A method for accurately, rapidly, and highly-throughput evaluating the influence of heterogeneous phases on material properties

Abstract

The present invention belongs to the technical field of advanced material evaluation, and particularly relates to a method for accurately, rapidly and high-throughput evaluating the influence of heterogeneous phases on material properties. The method includes: selecting a three-dimensional imaging instrument to achieve three-dimensional non-destructive high-resolution whole-volume analysis of a sample; using three-dimensional reconstruction software to establish a three-dimensional digital model; using three-dimensional visualization and data analysis software to extract all heterogeneous phases; selecting representative three-dimensional complex irregular heterogeneous phases and respectively establishing independent files; establishing a sample geometric model with a specific three-dimensional appearance contour; placing the sample geometric model with the specific appearance contour and the three-dimensional complex irregular heterogeneous phases in the same three-dimensional coordinate system; precisely adjusting single or multiple characteristic parameters of the two in three directions. The present invention overcomes the drawbacks of idealization, one-sidedness, randomization and qualitative nature of existing technical means, and realizes the continuous change and micro-change adjustable control of single or multiple characteristic parameters of three-dimensional real complex irregular heterogeneous phases.

Description

Technical Field

[0001] The present invention belongs to the technical field of advanced material evaluation, and particularly relates to a method for accurately, rapidly and highly-throughput evaluating the influence of heterogeneous phases on material properties. Background Art

[0002] In materials science, especially in metals and composite materials, the strength of the actually prepared materials is about 1 / 10 of their ideal strength, and the service performance of the actual materials has a large dispersion. The underlying factor is that the materials contain various heterogeneous phases, such as: the most common pores, inclusions, cracks, precipitates, etc. The detection and control levels of heterogeneous phases are closely related to the sample properties. Generally speaking, the higher the detection and control levels are, the higher the sample properties and the qualification rate are. Establishing the relationship between heterogeneous phases and material properties is of great significance for the application of materials in the fields of aviation, aerospace, shipbuilding, precision bearings, etc.

[0003] The methods for studying the relationship between heterogeneous phases and material properties are mainly divided into experimental methods and computational methods. The number of heterogeneous phases in actual samples is often several thousand or more, and the parameters of these heterogeneous phases (such as: type, number, shape, volume, and spatial position) are random. Therefore, the results of experimental methods are random, have a large dispersion, poor consistency, and are time-consuming, laborious and costly. Computational methods, such as computer finite element simulation technology, can greatly improve the research efficiency. Finite element simulation is a mature technology. Generally, various commercial finite element software such as ABAQUS are used. First, multiple regular geometric models are combined, added, subtracted, etc. to obtain the target geometric model, and then the finite element software is used for mesh generation, boundary conditions are added, and physical quantities are set to achieve finite element simulation. However, although techniques for constructing finite element geometric models have been developed, such as constructing 2D regular geometric models, 2D irregular geometric models, 3D regular geometric models, etc., these techniques have disadvantages such as localization, one-sidedness, and idealization, which greatly affect the calculation accuracy and precision. In recent years, finite element geometric modeling techniques based on X-ray three-dimensional images have emerged. The main steps of X-ray three-dimensional imaging technology include: three-dimensional scanning of samples, three-dimensional reconstruction, binary segmentation, statistical analysis (such as: number, size, and volume fraction, etc.); the results of binary segmentation can be meshed to obtain a three-dimensional real geometric model, realizing finite element simulation of real complex microstructures, increasing the accuracy and reliability of the results. The disadvantages of this technology include limited three-dimensional spatial resolution, limited computing power, and only being able to achieve finite element simulation of small volumes, with limited results and low efficiency, and only being able to give qualitative laws.

[0004] In summary, the existing methods for studying the relationship between heterogeneous phases and material properties have disadvantages such as low efficiency, one-sidedness, randomization, approximate treatment, insufficient quantification, poor representativeness, and many interfering factors. There is an urgent need to develop a new method that can customize the continuous change of single or multiple characteristic parameters of heterogeneous phases in three-dimensional space as needed, achieve accurate, rapid, and high-throughput evaluation, and provide a new technical means for establishing the quantitative relationship between heterogeneous phases and material properties. Summary of the Invention

[0005] The technical problem solved by the present invention is to provide a method for accurately, rapidly, and high-throughput evaluating the influence of heterogeneous phases on material properties, and providing a new technical means for establishing the quantitative relationship between heterogeneous phases and material properties.

