XRD automatic test system

By designing the XRD automatic testing system, combining industrial robots and automatic control hatch doors, the fully automated transformation of XRD instruments has been achieved, solving the problem of the inability to achieve continuous testing and lack of real-time data analysis in the existing technology, and improving testing efficiency and data processing ability.

CN119395060AActive Publication Date: 2025-02-07INSTITUTE OF PHYSICS CHINESE ACADEMY OF SCIENCES

Patent Information

Application Number
CN202411540052.8
Authority / Receiving Office
CN · China
Patent Type
Applications(China)
Current Assignee / Owner
Filing Date
2024-10-31
Publication Date
2025-02-07
Estimated Expiration
2044-10-31

AI Technical Summary

Technical Problem

The existing XRD instruments cannot achieve continuous testing, have artificial assembly errors, and lack real-time data analysis capabilities, which hinders the progress of independent experiments.

Method used

An XRD automatic testing system was designed, combining industrial robots and automatic control hatch doors to realize automatic sample assembly and wireless communication, equipped with a robotic arm and sample tray, which can automatically complete sample replacement and testing. The system is also equipped with batch data analysis. ability.

Benefits of technology

The fully automated transformation of XRD instruments is realized, and the continuous testing and data analysis of multiple samples can be carried out without human intervention, which improves the testing efficiency and data processing capabilities and reduces human error.

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Abstract

The XRD automatic test system provided by the invention comprises an XRD test device and an industrial robot, and the industrial robot is configured to sample a current sample to be tested; sending a cabin opening signal to the XRD test device to trigger the XRD test device to open a cabin door; a current to-be-tested sample is put into the XRD testing device through a mechanical arm of the XRD testing device, and a lofting completion signal is sent to the XRD testing device to trigger the XRD testing device to close a cabin door; after it is recognized that the XRD testing device closes the cabin door, a testing starting instruction is sent to the XRD testing device to trigger the XRD to start testing; wherein the industrial robot sends a test completion signal to the XRD test device after executing all the test instructions. The XRD testing device is configured to open a cabin door in response to a cabin opening signal; closing the cabin door in response to the lofting completion signal; testing the sample in response to the test starting instruction to obtain an XRD spectrum corresponding to the sample; and in response to the test completion signal, performing batch processing on the plurality of XRD maps to obtain a test report.
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Description

Technical Field

[0001] The invention relates to the field of metal material analysis and characterization, in particular to an automated metal material analysis technology, and more particularly to an XRD automatic testing system. Background Art

[0002] The research and development of metal materials is crucial to the development of modern industry and science and technology, supporting the development of many key fields such as construction, aerospace, automobiles, energy, electronics and electrical, medical, environment and national defense. Among them, the key to the research and development of alloys is to understand the relationship between the chemical composition, structure and performance of alloys, and the characterization and analysis of alloy structure is an indispensable link. X-ray diffraction (XRD), as a widely used non-destructive testing method, can provide important information such as material crystal structure, phase composition and grain size, and is an important means to characterize alloy structure.

[0003] The current XRD instruments mainly use manual sample loading and single spectral line analysis modes, which can meet the characterization and analysis of small batches of samples. However, with the development of data-driven artificial intelligence research paradigms, people expect to use artificial intelligence for autonomous experiments and verification, which poses a challenge to the automated continuous testing and data batch analysis capabilities of XRD instruments.

[0004] In order to integrate XRD into the autonomous experimental platform, the existing XRD needs to be automated. In terms of automated characterization, the XRD can be equipped with an electric-controlled displacement stage, which can independently complete multi-point automated collection. However, there are still many problems: First, continuous testing is impossible. After the test of a sample is completed, the existing XRD device requires the experimenter to manually participate in the replacement of the sample, which cannot achieve continuous testing of multiple samples, hindering the progress of autonomous experiments and easily introducing errors caused by human loading. On the other hand, the data analysis capability is insufficient. The existing XRD instrument is only responsible for data collection and storage, and has no data analysis capability. The traditional method is that the experimenter uses professional analysis software to process and judge the data in turn after getting the data. However, when the efficiency of data generation increases and the amount of data surges, the speed of manual processing cannot catch up with the data automatically produced 24 hours a day. Therefore, in order to realize the automated autonomous experiment of XRD, the ability of real-time data analysis is crucial. At present, none of the XRD manufacturers provide corresponding automation solutions, and the customization cost is very expensive, which is not conducive to the transformation of existing equipment.

