correct the characterization absorption vector of the titanium alloy sample to be tested, so as to obtain the titanium alloy correction spectrum, reduce the interference between elements in the titanium alloy correction spectrum and reduce the phenomenon of spectral absorption rate superposition, improve the distinction of elements in the titanium alloy correction spectrum, and make the titanium alloy composition determination result more accurate. Therefore, firstly, the characterization absorption vector of the titanium alloy sample to be tested and the characterization absorption vector of the standard solution of each element and the reference solution of each concentration are obtained.

[0047] Specifically, a titanium alloy sample to be tested and various element samples are obtained, the titanium alloy sample is dissolved and diluted with an acid solution to obtain a solution to be tested, and the various element samples are dissolved and diluted with an acid solution to obtain reference solutions of various concentrations; wherein the various element samples include titanium, aluminum, vanadium, chromium, manganese, copper, iron, carbon, silicon, oxygen and nitrogen, and the order of the elements is recorded as the standard order of the elements; wherein the various concentrations include 100 mg / ml, 200 mg / ml, 300 mg / ml, 400 mg / ml and 500 mg / ml; a 100 mg / ml reference solution of any element sample is recorded as the standard solution of the element; a spectrometer is used to measure the solution to be tested to obtain a titanium alloy spectrum; a spectrometer is used to measure the reference solution of each concentration of each element to obtain a reference spectrum of the reference solution of each concentration of each element; the horizontal axis of the titanium alloy spectrum and the reference spectrum is the wavelength, and the vertical axis is the absorbance, and the wavelength resolution is 1 nm.

[0048] Furthermore, in a reference spectrum of a reference solution of any concentration of any element, any wavelength is taken as a dimension, the dimension value of the dimension is the absorbance corresponding to the wavelength, and all the dimension values ​​of the element are arranged in order from small to large according to the corresponding wavelength amplitude, forming a dimensional vector, which is recorded as the characteristic absorption vector of the reference solution;

[0049] As an example, the characterization absorption vector is formulated as:

[0050]

[0051] In the formula, Indicates The first element Characteristic absorption vector of reference solution with concentration; Indicates The first element The absorbance of the first wavelength of the reference solution with the concentration of Indicates The first element The absorbance of the second wavelength of the reference solution with the concentration of Indicates The first element The absorbance of the reference solution at the third wavelength. Indicates The first element The concentration of the reference solution Absorption rate at each wavelength; Indicates The first element The concentration of the reference solution Absorption rate at each wavelength; is the total number of wavelengths;

[0052] Any wavelength in the titanium alloy spectrum is taken as a dimension, the dimension value of the dimension is the absorbance corresponding to the wavelength, and all the dimension values ​​of the titanium alloy sample to be tested are arranged in order from small to large according to the corresponding wavelength amplitude to form a dimensional vector, which is recorded as the characterization absorption vector of the titanium alloy sample to be tested.

[0053] Step S002: constructing a titanium alloy actual concentration matrix according to the characterization absorption vector of the titanium alloy sample to be tested; constructing an element matrix according to the characterization absorption vectors of reference solutions of all concentrations of all elements; and constructing an initial regression model according to the element matrix and the actual concentration matrix.

[0054] It should be noted that, since the absorption rates of different elements in titanium alloys are independent and do not interfere with each other when absorbing light, the absorption spectrum of titanium alloys can be expressed as a combination of the absorption spectra of various elements at the same concentration, that is, the absorption spectrum of titanium alloys can be decomposed into the sum of the absorption rates of various elements at the corresponding wavelengths at the same concentration, so the initial regression model is constructed based on this. First, the actual concentration matrix of titanium alloys is constructed based on the characterization absorption vector of the titanium alloy sample to be tested; the element matrix is ​​constructed based on the characterization absorption vector of the reference solution of all elements at all concentrations; the initial regression model is constructed based on the element matrix and the actual concentration matrix.

[0055] Specifically, according to the standard arrangement order of the elements, the characterization absorption vector of the standard solution of each element is taken as a column in the matrix in turn, and the constructed matrix is ​​recorded as the element matrix;

[0056] Furthermore, the characteristic absorption vector of the titanium alloy sample to be tested is taken as a column of the matrix, and the constructed matrix is ​​recorded as the titanium alloy actual concentration matrix;

[0057] It should be noted that the characterization absorption vector of the titanium alloy sample to be tested is the vector sum of the absorbance of the characterization absorption vector of the standard solution of all elements in each dimension multiplied by the relative concentration corresponding to each element, so the initial regression model is constructed based on this.