[0006] The technical solution of the present invention is as follows:

[0007] A method for accurately, rapidly, and high-throughput evaluating the influence of heterogeneous phases on material properties, comprising the following steps:

[0008] Step 1: According to the material composition, considering the penetrability of the sample and the spatial resolution of the heterogeneous phase, select a three-dimensional imaging instrument to achieve three-dimensional non-destructive high-resolution whole-volume analysis of the bulk sample;

[0009] Step 2: Use three-dimensional reconstruction software to remove artifacts in the sample and establish a three-dimensional digital model;

[0010] Step 3: Use three-dimensional visualization and data analysis software to extract all heterogeneous phases in the sample;

[0011] Step 4: Select the same type of heterogeneous phase. For this type of heterogeneous phase, select two or more heterogeneous phases with representative shapes and establish independent files respectively;

[0012] Step 5: Use three-dimensional visualization and data analysis software to establish a sample geometric model A with a specific three-dimensional appearance contour as needed;

[0013] Step 6: Based on the sample geometric model A with a specific three-dimensional appearance contour established in Step 5 and one of the heterogeneous phases B with a representative shape selected in Step 4, place the two in the same three-dimensional space coordinate system (x, y, z) so that the heterogeneous phase B and the sample geometric model A have determined three-dimensional coordinates in the same three-dimensional space coordinate system (x, y, z);

[0014] Step 7: Adjust the three-dimensional coordinates of the selected heterogeneous phase B in Step 6 so that it is in a specific three-dimensional space position in the sample geometric model A;

[0015] Step 8: With the relative three-dimensional spatial positions of the heterogeneous phase B and the sample geometric model A determined, adjust the voxel size of the heterogeneous phase B to achieve precise and rapid customization of the continuous change and minute change of the equivalent diameter of the heterogeneous phase B from the nanoscale to the millimeter scale while preserving all three-dimensional complex and irregular features of the heterogeneous phase B, and obtain a set of three-dimensional sample geometric models for heterogeneous phase B with different equivalent diameters;

[0016] Step 9: Repeat Steps 4 - 8. By adjusting at least one of the five parameters of the type, quantity, shape, volume, and three-dimensional spatial position of the heterogeneous phase respectively, achieve precise and rapid matching and customization of the type, quantity, shape, position, and volume of all heterogeneous phases with the three-dimensional appearance contour geometric model of the sample, and obtain a batch of three-dimensional sample geometric models C;

[0017] Step 10: Use the mesh generation technology to perform adaptive mesh generation on the three-dimensional sample geometric models C obtained in Step 9 respectively to obtain a batch of three-dimensional meshed samples D;

[0018] Step 11: Perform finite element simulations on the batch of three-dimensional meshed samples D obtained in Step 10 respectively to achieve precise and rapid evaluation of the influence of the heterogeneous phase on the material properties;

[0019] Step 12: Perform 3D printing on the batch of three-dimensional meshed samples D obtained in Step 10 to achieve the actual construction of a batch of model samples containing the information of the type, quantity, shape, position, and volume of the heterogeneous phase, and then conduct high-throughput physical property evaluation of the actual samples.

[0020] The three-dimensional imaging instrument in Step 1 includes industrial, micron, sub-micron or nano X-ray CT, X-ray microscope or synchrotron radiation imaging beamline station.

[0021] The three-dimensional reconstruction software in Step 2 includes the three-dimensional reconstruction software equipped with the instrument or various open-source three-dimensional reconstruction software.

[0022] The three-dimensional visualization and data analysis software in Step 3 includes various commercial three-dimensional visualization and data analysis software, or open-source three-dimensional visualization and data analysis software.

[0023] The heterogeneous phase in Step 4 refers to the heterogeneous phase that actually exists in the sample, which is related to the actual preparation process and has three-dimensional, complex, and irregular features, rather than being randomly generated by mathematical software.

[0024] The irregular features refer to having irregular features in all three directions of x, y, and z, and the spatial irregularity degrees in the three directions are different, including but not limited to flat flakes with different thickness fluctuations, rod shapes with different thicknesses, cone angles with different sharpness degrees, structures with different connectivity degrees, or structures with uneven concavities and convexities.

[0025] The sample geometric model A of the specific three-dimensional appearance contour in Step 5 is the appearance contour of the sample in Step 1, or various regular or irregular three-dimensional appearance contours that can be customized on demand with adjustable volume.

[0026] All three-dimensional complex irregular features of the retained heterogeneous phase B in Step 8 mean that all three-dimensional complex irregular geometric features remain unchanged; adjusting the voxel size of the heterogeneous phase B is neither an increase in some areas nor a decrease in some areas, but an overall proportional enlargement or reduction.

[0027] The precise and rapid matching customization in Step 9 means that any combination of the type, quantity, shape, volume, and three-dimensional spatial position of the heterogeneous phase is adjusted on demand, enabling continuous and minute adjustments of one or more than two characteristic parameters, so as to quickly find the precise quantitative law by unraveling the complexity step by step.

[0028] The adaptive mesh generation in Step 10 means that a coarse mesh is used in the matrix region without the heterogeneous phase, and in the heterogeneous phase region, a fine mesh is set to match the three-dimensional complex irregular requirements, thereby effectively reducing the overall number of meshes, decreasing the computational amount, eliminating or reducing the dependence on special computing resources, and improving the operation efficiency.