[0005] Therefore, a simple and practical automation transformation method is urgently needed.

[0006] It should be noted that this background technology is only used to introduce the relevant information of the present invention to help understand the technical solution of the present invention, but it does not mean that the relevant information is necessarily the prior art. If there is no evidence that the relevant information has been disclosed before the application date of the present invention, the relevant information shall not be regarded as the prior art. Summary of the invention

[0007] Therefore, the object of the present invention is to overcome the defects of the prior art and provide a new XRD automatic testing system.

[0008] The present invention provides an XRD automatic testing system, comprising an XRD testing device and an industrial robot, wherein the XRD testing device and the industrial robot communicate wirelessly, the XRD testing device is equipped with an automatic control hatch, and the industrial robot is equipped with a mechanical arm, wherein: the industrial robot is configured to respond to multiple sample testing instructions one by one and perform the following steps in response to each test instruction: sampling the current sample to be tested; sending a hatch opening signal to the XRD testing device to trigger the XRD testing device to open the hatch; placing the current sample to be tested into the XRD testing device through its own mechanical arm and sending a sample placement completion signal to it to trigger the XRD testing device to close the hatch; after recognizing that the XRD testing device closes the hatch, sending a test start instruction to it to trigger the XRD to start the test; wherein, after the industrial robot executes all the test instructions, it sends a test completion signal to the XRD testing device. The XRD testing device is configured to: open the hatch in response to the hatch opening signal; close the hatch in response to the sample placement completion signal; test the sample in response to the test start instruction to obtain the XRD spectrum corresponding to the sample; and batch process multiple XRD spectra in response to the test completion signal to obtain a test report.

[0009] Preferably, the automatically controlled cabin door is a double-opening door, wherein each door is provided with a cylinder, and the cylinders on the two doors are configured to be connected or disconnected by telescopic means under the control of a remote signal to achieve the actions of opening and closing the doors, wherein, under the control of a cabin opening signal, the cylinders connected on the two doors retract to perform a disconnection operation to achieve the door opening action, and under the control of a lofting completion signal, the cylinders connected on the two doors extend to perform a connection operation to achieve the door closing action.

[0010] Preferably, the system is further configured with: a sample tray, which is a circular tray for placing the sample to be tested so that the robot arm can grab it and put it into the XRD testing device.

[0011] Preferably, the sample to be tested is in the form of a film or a block; wherein a groove for loading the sample to be tested is provided on the front of the sample tray, a positioning notch is provided on the inner side of the groove to indicate the direction in which the sample to be tested is placed in the groove, and two open notches are symmetrically provided on the edge of the tray for clamping by a robotic arm; a triangular protrusion is provided on the back of the sample tray for positioning the sample tray.

[0012] Preferably, the XRD testing device is provided with: a tray fixture which is circular and used to fix the sample tray, and a triangular groove is provided on the front side of the tray fixture to couple with the triangular protrusion on the back side of the sample tray.

[0013] Preferably, the sample tray is an acrylic plate; the tray fixture is a metal disc with threaded holes arranged around it and fixed in the XRD testing device by bolts.

[0014] Preferably, the XRD testing device is configured to batch process multiple XRD spectra in the following manner: perform background removal operation on multiple XRD spectrum data to obtain XRD signals after background removal; perform peak search operation in the XRD signals after background removal to obtain multiple peaks; perform fitting operation on the obtained peak types to obtain peak position information; perform phase clustering analysis using the peak position information obtained by fitting; and associate the phase clustering analysis results with the components to obtain analysis results.

[0015] Preferably, the XRD testing device is configured to perform background removal on the XRD image data in the following manner: divide the XRD spectrum data into 30 equal parts, calculate the average value of the data of each equal part and use the average value as the anchor point of the part; convert each anchor point into a background index point in the following manner :

[0016]

[0017] in, is the horizontal coordinate of the i-th anchor point, is the ordinate of the i-th anchor point, and

[0018]

[0019] A background signal is obtained by linear interpolation based on all background index points, and the background signal is subtracted from the XRD spectrum data based on the obtained background signal to obtain an XRD signal after background removal.

[0020] Preferably, the XRD testing device is configured to perform a peak search operation on the XRD signal after background removal according to a preset crystal peak signal criterion, wherein the preset crystal peak signal criterion is:

[0021]

[0022] in,

[0023]

[0024] , , The values ​​are all preset parameters, among which, is the value range of signal smoothing, To find the signal range of the local maximum, is the threshold value to be determined.

