CN114858324A - Method and system for detecting residual stress of silicon carbide crystal - Google Patents
Method and system for detecting residual stress of silicon carbide crystal Download PDFInfo
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- CN114858324A CN114858324A CN202210793775.3A CN202210793775A CN114858324A CN 114858324 A CN114858324 A CN 114858324A CN 202210793775 A CN202210793775 A CN 202210793775A CN 114858324 A CN114858324 A CN 114858324A
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- 239000013078 crystal Substances 0.000 title claims abstract description 60
- 238000000034 method Methods 0.000 title claims abstract description 37
- HBMJWWWQQXIZIP-UHFFFAOYSA-N silicon carbide Chemical compound [Si+]#[C-] HBMJWWWQQXIZIP-UHFFFAOYSA-N 0.000 title claims abstract description 20
- 229910010271 silicon carbide Inorganic materials 0.000 title claims abstract description 20
- 238000004364 calculation method Methods 0.000 claims abstract description 22
- 239000000463 material Substances 0.000 claims abstract description 18
- 238000012545 processing Methods 0.000 claims description 11
- 238000002474 experimental method Methods 0.000 claims description 7
- 238000012937 correction Methods 0.000 claims description 4
- 238000003775 Density Functional Theory Methods 0.000 claims description 3
- 238000004590 computer program Methods 0.000 claims 2
- 238000013507 mapping Methods 0.000 claims 2
- 102100021164 Vasodilator-stimulated phosphoprotein Human genes 0.000 claims 1
- 238000001514 detection method Methods 0.000 abstract description 8
- 238000002441 X-ray diffraction Methods 0.000 description 6
- 238000005516 engineering process Methods 0.000 description 4
- 230000007547 defect Effects 0.000 description 2
- 238000012360 testing method Methods 0.000 description 2
- 230000005483 Hooke's law Effects 0.000 description 1
- 241000784732 Lycaena phlaeas Species 0.000 description 1
- 238000004458 analytical method Methods 0.000 description 1
- 230000009286 beneficial effect Effects 0.000 description 1
- 238000005259 measurement Methods 0.000 description 1
- 238000009659 non-destructive testing Methods 0.000 description 1
- 230000003287 optical effect Effects 0.000 description 1
- 230000000149 penetrating effect Effects 0.000 description 1
- 238000004088 simulation Methods 0.000 description 1
- 238000006467 substitution reaction Methods 0.000 description 1
- 239000002344 surface layer Substances 0.000 description 1
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- G—PHYSICS
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- G01L—MEASURING FORCE, STRESS, TORQUE, WORK, MECHANICAL POWER, MECHANICAL EFFICIENCY, OR FLUID PRESSURE
- G01L1/00—Measuring force or stress, in general
- G01L1/25—Measuring force or stress, in general using wave or particle radiation, e.g. X-rays, microwaves, neutrons
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- G—PHYSICS
- G01—MEASURING; TESTING
- G01L—MEASURING FORCE, STRESS, TORQUE, WORK, MECHANICAL POWER, MECHANICAL EFFICIENCY, OR FLUID PRESSURE
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- G01L5/0047—Apparatus for, or methods of, measuring force, work, mechanical power, or torque, specially adapted for specific purposes measuring forces due to residual stresses
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Abstract
A method and a system for detecting residual stress of a silicon carbide crystal relate to the technical field of stress detection of the silicon carbide crystal, and comprise the following steps: calculating the corresponding relation of lattice constants of crystals under different stresses to form a stress-lattice constant comparison table; obtaining an angle theta, measuring the angle theta through a rocking curve, measuring a diffraction angle of a corresponding crystal face, and taking a peak value of the diffraction angle as the angle theta; calculating a second lattice constant according to the interplanar spacing calculation formula and by using the angle theta; and obtaining a corresponding residual stress value by using the second lattice constant according to the stress-lattice constant comparison table. The residual stress detection method provided by the patent does not depend on any experimental parameters of the crystal material in principle, and does not need to know the mechanical properties of the material in advance.
Description
Technical Field
The invention relates to a method and a system for detecting residual stress of a silicon carbide crystal.
Background
The X-ray diffraction (XRD) method is one of experimental stress analysis methods, measures the strain of the crystal material caused by the change of lattice spacing by using the principle that the X-ray is diffracted when penetrating through the crystal lattice of the crystal material, thereby calculating the stress, and is a nondestructive testing method for the surface stress or residual stress of the crystal material. At present, the method for measuring the residual stress by using XRD is mainly to measure the strain of the surface layer of the material caused by the change of the lattice spacing so as to calculate the stress. The existing scheme is based on the classical elastic mechanics theory, the relation between the strain of an isotropic material in any direction and the stress in the direction is established, the change of diffraction angles under different test angles is measured, test data are fitted to obtain the residual strain in the direction, and the residual stress is obtained by calculating the residual strain through Hooke's law.
The main defects are as follows:
(1) the method for detecting the residual stress by the X-ray diffraction technology is characterized in that the actually measured physical quantity is the strain, and the residual stress can be calculated based on the classical elastomechanics theory, so that the method is limited to measuring only pure elastic strain in principle and cannot measure inelastic strain.