[0029] The design concept of the present invention is:

[0030] The present invention selects a three-dimensional imaging instrument to achieve three-dimensional non-destructive high-resolution whole-volume analysis of a sample; uses three-dimensional reconstruction software to establish a three-dimensional digital model; uses three-dimensional visualization and data analysis software to extract all heterogeneous phases; selects representative three-dimensional complex irregular heterogeneous phases and establishes independent files respectively; establishes a sample geometric model with a specific three-dimensional appearance contour; places the sample geometric model with a specific appearance contour and the three-dimensional complex irregular heterogeneous phases in the same three-dimensional coordinate system (x, y, z); precisely adjusts the relative three-dimensional spatial positions of the two in the three directions of (x, y, z); precisely controls the continuous change of the equivalent diameter of the three-dimensional complex irregular heterogeneous phases from hundreds of nanometers to dozens of millimeters as needed; obtains a group of three-dimensional sample geometric models; controls the type, shape, quantity, volume size, and three-dimensional spatial position of the heterogeneous phases to achieve continuous change and fine adjustment of single or multiple characteristic parameters, and obtains a batch of three-dimensional sample geometric models; performs adaptive three-dimensional mesh generation; uses finite element software to achieve batch simulation; uses 3D printing technology to achieve the construction of a batch of real samples and conducts high-throughput physical property evaluation of real samples. In actual materials, various characteristic parameters of heterogeneous phases affect each other, making it difficult to study the influence of the change of a single characteristic parameter, especially a small change, on the material properties. The present invention aims to provide an evaluation method to simplify the complex situation, eliminate the influence of other characteristic parameters, realize the study of the influence of a small change in a single characteristic parameter on the material properties, and then, on the basis of clarifying the role of a single characteristic parameter, study the influence of two or more characteristic parameters on the material properties.

[0031] The advantages and beneficial effects of the present invention are as follows:

[0032] 1. Aiming at the problem that it is difficult to quantitatively study the one-to-one relationship between structure and performance due to the coupling of multiple factors such as the quantity, shape, volume, and spatial position of heterogeneous phases in actual samples, the present invention develops a method for evaluating the influence of heterogeneous phases on material properties, which has small experimental volume, adjustable and controllable single or multiple characteristic parameters, precise one-to-one quantitative analysis of structure and performance, and can construct a large number of samples in a short time, providing a new quantitative technical means for the mechanical property evaluation and physical property evaluation such as service performance of various materials, especially metal materials. Compared with the existing technical means, on the one hand, the present invention breaks through the limitations of 2D, ideal, simple, and regular, and realizes the characteristics of 3D, real, complex, and irregular; on the other hand, it breaks through the limitations of spatial resolution, scanning volume, multi-heterogeneous-phase multi-factor interference, random distribution, and qualitative, and realizes the characteristics of continuous change across scales in three-dimensional space, large field of view, single heterogeneous-phase single characteristic parameter, precise customization, and quantification.

[0033] 2. To further illustrate the application value of the present invention, taking the influence of surface or subsurface microstructures, which are recognized in materials science, on material properties as an example. Although the surface or subsurface microstructures have a great influence on the physical properties of materials, there is only a qualitative description of the subsurface of materials, and there is no standard or definition for how far from the surface can be considered as the subsurface. By using the method of the present invention, taking advantage of the characteristics that a single characteristic parameter is adjustable and controllable and continuously varies across scales in three-dimensional space, a large number of samples can be quickly customized, and the quantitative relationship between the distance between three-dimensional complex irregular heterogeneous phases and the surface and material properties can be accurately studied.

[0034] 3. The heterogeneous phases targeted by the present invention actually exist in materials and are associated with actual preparation processes, rather than being randomly generated by software. If the type, quantity, shape, and three-dimensional spatial position of the heterogeneous phases are kept unchanged, and only the volume or the equivalent diameter of a single heterogeneous phase is adjusted, the interference of multiple factors can be excluded, and the influence of the three-dimensional size change of a single heterogeneous phase on material properties can be accurately studied to obtain quantitative results. Existing technical means can only give qualitative results. Usually, descriptions such as the sizes are about the same, but how much difference there is is not clear, and whether the smaller part has an impact is not clear; the shapes are similar, but how similar they are is not clear, and whether the dissimilar parts have an impact is not clear. All such descriptions can only give a general qualitative rule. The present invention can accurately give the influence of a small change in a single characteristic parameter on material properties and give a quantitative rule, enabling researchers to clearly understand whether a small change in a single characteristic parameter will significantly change material properties. On the basis of accurately understanding the role of a single characteristic parameter, the present invention can further couple two or even more characteristic parameters, quickly construct a batch of model samples with high throughput in a short time, study the influence on material properties brought by coupling two or even more characteristic parameters, find the coupling influence rule, and thus quickly improve the material design idea or preparation process to obtain materials or devices with higher performance. BRIEF DESCRIPTION OF THE DRAWINGS

[0035] Figure 1 It is a three-dimensional distribution diagram of holes in a certain sample of superalloy.

[0036] Figure 2 It is a typical hole diagram extracted from superalloy.

[0037] Figure 3 It is a schematic diagram for constructing a high-throughput model sample of superalloy by changing the hole volume.

[0038] Figure 4 It is a schematic diagram of a local area of the adaptive mesh structure of the finite element geometric model containing holes.

[0039] Figure 5 It is a typical inclusion diagram extracted from steel.