[0025] Preferably, y=5, W=50, and T=6σ, where σ is the data standard deviation of the noise portion of the signal.

[0026] Preferably, the XRD testing device is configured to use a Gaussian-Lorentzian method to perform a fitting operation on the peak shape.

[0027] Compared with the prior art, the advantages of the present invention are: the method of the present invention has strong universality and low cost, and can be used to fully automate the transformation of existing XRD equipment, and can also be used to build new intelligent laboratories; the overall method of the present invention is applicable to existing commercial XRD equipment, does not affect the structure and function of the original equipment, and does not rely on the communication interface service opened by the instrument manufacturer; the sample tray and fixture designed by the present invention can adapt to different types of samples, such as blocks, films, etc., eliminating the cumbersome sample loading and height correction process; the data batch processing method of the present invention can process the data collected by the instrument in real time, and perform phase classification, which speeds up the flow and processing efficiency of the data. Compared with the existing XRD processing software, the batch processing capability of this method is stronger, and it has good adaptability, and can automatically read the data generated by different XRD models; the automation solution provided by the present invention can feed back the test results to the artificial intelligence model without human intervention. BRIEF DESCRIPTION OF THE DRAWINGS

[0028] The embodiments of the present invention are further described below with reference to the accompanying drawings, in which:

[0029] Figure 1 A schematic diagram of the XRD automatic testing system according to an embodiment of the present invention;

[0030] Figure 2 A schematic diagram of automatic door closing of an XRD testing device according to an embodiment of the present invention;

[0031] Figure 3 A schematic diagram of an automatic door opening of an XRD testing device according to an embodiment of the present invention;

[0032] Figure 4is a front schematic diagram of a sample tray according to an embodiment of the present invention;

[0033] Figure 5 is a schematic diagram of the back side of a sample tray according to an embodiment of the present invention;

[0034] Figure 6 This is a schematic diagram of the effect of an industrial robot clamping a sample tray according to an embodiment of the present invention;

[0035] Figure 7 is a schematic diagram of a pallet clamp according to an embodiment of the present invention;

[0036] Figure 8 is a schematic diagram of a flow chart of a system according to an embodiment of the present invention being used for testing;

[0037] Fig. 9 A schematic diagram of an XRD spectrum array scanning result according to an embodiment of the present invention;

[0038] Fig.10 is a schematic diagram of phase classification results according to an embodiment of the present invention;

[0039] Fig.11 Schematic diagram of XRD spectrum according to an embodiment of the present invention. DETAILED DESCRIPTION

[0040] In order to make the purpose, technical solutions and advantages of the present invention more clearly understood, the present invention is further described in detail by specific embodiments below. It should be understood that the specific embodiments described herein are only used to explain the present invention and are not used to limit the present invention.

[0041] As described in the background technology, the XRD instruments under the prior art cannot be tested continuously, are prone to introduce manual sample loading errors, and do not have sufficient data analysis capabilities. In order to solve these problems, the present invention proposes a new XRD automatic testing system capable of automatic sample loading and data analysis. In the scheme of the present invention, samples are automatically loaded by industrial robots, and a phase batch analysis method is designed to quickly analyze multiple samples. Thus, the system of the present invention can efficiently and accurately process multiple samples, while reducing the impact of manual operation on the analysis results. Through the automated sample loading technology, rapid replacement and positioning of different samples can be achieved, improving the efficiency and accuracy of sample processing. In addition, combined with the phase batch analysis method, multiple samples can be quickly screened and classified, providing a guarantee for the rapid identification of metal materials and data quality control.

[0042] In order to better understand the present invention, the present invention is described in detail from multiple aspects such as system structure and working mode in conjunction with the accompanying drawings and embodiments.