[0058] Preferably, in one embodiment of the present invention, an initial regression model is constructed according to the element matrix and the actual concentration matrix, and the initial regression model is constructed as follows:

[0059]

[0060] In the formula, is the actual concentration matrix of titanium alloy; is the element matrix; is the relative concentration matrix to be fitted; is the first error coefficient matrix to be fitted; wherein, the number of columns of the relative concentration matrix to be fitted and the first error coefficient matrix to be fitted are both 1, the number of rows of the relative concentration matrix to be fitted is the same as the number of element types of the element sample, the number of rows of the first error coefficient matrix to be fitted is the same as the number of dimensions of the characterization absorption vector of the titanium alloy sample to be tested, any value in the relative concentration matrix to be fitted represents the fitted relative concentration of the element corresponding to the value in the test solution compared with that in the standard solution, and any value in the first error coefficient matrix to be fitted represents the fitting error of the fitting relative concentration of the wavelength corresponding to the value in the test solution compared with that in the standard solution.

[0061] Step S003: Obtain a relative absorbance matrix according to the linear correlation between the absorption vectors of the standard solutions of all elements and the reference solutions of all concentrations; and correct the initial regression model according to the relative absorbance matrix to obtain a corrected regression model.

[0062] It should be noted that when testing titanium alloys, the absorption rate of various elements generally shows a nonlinear relationship with the concentration, that is, as the concentration increases, the absorption rate of each element to light tends to be saturated, so it is necessary to construct a functional relationship between the concentration and the absorption rate of the element to reflect the changing relationship between the concentration and the absorption rate. First, the relative absorbance matrix is ​​obtained based on the linear correlation between the absorption vectors of the standard solutions of all elements and the reference solutions of all concentrations; then, the initial regression model is corrected based on the relative absorbance matrix to obtain a corrected regression model.

[0063] Preferably, in one embodiment of the present invention, a relative absorbance matrix is ​​obtained according to the linear correlation between the absorption vectors of the standard solutions of all elements and the reference solutions of all concentrations, which specifically includes: constructing a two-dimensional rectangular coordinate system with the dimension value of the absorption vector of the standard solution of any element as the horizontal axis and the dimension value of the absorption vector of the reference solution of any concentration of the element as the vertical axis, mapping the dimension values ​​of the same dimension of the absorption vector of the standard solution of the element and the absorption vector of the reference solution of the concentration to the two-dimensional rectangular coordinate system, performing linear fitting on all data points in the two-dimensional rectangular coordinate system using the least squares method, and recording the slope of the fitted straight line as the fitted relative absorbance of the reference solution of the concentration; wherein the least squares method is a well-known technique, and the specific method is not introduced here;

[0064] Construct a concentration absorption rate function. The specific construction method of the concentration absorption rate function is:

[0065]

[0066] In the formula, For the The first element Relative absorbance of reference solution of different concentrations; For the The first element The concentration value of the reference solution of the concentration; is the correction factor of the concentration to be measured; is an exponential function with a natural constant as base; It is a preset positive number with an empirical value of 0.1. It is used to prevent the denominator from being zero, which would make the fraction meaningless.

[0067] The concentration value of any reference solution of any element is used as the concentration absorbance function. The fitted relative absorbance of the reference solution of this concentration is used as the concentration absorbance function , obtain the concentration correction coefficient of the reference solution of the element at this concentration, and record the average of the concentration correction coefficients of all reference solutions of the element at this concentration as the normal concentration correction coefficient of the element.

[0068] The matrix formed by vertically arranging the concentration absorbance functions of all elements according to the standard arrangement order of the elements is recorded as the relative absorbance matrix.

[0069] Preferably, in one embodiment of the present invention, the initial regression model is corrected according to the relative absorbance matrix to obtain a corrected regression model, and the specific calculation formula of the corrected regression model is as follows:

[0070]

[0071] In the formula, is the actual concentration matrix of titanium alloy; is the element matrix; is the relative absorbance matrix; is the second error coefficient matrix to be fitted. The number of rows of the second error coefficient matrix to be fitted is the same as the number of dimensions of the absorption vector characterizing the titanium alloy sample to be tested, the number of columns is 1, and any value in the second error coefficient matrix to be fitted represents the fitting error of the relative absorbance matrix of the wavelength corresponding to the value in the test solution compared with that in the standard solution.