[0040] Figure 6Schematic diagram for constructing a high-throughput model sample of steel to change the inclusion volume. Specific implementation mode

[0041] In the specific implementation process, a method for accurately and rapidly evaluating the influence of heterogeneous phases on material properties by high throughput includes the following steps:

[0042] Step 1: According to the material composition, considering the penetrability of the sample and the spatial resolution of the heterogeneous phase, select a three-dimensional imaging instrument to achieve three-dimensional non-destructive high-resolution whole-volume analysis of the sample. The sample can be a bulk sample with a cuboid, cylindrical, plate-like or irregular shape. The three-dimensional imaging instruments include industrial, micron, sub-micron or nano X-ray CT, X-ray microscope, synchrotron radiation imaging beamline, etc.; the whole volume means that the entire sample area from the surface to the inside is within the scanning range. For example, if the characteristic size of the representative heterogeneous phase is on the order of hundreds of nanometers, the three-dimensional imaging instrument can be selected as nano-CT or synchrotron radiation imaging beamline; if the characteristic size of the representative heterogeneous phase is on the order of a few microns, the three-dimensional imaging instrument can be selected as sub-micron CT or synchrotron radiation imaging beamline; if the characteristic size of the representative heterogeneous phase is on the order of dozens of microns, the three-dimensional imaging instrument can be selected as micron CT or synchrotron radiation imaging beamline; if the characteristic size of the representative heterogeneous phase is on the order of hundreds of microns or even larger, the three-dimensional imaging instrument can be selected as industrial CT. When actually selecting a three-dimensional imaging instrument, the requirement of penetrability for the ray energy also needs to be considered. For example, a three-dimensional imaging instrument with an accelerating voltage of 50 kV can be selected for a 6 mm aluminum alloy sample; a three-dimensional imaging instrument with an accelerating voltage of 100 kV can be selected for a 6 mm titanium alloy sample; a three-dimensional imaging instrument with an accelerating voltage of 200 kV can be selected for a 6 mm superalloy sample.

[0043] Step 2: Use three-dimensional reconstruction software to remove the artifacts in the sample and establish a three-dimensional digital model. The three-dimensional reconstruction software includes the three-dimensional reconstruction software equipped with the instrument and various open-source three-dimensional reconstruction software. These software can be ASTRA, TIGRE and TomoPy based on Python or Matlab. The actually used three-dimensional reconstruction software is not limited to the software exemplified here, as long as it can achieve three-dimensional mathematical reconstruction, it can be used to establish a three-dimensional digital model.

[0044] Step 3: Use three-dimensional visualization and data analysis software to extract all heterogeneous phases in the sample.

[0045] The 3D visualization and data analysis software in Step 3 includes various commercial software and open-source software. These software can be Avizo, Amira, ORS, Drangonfly, VGStudio, Fiji, Simpleware. The actually used 3D visualization and data analysis software is not limited to the software exemplified here. As long as the software can achieve 3D visualization and data analysis, it can be used to extract heterogeneous phases. The heterogeneous phases in the present invention all refer to heterogeneous phases with three-dimensional, real, complex, and irregular characteristics. For example, if the heterogeneous phases in the sample include three types: pores, inclusions, and precipitates, they are extracted one by one. For example: first extract all the pores, then extract all the inclusions, and then extract all the precipitates. The extraction order is not limited.

[0046] The extraction method is not limited and can be extraction by threshold method, multi-threshold method, watershed segmentation method, deep learning method.

[0047] Step 4: Select the same type of heterogeneous phase. For this type of heterogeneous phase, select multiple heterogeneous phases with representative shapes and establish independent files respectively. The heterogeneous phase with a representative shape refers to a heterogeneous phase with a relatively large degree of three-dimensional irregularity. These heterogeneous phase shapes actually exist in the sample and are associated with the actual preparation process, rather than randomly generated using mathematical software. The irregular characteristics refer to having irregular characteristics in all three directions of x, y, and z, and the spatial irregularity degrees in the three directions are different. The types of irregular characteristics include but are not limited to flat sheet-like with different thickness fluctuations, rod-like with different thicknesses, cone-angle-like with different sharpness degrees, structures with different connectivity degrees, and structures with uneven concavity and convexity. If the heterogeneous phase only has irregular characteristics in a two-dimensional plane such as the X-Y plane and in the third direction such as the Z direction, the three-dimensional structure can be achieved by continuously repeating or stretching the X-Y two-dimensional plane, then this heterogeneous phase is not within the scope of discussion of the present invention.

[0048] Step 5: Use the 3D visualization and data analysis software to establish a sample geometric model A with a specific three-dimensional appearance contour as needed. The sample geometric model with a specific three-dimensional appearance contour includes but is not limited to the appearance contour of the sample scanned in Step 1 and can be various regular and irregular three-dimensional appearance contours customized as needed. The volume of this three-dimensional appearance contour sample geometric model can also be set as needed.

[0049] Step 6: Based on the sample geometric model A with a specific appearance contour established in Step 5 and one of the heterogeneous phases B with a representative shape selected in Step 4, place the two in the same three-dimensional space coordinate system (x, y, z) so that the heterogeneous phase B and the sample geometric model A have determined three-dimensional coordinates in the same three-dimensional space coordinate system (x, y, z).