[0043] 1. System Structure

[0044] In summary, if Figure 1 As shown, the XRD automatic testing system of the present invention includes an XRD testing device 1 and an industrial robot 2. The XRD testing device and the industrial robot communicate wirelessly. The XRD testing device is equipped with an automatic control hatch, and the industrial robot is equipped with a mechanical arm. Under the control of the sample test instruction, the industrial robot completes the following actions: sampling the current sample to be tested; sending a hatch opening signal to the XRD testing device to trigger the XRD testing device to open the hatch; placing the current sample to be tested into the XRD testing device through its own mechanical arm and sending a sample placement completion signal to it to trigger the XRD testing device to close the hatch; after recognizing that the XRD testing device closes the hatch, sending a test start instruction to it to trigger the XRD to start the test; wherein, after the industrial robot executes all the test instructions, it sends a test completion signal to the XRD testing device. The XRD testing device is configured to: open the hatch in response to the hatch opening signal; close the hatch in response to the sample placement completion signal; test the sample in response to the test start instruction to obtain the XRD spectrum corresponding to the sample; and batch process multiple XRD spectra in response to the test completion signal to obtain a test report. Among them, the industrial robot can continuously repeat the test instructions until the sample test is completed.

[0045] According to one embodiment of the present invention, the automatic control hatch of the XRD testing device is realized by installing a power mechanism on the basis of the existing double-door hatch, without making any destructive changes to the equipment, such as Figure 2 As shown in the figure, a cylinder-controlled pull rod is installed outside the XRD door lock. The cylinder can be controlled by a remote signal to simulate the opening and closing behavior of a person. When the XRD test device receives the cabin opening signal from the industrial robot, the cylinder sends a sample placement signal, and the electronic door lock of the instrument will automatically open; wait until the indicator light comes on, such as Figure 3 As shown, the cylinders connected on both sides retract, pulling the sliding doors on both sides to open automatically; when the industrial robot completes the layout and sends a layout completion signal to the XRD, the cylinders on both sides automatically extend to close the doors.

[0046] According to one embodiment of the present invention, in order to facilitate the sampling and placement of industrial robots, a professional sample tray is designed in the present invention to facilitate the robot to place the sample to be tested. Generally, the sample to be tested is in the form of a film or block. In order to facilitate the industrial robot to place the sample, such as Figure 4 The present invention provides a groove for loading the sample to be tested on the front of the sample tray, a positioning notch is provided inside the groove to indicate the direction in which the sample to be tested is placed in the groove, and two open notches for the robot arm to clamp are symmetrically provided on the edge of the tray. Figure 5As shown, the sample tray is provided with a triangular protrusion on the back for positioning the sample tray. For example, a sample tray suitable for a 4-inch film may have a 100 mm circular groove on the upper surface, and the groove has a closed notch (positioning notch) for film direction positioning, and can be fixed on the sample tray in a specified direction. There are open notches on both sides of the groove for facilitating the placement of film samples by the robot arm gripper. Such a sample tray can also be applied to bulk metal sample trays after appropriate modification.

[0047] According to one embodiment of the present invention, still referring to Figure 1 In the present invention, the industrial robot used for taking and placing samples is fixed in front of the XRD testing device, and its mechanical arm can swing flexibly. When the system receives the sample testing instruction, the industrial robot puts the sample tray with the sample into the designated XRD fixture. The industrial robot takes and places samples without touching the internal mechanism of the XRD, simulating manual sampling, and the mechanical arm goes deep into the interior to gently place the sample according to the positioning.

[0048] According to one embodiment of the present invention, in order to facilitate the industrial robot to position the sample tray, the XRD testing device is provided with a tray fixture matching the sample tray, such as Figure 6 As shown, the tray fixture is circular, and a triangular groove is provided on its front side to couple with the triangular protrusion on the back side of the sample tray. According to one embodiment of the present invention, in order to avoid signal interference, the sample tray is made of acrylic plate, and the tray fixture is a metal disc with threaded holes around it and fixed in the XRD test device by bolts.

[0049] Figure 8 The workflow of the system of the present invention is intuitively shown. When the system of the present invention is used for automatic sample testing, it mainly includes the following steps:

[0050] Send instructions: The user sends test instructions to the automation system;

[0051] Sampling: The industrial robot goes to the designated location, places the sample in a special sample tray, and transports it to the XRD instrument;

[0052] Open the hatch: The industrial robot communicates with the XRD equipment or simulates manual operation to trigger the hatch opening button and open the hatch;

[0053] Sample placement: The industrial robot places the dedicated sample tray on the pre-designed XRD fixture, exits the robotic arm and triggers the XRD test device to close the hatch;

[0054] Opening test: After the industrial robot recognizes the hatch closing signal light through the visual sensor, it sends a test instruction to the automation system;

[0055] Collect data: The automated system detects that the test has been completed and transfers the path file to the database for classification and awaits analysis;

[0056] Analyze data: The automated system removes background, finds peaks, and fits peak shapes on XRD patterns, and performs cluster analysis of alloy phases based on peak positions and peak widths;

[0057] After the test is completed, a report is generated: the phase structure classification and experimental data of the corresponding alloy are formed into a test report and stored in the database;

[0058] Start a new round of testing: The automated system starts a new round of testing based on new instructions.