[0072] Step S004: According to the differences in the dimensional values ​​in the characterization absorption vector of the standard solution of each element, obtain the comprehensive non-absorption peak evaluation of each dimensional value in the characterization absorption vector of the standard solution of each element; according to the comprehensive non-absorption peak evaluation of all dimensional values ​​in the characterization absorption vector of the standard solutions of all elements, obtain the inhibition matrix; according to the inhibition matrix, adjust the modified regression model to obtain the adjusted regression model.

[0073] It should be noted that titanium alloy is a mixture of various elements in a certain proportion, and each element basically does not absorb light at certain non-absorption peaks. However, when measuring pure substances, the absorption rate at these non-absorption peaks is not completely zero due to spectral interference or other factors. When using the regression model to correct the titanium alloy spectrum, these non-zero deviations may be amplified after adjustment by the concentration absorption rate function, resulting in unsatisfactory correction effect of the titanium alloy correction spectrum, so it is necessary to correct the absorption rate of the regression model. First, according to the difference in the dimensional values ​​in the characterization absorption vector of the standard solution of each element, the comprehensive non-absorption peak evaluation of each dimensional value in the characterization absorption vector of the standard solution of each element is obtained; then, according to the comprehensive non-absorption peak evaluation of all dimensional values ​​in the characterization absorption vector of the standard solution of all elements, the inhibition matrix is ​​obtained; according to the inhibition matrix, the corrected regression model is adjusted to obtain the adjusted regression model.

[0074] It should be noted that in the characterization absorption vector of the reference solution of each concentration of each element, it is necessary to suppress the non-absorption peak caused by non-zero deviation, so the lower absorbance is suppressed; and due to the superposition of spectra of different elements in the spectrum, the slight interference caused by the deviation may increase, that is, for the wavelength corresponding to any matrix value in the element matrix, when the reference spectrum of the standard solution of all elements is a non-absorption peak at this wavelength, it is more necessary to suppress it.

[0075] Preferably, in one embodiment of the present invention, according to the difference of the dimension values ​​in the characterization absorption vector of the standard solution of each element, a comprehensive non-absorption peak evaluation of each dimension value in the characterization absorption vector of the standard solution of each element is obtained, specifically comprising: recording the dimension value of any dimension in the characterization absorption vector of the standard solution of any element as the target dimension value, calculating the ratio of the target dimension value to the maximum value of the dimension values ​​of all dimensions in the characterization absorption vector, and recording the inverse normalization result of the ratio as the non-absorption peak evaluation of the target dimension value; recording the minimum value of the non-absorption peak evaluation of the dimension value in the characterization absorption vector of the standard solution of all elements in the dimension where the target dimension value is located as the comprehensive non-absorption peak evaluation of the target dimension value;

[0076] Preferably, in one embodiment of the present invention, the suppression matrix is ​​obtained according to the comprehensive non-absorption peak evaluation of all dimensional values ​​in the characterization absorption vector of the standard solution of all elements, specifically including: for any comprehensive non-absorption peak evaluation greater than or equal to a preset evaluation threshold The dimension value of the dimension value is recorded as the difference between 1 and the comprehensive non-absorption peak evaluation of the dimension value as the inhibition index of the dimension value; for any comprehensive non-absorption peak evaluation less than the preset evaluation threshold The dimension value of , takes 1 as the suppression index of the dimension value; where, , this embodiment is described using this as an example; a vector composed of the inhibition indices of the dimension values ​​of all dimensions in the absorption vector characterizing the standard solution of any element is recorded as the inhibition vector of the element; according to the standard arrangement order of the elements, the inhibition vector of each element is taken as a column in the matrix in turn, and the constructed matrix is ​​recorded as the inhibition matrix.

[0077] Preferably, in one embodiment of the present invention, the modified regression model is adjusted according to the inhibition matrix to obtain an adjusted regression model, and the specific calculation formula of the adjusted regression model is as follows:

[0078]

[0079] In the formula, is the actual concentration matrix of titanium alloy; is the element matrix; is the relative absorbance matrix; is the transposed matrix of the suppression matrix; is the third error coefficient matrix to be fitted.