[0050] Step 7: Adjust the three-dimensional coordinates of the selected second-phase B in Step 6 so that it is in a specific three-dimensional spatial position in the sample geometric model A. For example, to adjust the three-dimensional coordinates of the second-phase B, the second-phase B can be first translated along the X-axis, then along the Y-axis, and then along the Z-axis. The translation order of the X-axis, Y-axis, and Z-axis is not limited. After translation along the three axes, the second-phase B can reach the target three-dimensional spatial position, so that the second-phase B is in a specific three-dimensional spatial position in the sample geometric model A.

[0051] Step 8: With the relative three-dimensional spatial position of the second-phase B and the sample geometric model A determined, adjust the voxel size of the second-phase B to achieve precise and rapid customization of the continuous change of the equivalent diameter of the second-phase B from hundreds of nanometers to millimeters while retaining all three-dimensional complex and irregular features of the second-phase. A set of three-dimensional sample geometric models are obtained for the second-phase B with different equivalent diameters. Retaining all three-dimensional complex and irregular features means that all three-dimensional complex and irregular geometric features remain unchanged; adjusting the voxel size of the second-phase B is neither to make some regions of the second-phase B larger nor to make some regions smaller, but to enlarge or reduce the second-phase B as a whole in equal proportion. The continuous change of the equivalent diameter from hundreds of nanometers to millimeters means that the equivalent diameter is not limited by the scanning resolution and the scanning volume and can be customized as needed within the range of hundreds of nanometers to dozens of millimeters.

[0052] For example, if the initial voxel size of the second-phase B is 6 μm × 6 μm × 6 μm, adjusting the voxel size of the second-phase B to 0.6 μm × 0.6 μm × 0.6 μm can reduce its volume by 1000 times and its equivalent diameter by 10 times; adjusting the voxel size of the second-phase B to 12 μm × 12 μm × 12 μm can increase its volume to 8 times and its equivalent diameter to 2 times; adjusting the voxel size of the second-phase B to 6.1 μm × 6.1 μm × 6.1 μm can increase its volume to 1.051 times and its equivalent diameter to 1.017 times. Here, the type, quantity, shape, and three-dimensional spatial position of the second-phase B are all determined and unchanged. Only the volume or the equivalent diameter of the second-phase B is adjusted, and the influence of the three-dimensional size change of the second-phase on the material properties can be accurately studied to obtain quantitative results. The existing technical means can only give qualitative results. Usually, descriptions such as "the sizes are about the same, but how much difference, not clear; whether there is an impact on the smaller part of the size, not clear; the shapes are similar, but how similar, and whether there is an impact on the dissimilar parts, not clear" can only give a general qualitative rule. The present invention can accurately give the influence of the continuous change of a single or multiple characteristic parameters on the material properties, give a quantitative rule, so that the researcher can clearly understand whether the slight change of a single or multiple characteristic parameters will significantly change the material properties, thereby improving the material design idea or the preparation process and obtaining materials or devices with higher performance.

[0053] Step 9: Repeat Steps 4 - 8. By adjusting at least one of the five parameters of the type, quantity, shape, volume, and three - dimensional spatial position of the heterogeneous phases respectively, precise and rapid matching customization of the type, shape, position, size, and quantity of all heterogeneous phases with the geometric model of the three - dimensional appearance contour of the sample can be achieved, and a batch of three - dimensional sample geometric models C are obtained. Precise and rapid matching customization means that for any combination of the five parameters of the type, quantity, shape, volume, and three - dimensional spatial position of the heterogeneous phases, the present invention can precisely and rapidly obtain a batch of three - dimensional sample geometric models, thereby unraveling the quantitative laws in any situation.

[0054] Step 10: Using the mesh generation technology, perform adaptive mesh generation on the batch of three - dimensional sample geometric models C obtained in Step 9 to obtain the corresponding batch of three - dimensional meshed samples D. Adaptive mesh generation means that a coarse mesh is used in the matrix region without heterogeneous phases, and in the heterogeneous phase region, according to the requirements of three - dimensional complexity and irregularity, a fine mesh that matches it is set. For example, in the cone - angle region, the sharper it is, the finer the mesh. By using adaptive mesh generation, the overall number of meshes can be effectively reduced, the computational amount can be decreased, the dependence on special computing resources can be eliminated or reduced, and the operation efficiency can be improved.