[0059] According to one embodiment of the present invention, the system of the present invention uses a batch processing method to process XRD patterns to avoid the inefficiency caused by manual analysis. According to one embodiment of the present invention, the XRD testing device of the present invention is configured to perform the following steps to achieve XRD pattern batch processing:

[0060] (1) Background removal operation: Assume that the XRD data contains N data points ,in is the horizontal axis (wave vector) of the XRD data, is the vertical axis (intensity) of the XRD data. Divide the data into 30 equal parts, average each part of the data, and transform it into 30 anchor points ,in, is the horizontal coordinate of the i-th anchor point, is the ordinate of the i-th anchor point, where:

[0061]

[0062] in, for Integers in ,

[0063] On this basis, the anchor point is transformed into a background index point according to the following formula: , and its formula is expressed as:

[0064]

[0065] and,

[0066]

[0067] The data obtained by linear interpolation based on these background index points is used as the background signal for background signal subtraction of the XRD spectrum. In this way, the original XRD signal , converted into the signal after background removal .

[0068] (2) Peak search operation: According to one embodiment of the present invention, the signal criterion for defining the crystal peak is: There is a local maximum value in a continuous signal, and the difference between this local maximum value and the local average value is greater than the threshold , expressed as:

[0069]

[0070] in,

[0071]

[0072] , , The values ​​are all preset parameters, among which, is the value range of signal smoothing, To find the signal range of the local maximum, is the threshold value to be judged. According to the data conditions, you can choose the appropriate , , Take values ​​to achieve effective crystal peak marking.

[0073] According to one embodiment of the present invention, =5, W=50, and T=6σ, where σ is the standard deviation of the data for the noise portion of the signal.

[0074] (3) Peak shape fitting operation: Gaussian-Lorentzian fitting is used, and the formula is expressed as:

[0075]

[0076] in , , , , are fitting parameters, Related to the peak intensity, Related to the peak position, and Peak shape related

[0077] (4) Phase clustering analysis: Use the peak position information obtained by fitting to count the ratio of each peak position arrangement. According to the clustering algorithm, the spectra with similar arrangement ratios are classified into one category. Refer to the peak position ratios of common crystal structures such as BCC, FCC, HCP, etc., and match the clustered results.

[0078] (5) Data display: The processed data is plotted and associated with the components to generate a test report, in which the data results can be used to iterate the artificial intelligence model.

[0079] Compared with the prior art, the batch processing method designed by the scheme of the present invention has two advantages. First, this method can automatically perform the analysis steps of background removal, peak search, fitting, and phase analysis in sequence, eliminating the steps that commercial software needs to click manually in sequence, so a large amount of data can be processed quickly. Secondly, this method uses Gaussian-Lorentzian fitting in peak shape fitting, which is of great help to the structural analysis of amorphous materials, because the XRD diffraction peak of amorphous materials is a wider bun peak, which is very different from crystalline materials. The four parameters given by Gaussian-Lorentzian fitting can well capture the changes in details on the amorphous diffraction peak, thereby obtaining more quantifiable structural information. Commercial software does not have these functions.

[0080] In order to better understand the solution of the present invention, two specific examples are briefly described below.

[0081] Example 1: Continuously test 3 film samples

[0082] The automation system issues an instruction to test the XRD of three thin film samples. The test mode is the slightly incident mode, the scanning angle is 20-135 degrees, the scanning speed is 20 degrees per minute, and the scanning mode is the 19X19 array surface scan. The industrial robot receives the system instruction, and the robotic arm goes to the area where the thin film samples are placed, clamps the thin film samples and puts them into the thin film sample tray. The robot sends an instruction to the system, the XRD hatch switch releases the hatch control, and the pneumatic device outside the hatch pushes the hatch open. The robotic arm clamps the sample tray and transfers the tray and the thin film sample to the inside of the XRD instrument. According to the specified route, it is slowly sent to the top of the XRD internal fixture. Then the robotic arm descends vertically, embeds the tray into the XRD fixture, and the robotic arm slowly withdraws. The pneumatic device outside the hatch pushes the hatch to close, and the automatic placement is completed.