[0080] It should be noted that since the matrix values ​​that need to be suppressed in the element matrix belong to the non-absorption peaks of the reference spectrum of the standard solution of the element corresponding to the matrix value, and the corresponding absorption rate is not zero due to factors such as spectral interference and errors, these matrix values ​​need to be suppressed.

[0081] Step S005: According to the adjusted regression model, combined with the actual concentration matrix, element matrix and inhibition matrix of the titanium alloy, the fitting error coefficient of each dimension in the characterization absorption vector of the titanium alloy sample to be tested is obtained; according to the fitting error coefficients of all dimensions in the characterization absorption vector of the titanium alloy sample to be tested, the value to be corrected is screened, the value to be corrected is corrected, the titanium alloy corrected spectrum is obtained, and the titanium alloy composition is determined.

[0082] It should be noted that in the adjustment regression model, the transposed matrix of the actual concentration matrix, element matrix and inhibition matrix of the titanium alloy is known, so the relative absorbance matrix is ​​fitted and the fitting error coefficient of each dimension in the characterization absorption vector of the titanium alloy sample to be tested is obtained. The larger the absolute value of the fitting error coefficient, the greater the detection error of the titanium alloy spectrum actually detected at the corresponding wavelength, and the greater the degree of correction required, so the titanium alloy spectrum is corrected accordingly. First, according to the adjustment regression model, combined with the actual concentration matrix, element matrix and inhibition matrix of the titanium alloy, the fitting error coefficient of each dimension in the characterization absorption vector of the titanium alloy sample to be tested is obtained; then, according to the fitting error coefficients of all dimensions in the characterization absorption vector of the titanium alloy sample to be tested, the value to be corrected is selected, and the value to be corrected is corrected to obtain the titanium alloy corrected spectrum.

[0083] Specifically, the relative absorbance matrix in the adjusted regression model is fitted using the least squares method to obtain a relative absorbance fitting matrix; it should be noted that the number of rows in the relative absorbance fitting matrix is ​​the number of elements, and the number of columns is 1. Any value in the relative absorbance fitting matrix is ​​the fitted relative absorbance of the element corresponding to the value in the test solution compared with that in the standard solution; in the fitting process, the preset fitting accuracy is 1, and this embodiment is described as an example; the relative absorbance fitting matrix is ​​substituted into the adjusted regression model to obtain a third error coefficient matrix to be fitted; it should be noted that the number of rows in the third error coefficient matrix to be fitted is the total number of wavelengths, that is, the number of dimensions in the characterization absorption vector of the titanium alloy sample to be tested, and the number of columns is 1; each value in the third error coefficient matrix to be fitted is the fitting error coefficient of the corresponding dimension in the characterization absorption vector of the titanium alloy sample to be tested.

[0084] Preferably, in one embodiment of the present invention, the value to be corrected is screened according to the fitting error coefficients of all dimensions in the characterization absorption vector of the titanium alloy sample to be tested, and the value to be corrected is corrected to obtain a titanium alloy corrected spectrum, which specifically includes: the result of standardizing and normalizing the absolute value of the fitting error coefficient of any dimension is recorded as the necessity of correction of the dimension; the object of standardization is the absolute value of the fitting error coefficients of all dimensions in the characterization absorption vector of the titanium alloy sample to be tested, and the normalization object is the standardized result of the absolute value of the fitting error coefficients of all dimensions in the characterization absorption vector of the titanium alloy sample to be tested;

[0085] The necessity of correction in the characterization absorption vector of the titanium alloy sample to be tested is greater than the preset correction threshold The dimension value of is recorded as the value to be corrected; among them, , this embodiment is described using this as an example; for any value to be corrected, the product of the inverse normalized result of the absolute value of the fitting error coefficient of the value to be corrected and the value to be corrected is recorded as the correction result of the value to be corrected; in the characterization absorption vector of the titanium alloy sample to be tested, each value to be corrected is replaced by the corresponding correction result to obtain the characterization absorption correction vector of the titanium alloy sample to be tested; in the characterization absorption correction vector, each dimensional value corresponds to the absorbance of a wavelength, and according to the characterization absorption correction vector of the titanium alloy sample to be tested, a titanium alloy correction spectrum is obtained.

[0086] Furthermore, based on the corrected spectrum of the titanium alloy and combined with the known spectral database of each element, the content of each element in the titanium alloy sample to be tested is estimated to obtain the composition measurement result of the titanium alloy; among them, the method for estimating the content of each element in the titanium alloy sample to be tested is a well-known technology, and the specific method will not be introduced here.