[0055] Step 11: Perform finite element simulation on the batch of three-dimensional mesh samples D in step 10 to achieve accurate and rapid evaluation of the influence of heterogeneous phases on material properties. For example, the mesh file can be output in a format that can be imported by finite element software such as ANSYS and ABAQUS, and then, in the finite element professional software, the boundary conditions are set, the required material physical quantities are input, and the finite element simulation of the three-dimensional mesh sample D is performed. For example, assuming that the type, shape, quantity and volume size of the heterogeneous phase are determined, the three-dimensional spatial position of the heterogeneous phase B in the sample geometric model A is adjusted, and the three-dimensional spatial position control with submicron, micron, tens of microns, hundreds of microns, millimeters and centimeters precision is achieved in the x, y, and z directions, and the on-demand position control with precise control is achieved. Combined with finite element simulation processing, the influence of the three-dimensional spatial position of the heterogeneous phase on material properties can be accurately studied, and quantitative laws are given. For another example, assuming that the type, quantity, spatial position and volume size of the heterogeneous phase are determined, and only the three-dimensional shape of the heterogeneous phase is changed, the influence of the three-dimensional shape of the heterogeneous phase on the material properties can be studied. For example, for a perfect three-dimensional sphere, using existing technical means, its influence on material properties can be known. If it is a spheroid, it has expanded or collapsed locally in the three-dimensional space, and irregular protrusions or depressions appear locally. Using existing technical means, due to the influence of a large number of other characteristic parameters and specific factors, it is impossible to give a single influence law of these shape changes on material properties. However, using the scheme of the present invention, the specific influence of these shape changes on material properties can be clearly understood. For another example, assuming that the number, shape, spatial position and volume size of the heterogeneous phase are determined, the influence of the type of the heterogeneous phase on the material properties can be studied. Assuming that the type, shape and volume size of the heterogeneous phase are determined, two or more heterogeneous phases are added at different three-dimensional spatial positions of the sample geometric model A, and the influence of the number of heterogeneous phases and the three-dimensional spatial position coupling on material properties can be studied. Under various assumptions, we can study the quantitative law of the effect of continuous changes in a single characteristic parameter of a heterogeneous phase on material properties. On this basis, we can further study the quantitative law of the effect of two characteristic parameters or multiple parameter coupling on material properties. By regulating various characteristic parameters of the heterogeneous phase, we can find the quantitative law of the effect of small changes in characteristic parameters on material properties.

[0056] Step 12: 3D printing the batch of three-dimensional mesh samples D in step 10 can achieve high-throughput real construction of batch model samples containing heterogeneous phase type, quantity, shape, volume and three-dimensional spatial position information, and then conduct high-throughput real sample physical property evaluation through actual physical property testing.

[0057] It should be particularly pointed out that the heterogeneous phases in the present invention refer to heterogeneous phases with three-dimensional, real, complex and irregular characteristics.

[0058] The following are the preferred embodiments of the present invention. It should be understood that the preferred embodiments described herein are only the preferred solutions of the present invention, which can be used to explain the present invention but not to limit the present invention:

[0059] Embodiment 1:

[0060] In this embodiment, the nickel-based superalloy DD413 was selected, and bulk samples were prepared by wire cutting. The representative heterogeneous phase was pores. The steps are as follows:

[0061] Step 1: Considering the penetrability of the sample and the spatial resolution of the pores, a sub-micron X-ray three-dimensional imaging instrument was selected to achieve three-dimensional non-destructive high-resolution (pixel size of 1 micron) whole-volume analysis of the sample.

[0062] Step 2: Using three-dimensional reconstruction software, the ray hardening artifacts and stray noise artifacts in the sample were removed to establish a three-dimensional digital model.

[0063] Step 3: Using three-dimensional visualization and data analysis software (such as Avizo), all the pores in the sample were extracted. As Figure 1 shown, there are thousands of pores in this sample area; factors such as the number, volume, shape, and three-dimensional spatial position of the pores affect each other, making it difficult to distinguish the influence of a certain factor.

[0064] Step 4: According to the shape of the pores, several relatively irregular pores were selected and independent files were established respectively. As Figure 2 shown, three irregular pores are taken as examples here.

[0065] Step 5: Using three-dimensional visualization and data analysis software (such as Avizo), a sample geometric model A with a cylindrical outer contour was established.

[0066] Step 6: Select the sample geometric model A with a cylindrical outer contour established in Step 5 and one of the representative pores in Step 4 Figure 2 (c), and place the two in the same three-dimensional coordinate system (x, y, z) so that the pore Figure 2 (c) and the sample geometric model A have definite three-dimensional coordinates in the same three-dimensional space coordinate system (x, y, z) respectively.

[0067] Step 7: Adjust the three-dimensional coordinates of the selected pore Figure 2 (c) in Step 6 so that it is in a specific three-dimensional spatial position in the sample geometric model A.

[0068] Step 8: With the relative three-dimensional spatial position of the pore Figure 2 (c) and the sample geometric model A determined, adjust the voxel size of the pore Figure 2 (c), while retaining the pore Figure 2On the premise of all three-dimensional complex irregular features of (c), holes are realized Figure 2 Precise and rapid customization of the continuous change of the equivalent diameter of (c) from the nanometer scale to the millimeter scale, and a set of three-dimensional sample geometric models B are obtained for holes with different equivalent diameters, such as Figure 3 shown.

[0069] Step 9: Using the mesh generation technology, perform adaptive mesh generation on a set of three-dimensional sample geometric models B obtained in Step 8 to obtain a set of three-dimensional mesh samples C, Figure 4 shows a schematic diagram of a local area of the adaptive mesh structure of the finite element geometric model containing holes.