[0083] The industrial robot's visual recognition is turned on, and it recognizes that the hatch closing indicator light is on, and sends a test command to the automation system. The automation system sends a test command to the XRD test software, and the XRD system automatically starts the optical path correction and performs array scanning. After several hours of array scanning, the XRD system completes the test and the high-voltage indicator light goes out. The automation system recognizes that the test is complete, uploads the test data to the internal server through the local area network, and calls up the phase batch processing program to start data analysis. The program removes the background, finds peaks, and fits the peak shape of the XRD spectrum. Fig. 9As shown in the figure, it is the result of scanning the XRD spectrum array. Each square represents the test result of an area, where the green line is the XRD spectrum line and the red line is the annotation line of the automatic peak search. The system of the present invention will perform Gauss-Lorentz fitting on each diffraction peak to obtain the peak position and peak width. According to the peak position and peak width, the program performs cluster analysis on the alloy phase and obtains the phase classification of each component point as shown in the figure. Fig.10 As shown. Among them, BCC stands for body-centered cubic, HCP stands for hexagonal close-packed, MG stands for amorphous structure, BCC+HCP stands for both body-centered cubic and hexagonal close-packed, and unconfirmed stands for the program cannot be classified temporarily. Note: This classification result is based on the analysis of the test results, and the actual phase of the material may be affected by the texture, test method, etc., which is not within the scope of consideration of the present invention. The system generates a test report and stores it in the database, and the test is completed. The system automatically enters a new round of testing, and repeats the above steps to open the cabin door and replace the film sample.

[0084] Example 2: Continuously test 10 film samples

[0085] The automation system issues an instruction to test XRD of 10 block samples. The test mode is theta-theta mode, the scanning angle is 20-80 degrees, the scanning speed is 5 degrees per minute, and the scanning mode is single-point scanning. After receiving the system instruction, the industrial robot moves to the area where the block samples are placed, grabs the block samples and places them in the block sample tray. The robotic arm simulates a human hand and touches the XRD hatch switch to release the hatch control. The pneumatic device outside the hatch pushes the hatch open. The robotic arm clamps the sample tray and transfers the tray and the block sample to the inside of the XRD instrument. Following the specified route, it is slowly delivered to the top of the XRD internal fixture. The robotic arm then descends vertically, embeds the tray into the XRD fixture, and the robotic arm slowly withdraws. The pneumatic device outside the hatch pushes the hatch closed, and the automatic lofting is completed.

[0086] The industrial robot's visual recognition is turned on, and it recognizes that the hatch closing indicator light is on, and sends a test command to the automation system. The automation system sends a test command to the XRD test software, and the XRD system automatically turns on the optical path correction and performs a single scan. After 20 minutes of array scanning, the XRD system completes the test and the high-voltage indicator light goes out. The automation system recognizes that the test is complete, uploads the test data to the internal server through the local area network, and calls up the phase batch processing program to start data analysis. The program removes the background, finds peaks, and fits the peak shape of the XRD spectrum, such as Fig.11 As shown, it is the result of a single XRD scan. The system generates a test report and stores it in the database, and the test is completed.

[0087] Compared with the prior art, the advantages of the present invention are: the method of the present invention has strong universality and low cost, and can be used to fully automate the transformation of existing XRD equipment, and can also be used to build new intelligent laboratories; the overall method of the present invention is applicable to existing commercial XRD equipment, does not affect the structure and function of the original equipment, and does not rely on the communication interface service opened by the instrument manufacturer; the sample tray and fixture designed by the present invention can adapt to different types of samples, such as blocks, films, etc., eliminating the cumbersome sample loading and height correction process; the data batch processing method of the present invention can process the data collected by the instrument in real time, and perform phase classification, which speeds up the flow and processing efficiency of the data. Compared with the existing XRD processing software, the batch processing capability of this method is stronger, and it has good adaptability, and can automatically read the data generated by different XRD models; the automation solution provided by the present invention can feed back the test results to the artificial intelligence model without human intervention.

[0088] The embodiments of the present invention have been described above, and the above description is exemplary, not exhaustive, and is not limited to the disclosed embodiments. Many modifications and variations will be apparent to those of ordinary skill in the art without departing from the scope and spirit of the described embodiments. The selection of terms used herein is intended to best explain the principles of the embodiments, practical applications, or technical improvements in the market, or to enable other persons of ordinary skill in the art to understand the embodiments disclosed herein.