[0087] It should be noted that compared with the titanium alloy spectrum before correction, the corrected titanium alloy spectrum reduces the superposition phenomenon of absorption rates between different elements, and reduces the deviation superposition problem of non-absorption peaks caused by spectral interference, errors and other factors, making the composition determination results of the titanium alloy more accurate.

[0088] At this point, this embodiment is completed.

[0089] The present invention also provides a titanium alloy composition determination system based on a spectrometer, comprising a memory, a processor, and a computer program stored in the memory and running on the processor, wherein the processor executes the computer program stored in the memory to implement the steps of the aforementioned titanium alloy composition determination method based on a spectrometer.

[0090] The above description is only a preferred embodiment of the present invention and is not intended to limit the present invention. Any modifications, equivalent substitutions, improvements, etc. made within the principles of the present invention should be included in the protection scope of the present invention.

Claims

1. A method for determining titanium alloy composition based on a spectrometer, characterized in that: The method comprises the following steps: Obtaining the characterization absorption vector of the titanium alloy sample to be tested and the characterization absorption vector of the standard solution of each element and the reference solution of each concentration; According to the characterization absorption vector of the titanium alloy sample to be tested, the actual concentration matrix of the titanium alloy is constructed; according to the characterization absorption vector of the reference solution of all concentrations of all elements, the element matrix is ​​constructed; according to the element matrix and the actual concentration matrix, an initial regression model is constructed; According to the linear correlation between the characteristic absorption vectors of the standard solutions of all elements and the reference solutions of all concentrations, a relative absorption matrix is ​​obtained; according to the relative absorption matrix, the initial regression model is corrected to obtain a corrected regression model; According to the difference of the dimension values ​​in the characterization absorption vector of the standard solution of each element, the comprehensive non-absorption peak evaluation of each dimension value in the characterization absorption vector of the standard solution of each element is obtained; according to the comprehensive non-absorption peak evaluation of all dimension values ​​in the characterization absorption vector of the standard solution of all elements, an inhibition matrix is ​​obtained; according to the inhibition matrix, the modified regression model is adjusted to obtain an adjusted regression model; According to the adjusted regression model, combined with the actual concentration matrix, element matrix and inhibition matrix of the titanium alloy, the fitting error coefficient of each dimension in the characterization absorption vector of the titanium alloy sample to be tested is obtained; according to the fitting error coefficients of all dimensions in the characterization absorption vector of the titanium alloy sample to be tested, the value to be corrected is screened, the value to be corrected is corrected, the titanium alloy corrected spectrum is obtained, and the titanium alloy composition is determined; The relative absorption matrix is ​​obtained according to the linear correlation between the absorption vectors of the standard solutions of all elements and the reference solutions of all concentrations, and the specific steps include the following: Fitting the dimension values ​​of the absorption vectors of the reference solution and the standard solution of any concentration of any element to obtain a fitting straight line, and the slope of the fitting straight line is recorded as the fitting relative absorbance of the reference solution of the concentration; the horizontal axis of the fitting straight line is the dimension value of the absorption vector of the standard solution of the element, and the vertical axis is the dimension value of the absorption vector of the reference solution of any concentration of the element; Construct a concentration absorption rate function. The specific construction method of the concentration absorption rate function is: In the formula, For the The first element Relative absorbance of reference solution of different concentrations; For the The first element The concentration value of the reference solution of the concentration; is the correction factor of the concentration to be measured; is an exponential function with a natural constant as base; is a preset positive number; The concentration value of any reference solution of any element is used as the concentration absorbance function. The fitted relative absorbance of the reference solution of this concentration is used as the concentration absorbance function , obtain the concentration correction coefficient of the reference solution of the element of the concentration to be measured, and record the average of the concentration correction coefficients of all reference solutions of the element of the concentration as the normal concentration correction coefficient of the element; The matrix formed by arranging the concentration absorption rate functions of all kinds of elements vertically is recorded as the relative absorption matrix; The method of obtaining a comprehensive non-absorption peak evaluation of each dimension value in the absorption vector characterizing the standard solution of each element according to the difference in the dimension value in the absorption vector characterizing the standard solution of each element includes the following specific steps: The dimension value of any dimension in the characterization absorption vector of the standard solution of any element is recorded as the target dimension value, the ratio of the target dimension value to the maximum value of the dimension values ​​of all dimensions in the characterization absorption vector is calculated, and the inverse normalization result of the ratio is recorded as the non-absorption peak evaluation of the target dimension value; the minimum value of the non-absorption peak evaluation of the dimension value in the characterization absorption vector of the standard solution of all elements in the dimension where the target dimension value is located is recorded as the comprehensive non-absorption peak evaluation of the target dimension value; The inhibition matrix is ​​obtained by evaluating the comprehensive non-absorption peaks of all dimensional values ​​in the absorption vector of the standard solutions of all elements, and the specific steps include the following: For any dimension value whose comprehensive non-absorption peak evaluation is greater than or equal to the preset evaluation threshold, the difference between 1 and the comprehensive non-absorption peak evaluation of the dimension value is recorded as the inhibition index of the dimension value; for any dimension value whose comprehensive non-absorption peak evaluation is less than the preset evaluation threshold, 1 is used as the inhibition index of the dimension value; the vector composed of the inhibition indices of the dimension values ​​of all dimensions in the characterization absorption vector of the standard solution of any element is recorded as the inhibition vector of the element; the inhibition vector of each element is taken as a column in the matrix in turn, and the constructed matrix is ​​recorded as the inhibition matrix.