[0070] Step 10: Perform finite element simulation on a set of three-dimensional mesh samples C in Step 9 to achieve precise and rapid evaluation of holes of different sizes Figure 2 on the performance of nickel-based superalloy samples.

[0071] Step 11: 3D print a set of three-dimensional mesh samples C in Step 9, which can realize the real construction of the model samples containing the model, and then perform high-throughput physical property evaluation of real samples.

[0072] Repeat Steps 6-10. When the three-dimensional spatial position of a single hole is determined, select holes of different shapes, for example: as Figure 2 (a) and 2(b) show, keeping the hole volume unchanged, the influence of the change in hole shape on the performance of nickel-based superalloy samples can be studied.

[0073] Repeat Steps 6-9, 11. When the three-dimensional spatial position of a single hole is determined, select holes of different shapes and keep the hole volume unchanged, which can realize the real construction of the model samples with the change in hole shape, and then evaluate the influence of the change in hole shape on the physical properties of real nickel-based superalloy samples through actual physical property tests.

[0074] Example 2:

[0075] In this example, a certain carbon steel (No. 45 steel) is selected, and its typical heterogeneous phase is inclusion. The steps are as follows:

[0076] Step 1: Considering the penetrability of the sample and the spatial resolution of the inclusion, select a micro X-ray three-dimensional imaging instrument to achieve three-dimensional non-destructive high-resolution full-volume analysis of the alloy steel sample.

[0077] Step 2: Using three-dimensional reconstruction software, remove the ray hardening artifact and noise artifact in the sample and establish a three-dimensional digital model.

[0078] Step 3: Using three-dimensional visualization and data analysis software (such as: Fiji), extract all inclusions in the sample.

[0079] Step 4: According to the shape of the inclusions, select representative inclusions. For example, Figure 5 as shown, here three irregular inclusions are taken as examples, and independent files are established respectively.

[0080] Step 5: Use 3D visualization and data analysis software (such as: Fiji) to establish a sample geometric model A with a flat plate-shaped outer contour.

[0081] Step 6: Select the sample geometric model A with a flat plate-shaped outer contour established in Step 5 and one of the inclusions in Step 4 (here select the inclusion as shown in Figure 5 (b)). Place the two in the same three-dimensional coordinate system (x, y, z) so that the inclusion and the sample geometric model A have definite three-dimensional coordinates in the same three-dimensional space coordinate system (x, y, z) respectively.

[0082] Step 7: Adjust the three-dimensional coordinates of the selected inclusion in Step 6 (as shown in Figure 5 (b)) so that it is in multiple specific three-dimensional spatial positions in the sample geometric model A. On the premise that the shape and volume remain unchanged, achieve precise and rapid customization of its three-dimensional spatial position, and obtain a set of three-dimensional sample geometric models B for inclusions with different three-dimensional spatial positions, as shown in Figure 6 shown.

[0083] Step 8: Use the mesh generation technology to perform adaptive mesh generation on the set of three-dimensional sample geometric models B obtained in Step 7 to obtain a set of three-dimensional mesh samples C.

[0084] Step 9: Perform finite element simulation on the set of three-dimensional mesh samples C in Step 8 to achieve precise and rapid evaluation of the influence of the change in the three-dimensional spatial position of the inclusions on the properties of the alloy steel.

[0085] Step 10: Perform 3D printing on the set of three-dimensional mesh samples C in Step 8, which can realize the real construction of the model sample, and further conduct high-throughput physical property evaluation of the real sample.

[0086] Repeat Steps 6 - 9. When the volume of a single inclusion is determined, select inclusions with different shapes. For example, the inclusion as shown in Figure 5 (a) can be selected, or the inclusion as shown in Figure 5 (c). Fix the three-dimensional spatial position of the inclusion in the sample geometric model A to study the influence of the change in the inclusion shape on the properties of the alloy steel sample.

[0087] Repeat steps 6 - 8, 10. When the volume of a single inclusion is determined, select inclusions of different shapes and fix the three - dimensional spatial positions of the inclusions, and the true construction of model samples with changed inclusion shapes can be realized. Furthermore, through actual physical property tests, the evaluation of the influence of the changed inclusion shapes on the physical properties of real alloy steel samples can be carried out.

[0088] The results of the examples show that the present invention overcomes the drawbacks of idealization, one - sidedness, randomization and qualitative nature of the existing technical means, innovatively realizes the continuous and minute change - adjustable and controllable of one or more characteristic parameters of three - dimensional real complex irregular heterogeneous phases, as well as the high - throughput construction of batch samples, providing an accurate, rapid and high - throughput technical evaluation means for establishing the quantitative relationship between the heterogeneous phases and material properties of various advanced materials.