Claims

1. An XRD automatic testing system, characterized in that: The system comprises an XRD testing device and an industrial robot, wherein wireless communication is performed between the XRD testing device and the industrial robot, the XRD testing device is equipped with an automatic control cabin door, and the industrial robot is equipped with a mechanical arm, wherein: The industrial robot is configured to respond to multiple sample test instructions one by one and perform the following steps in response to each test instruction: Sampling the current sample to be tested; Sending a cabin opening signal to the XRD testing device to trigger the XRD testing device to open the cabin door; Place the current sample to be tested into the XRD testing device through its own mechanical arm and send a sample placement completion signal to it to trigger the XRD testing device to close the door; After recognizing that the XRD test device has closed its door, a test start instruction is sent to the XRD test device to trigger the XRD test to start; Among them, the industrial robot sends a test completion signal to the XRD test device after executing all test instructions; The XRD testing apparatus is configured as follows: Open the hatch door in response to the hatch opening signal; In response to the stakeout completion signal, the hatch door is closed; In response to a test start instruction, the sample is tested to obtain an XRD spectrum corresponding to the sample; In response to a test completion signal, a plurality of XRD patterns are batch processed to obtain a test report.

2. The system according to claim 1, characterized in that The automatically controlled cabin door is a double-opening door, wherein each door is provided with a cylinder, and the cylinders on the two doors are configured to be connected or disconnected by telescopic means under the control of a remote signal to realize the door opening and door closing actions, wherein, under the control of the cabin opening signal, the cylinders connected on the two doors are retracted to perform a disconnection operation to realize the door opening action, and under the control of the lofting completion signal, the cylinders connected on the two doors are extended to perform a connection operation to realize the door closing action.

3. The system according to claim 1, characterized in that The system is also configured with: The sample tray is a round tray used to place the sample to be tested so that the robot arm can grab it and put it into the XRD testing device.

4. The system according to claim 3, characterized in that The sample to be tested is in the form of a film or a block; The front of the sample tray is provided with a groove for loading the sample to be tested, the inner side of the groove is provided with a positioning notch for indicating the direction in which the sample to be tested is placed in the groove, and the edge of the tray is symmetrically provided with two open notches for the robot arm to clamp; A triangular protrusion is arranged on the back of the sample tray for positioning the sample tray.

5. The system according to claim 4, characterized in that The XRD testing device is provided with: The tray clamp is circular and used to fix the sample tray, and the front of the tray clamp is provided with a triangular groove coupled with the triangular protrusion on the back of the sample tray.

6. The system according to claim 5, characterized in that The sample tray is an acrylic plate; The tray fixture is a metal disc with threaded holes arranged around it and is fixed in the XRD testing device by bolts.

7. The system according to claim 1, characterized in that The XRD testing apparatus is configured to batch process a plurality of XRD patterns as follows: Performing background removal operation on multiple XRD spectrum data to obtain XRD signals after background removal; Perform peak searching in the XRD signal after background removal to obtain multiple peaks; Performing a fitting operation on the obtained peak shape to obtain peak position information; Use the peak position information obtained by fitting to perform phase clustering analysis; The phase clustering analysis results were associated with the components to obtain the analysis results.

8. The system according to claim 1, characterized in that The XRD testing device is configured to perform background removal on XRD image data in the following manner: Divide the XRD spectrum data into 30 equal parts, calculate the average value of the data of each equal part and use the average value as the anchor point of the part; Convert each anchor point to a background index point as follows : in, is the horizontal coordinate of the i-th anchor point, is the ordinate of the i-th anchor point, and A background signal is obtained by linear interpolation based on all background index points, and the background signal is subtracted from the XRD spectrum data based on the obtained background signal to obtain an XRD signal after background removal.

9. The system according to claim 8, characterized in that The XRD testing device is configured to perform a peak search operation on the XRD signal after background removal according to a preset crystal peak signal criterion, wherein the preset crystal peak signal criterion is: in, , , The values ​​are all preset parameters, among which, is the value range of signal smoothing, To find the signal range of the local maximum, is the threshold value to be determined.

10. The system according to claim 9, characterized in that y=5, W=50, and T=6σ, where σ is the standard deviation of the data for the noise portion of the signal.

11. The system according to claim 10, characterized in that The XRD testing device is configured to use the Gaussian-Lorentzian method to perform a fitting operation on the peak shape.

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