2. The method for determining titanium alloy composition based on a spectrometer according to claim 1, characterized in that: The initial regression model is constructed as follows: In the formula, is the actual concentration matrix of titanium alloy; is the element matrix; is the relative concentration matrix to be fitted; is the first error coefficient matrix to be fitted.

3. The method for determining titanium alloy composition based on a spectrometer according to claim 1, characterized in that: The specific calculation formula of the modified regression model is as follows: In the formula, is the actual concentration matrix of titanium alloy; is the element matrix; is the relative absorbance matrix; is the second error coefficient matrix to be fitted.

4. The method for determining titanium alloy composition based on a spectrometer according to claim 1, characterized in that: The specific calculation formula of the adjusted regression model is as follows: In the formula, is the actual concentration matrix of titanium alloy; is the element matrix; is the relative absorbance matrix; is the transposed matrix of the suppression matrix; is the third error coefficient matrix to be fitted.

5. The method for determining titanium alloy composition based on a spectrometer according to claim 1, characterized in that: The method of adjusting the regression model, combining the actual concentration matrix, element matrix and inhibition matrix of the titanium alloy, and obtaining the fitting error coefficient of each dimension in the characterization absorption vector of the titanium alloy sample to be tested includes the following specific steps: Fitting the relative absorbance matrix in the adjusted regression model to obtain a relative absorbance fitting matrix; substituting the relative absorbance fitting matrix into the adjusted regression model to obtain a third error coefficient matrix to be fitted; Each value in the third error coefficient matrix to be fitted is a fitting error coefficient of a corresponding dimension in the characterization absorption vector of the titanium alloy sample to be tested.

6. The method for determining titanium alloy composition based on a spectrometer according to claim 1, characterized in that: The method of selecting the value to be corrected according to the fitting error coefficients of all dimensions in the characterization absorption vector of the titanium alloy sample to be tested, correcting the value to be corrected, and obtaining the titanium alloy corrected spectrum includes the following specific steps: The result of standardizing and normalizing the absolute value of the fitting error coefficient of any dimension is recorded as the necessity of dimension correction; The dimension value whose correction necessity in the characterization absorption vector of the titanium alloy sample to be tested is greater than the preset correction threshold is recorded as the value to be corrected; for any value to be corrected, the product of the inverse normalized result of the absolute value of the fitting error coefficient of the value to be corrected and the value to be corrected is recorded as the correction result of the value to be corrected; In the absorption vector representing the titanium alloy sample to be tested, each value to be corrected is replaced by the corresponding correction result to obtain the absorption correction vector representing the titanium alloy sample to be tested; According to the characteristic absorption correction vector of the titanium alloy sample to be tested, a titanium alloy correction spectrum is obtained.

7. A titanium alloy composition determination system based on a spectrometer, comprising a memory, a processor, and a computer program stored in the memory and running on the processor, characterized in that: When the computer program is executed by the processor, the steps of the method for determining the composition of a titanium alloy based on a spectrometer are implemented as described in any one of claims 1 to 6.

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