Claims

1. A method for precisely, rapidly and highly-throughput evaluating the influence of heterogeneous phases on material properties, characterized in that, It includes the following steps: Step 1: According to the material composition, considering the penetrability of the sample and the spatial resolution of the heterogeneous phase, select a three-dimensional imaging instrument to achieve three-dimensional non-destructive high-resolution whole-volume analysis of the bulk sample; Step 2: Use three-dimensional reconstruction software to remove artifacts in the sample and establish a three-dimensional digital model; Step 3: Use three-dimensional visualization and data analysis software to extract all heterogeneous phases in the sample; Step 4: Select the same type of heterogeneous phase. For this type of heterogeneous phase, select more than two heterogeneous phases with representative shapes and establish independent files respectively; Step 5: Use three-dimensional visualization and data analysis software to establish a sample geometric model A with a specific three-dimensional appearance contour as needed; Step 6: Based on the sample geometric model A with a specific three-dimensional appearance contour established in Step 5 and one of the heterogeneous phases B with a representative shape selected in Step 4, place the two in the same three-dimensional space coordinate system (x, y, z) so that the heterogeneous phase B and the sample geometric model A have determined three-dimensional coordinates in the same three-dimensional space coordinate system (x, y, z); Step 7: Adjust the three-dimensional coordinates of the selected heterogeneous phase B in Step 6 so that it is in a specific three-dimensional space position in the sample geometric model A; Step 8: With the relative three-dimensional space position of the heterogeneous phase B and the sample geometric model A determined, adjust the voxel size of the heterogeneous phase B to achieve precise and rapid customization of the continuous change and minute change of the equivalent diameter of the heterogeneous phase B from the nanometer level to the millimeter level while retaining all three-dimensional complex irregular features of the heterogeneous phase B, and obtain a group of three-dimensional sample geometric models for heterogeneous phases B with different equivalent diameters; Step 9: Repeat Steps 4 - 8. By adjusting at least one of the five parameters of the type, quantity, shape, volume, and three-dimensional space position of the heterogeneous phase respectively, achieve precise and rapid matching customization of the type, quantity, shape, volume, and three-dimensional space position of all heterogeneous phases with the geometric model of the sample three-dimensional appearance contour, and obtain a batch of three-dimensional sample geometric models C; Step 10: Use mesh generation technology to perform adaptive mesh generation on the three-dimensional sample geometric models C obtained in Step 9 respectively to obtain a batch of three-dimensional meshed samples D; Step 11: Perform finite element simulations on the batch of three-dimensional meshed samples D obtained in Step 10 respectively to achieve precise and rapid evaluation of the influence of heterogeneous phases on the material properties; Step 12: Perform 3D printing on the batch of three-dimensional meshed samples D obtained in Step 10 to achieve the real construction of a batch of model samples containing information on the type, quantity, shape, position, and volume of the heterogeneous phase, and then conduct high-throughput physical property evaluation of real samples; 2. The method according to claim 1, wherein The three-dimensional imaging instrument in Step 1 includes industrial, micron, sub-micron or nano X-ray CT, X-ray microscope or synchrotron radiation imaging beamline station.

3. The method according to claim 1, characterized in that, The three-dimensional reconstruction software in Step 2 includes the three-dimensional reconstruction software equipped with the instrument or various open-source three-dimensional reconstruction software.

4. The method according to claim 1, wherein The three-dimensional visualization and data analysis software in Step 3 includes various commercial three-dimensional visualization and data analysis software, or open-source three-dimensional visualization and data analysis software.

5. The method according to claim 1, wherein The heterogeneous phase in Step 4 refers to the one that actually exists in the sample associated with the actual preparation process, rather than being randomly generated by mathematical software, and has three-dimensional, complex, and irregular characteristics.

6. The method according to claim 5, wherein The irregular characteristics mean having irregular characteristics in all three directions of x, y, and z, and the spatial irregularity degrees in the three directions are different, including but not limited to flat flakes with different thickness fluctuations, rod shapes with different thicknesses, cone angles with different sharpness degrees, structures with different connectivity degrees, or structures with uneven concavities and convexities.

7. The method according to claim 1, wherein The sample geometric model A with a specific three-dimensional appearance contour in Step 5 is the appearance contour of the sample in Step 1, or various regular or irregular three-dimensional appearance contours that can be customized on demand with adjustable volume.

8. The method according to claim 1, characterized in that, Retaining all three-dimensional complex irregular characteristics of the heterogeneous phase B in Step 8 means that all three-dimensional complex irregular geometric characteristics remain unchanged; Adjusting the voxel size of the heterogeneous phase B is neither to enlarge some regions nor to shrink some regions, but to enlarge or shrink proportionally as a whole.

9. The method according to claim 1, wherein The precise and rapid matching customization in Step 9 means that any combination of the type, quantity, shape, volume, and three-dimensional spatial position of the heterogeneous phase can be adjusted on demand, realizing continuous changes and tiny changes that can be adjusted and controlled for single or two or more characteristic parameters, so as to quickly find the precise quantitative law by peeling the cocoon layer by layer.

10. The method according to claim 1, characterized in that The adaptive mesh generation in Step 10 means using a coarse mesh in the matrix region without heterogeneous phases, and in the heterogeneous phase region, setting a fine mesh that matches the three-dimensional complex irregular requirements, thereby effectively reducing the overall number of meshes, reducing the computational amount, eliminating or reducing the dependence on special computing resources, and improving the operation efficiency.

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