(2) In the method for detecting the residual stress by using the X-ray diffraction technology, when the strain is converted into the residual stress, the mechanical properties such as the elastic modulus, the Poisson's ratio and the like of the material need to be known in advance, and when the mechanical properties of the material to be detected cannot be known or errors exist in the measured mechanical properties, the method cannot be used, or errors can be brought to the detection of the residual stress.
(3) The method for detecting the residual stress by the X-ray diffraction technology needs to change psi, and multiple X-ray experiments are carried out to determine the diffraction angle, so that the time and the complexity are wasted, the method for calculating the residual stress is more complicated, and the data of the residual stress cannot be immediately obtained according to the experimental result;
(4) in the method for detecting the residual stress by using the X-ray diffraction technology, the relation (2) of the stress and the strain is only suitable for the material with isotropic mechanical properties, and the anisotropic residual stress cannot be obtained.
Disclosure of Invention
Aiming at the defects in the prior art, the invention provides a new idea for solving the problem of residual stress detection of the silicon carbide crystal.
In order to solve the technical problem, the invention is solved by the following technical scheme:
a method for detecting residual stress of a silicon carbide crystal comprises the following steps:
calculating the corresponding relation of lattice constants of crystals under different stresses to form a stress-lattice constant comparison table;
obtaining an angle theta, measuring the angle theta through a rocking curve, measuring a diffraction angle of a corresponding crystal face, and taking a peak value of the diffraction angle as the angle theta;
calculating a second lattice constant according to the interplanar spacing calculation formula and by using the angle theta;
and obtaining a corresponding residual stress value by using the second lattice constant according to the stress-lattice constant comparison table.
Preferably, the method for calculating the second lattice constant at the angle θ according to the interplanar spacing calculation formula comprises the following steps: the lattice constant calculation formula obtained by calculation according to the lattice spacing calculation formula and the Bragg law is as follows:
calculating an angle theta through a rocking curve, and calculating the second lattice constant by formulas (1) and (2), wherein lambda is the wavelength of the light source, a is the lattice constant of the a axis, and c is the lattice constant of the c axis.
Wherein the interplanar spacing is calculated using formula (3):
wherein a is the lattice constant of the a axis, c is the lattice constant of the c axis, and h, k and l are the crystal face indexes.
Preferably, the method for obtaining the comparison table with the corresponding relationship of the lattice constants of the crystals under different stresses comprises the following steps:
and calculating the first lattice constant of the crystal under different stresses according to the density functional theory to obtain a comparison table.
Preferably, the DFT calculation software is used for calculating the first lattice constant, inputting the stress parameter range value, the material structure and the material element component, and outputting the stress-lattice constant comparison table.
Wherein the DFT calculation software comprises CAStep, Abinit and VASP software.
Preferably, the calculating of the corresponding relationship of the lattice constants of the crystals under different stresses to form the stress-lattice constant comparison table further includes a correction method, and if the calculated lattice constant under normal pressure is different from the known lattice constant under normal pressure obtained by the experiment, the correction is performed so that the calculated lattice constant under normal pressure is the same as the lattice constant obtained by the experiment.
The method further provides a system for detecting the residual stress of the silicon carbide crystal, which comprises the following steps:
the first computer processing unit is used for installing DFT calculation software and calculating the corresponding relation of lattice constants of crystals under different stresses to form a stress-lattice constant comparison table;
the second computer processing unit is used for obtaining an angle theta, measuring the angle theta through a rocking curve, measuring a diffraction angle of a corresponding crystal face, and taking a peak value of the diffraction angle as the angle theta;
calculating a second lattice constant according to the lattice spacing calculation formula and Bragg law by using the angle theta;
and the third computer processing unit refers to the stress-lattice constant comparison table and acquires a corresponding residual stress value according to the second lattice constant.
The invention has the beneficial effects that:
the residual stress detection method provided by the patent does not depend on any experimental parameters of the crystal material in principle, and does not need to know the mechanical property of the material in advance;
the residual stress detection method provided by the patent does not rely on elastic mechanics in principle, and can measure the residual stress generated by inelastic deformation;
the residual stress detection method provided by the patent can obtain strain information without complicated strain calculation and repeated measurement by establishing a stress-lattice constant table in advance;
the residual stress detection method provided by the patent can measure the residual stress of different crystal directions.
Drawings
In order to more clearly illustrate the embodiments of the present invention or the technical solutions in the prior art, the drawings used in the description of the embodiments or the prior art will be briefly described below, and it is obvious that the drawings in the following description are only some embodiments of the present invention, and for those skilled in the art, other drawings can be obtained according to these drawings without creative efforts.
FIG. 1 is a flow chart of a method for detecting residual stress in a silicon carbide crystal;
FIG. 2 is a rocking graph of a 4H silicon carbide crystal.
Detailed Description
The present invention will be described in further detail with reference to examples, which are illustrative of the present invention and are not to be construed as being limited thereto.
Example 1
A method for detecting residual stress of a silicon carbide crystal, as shown in FIG. 1, comprises the following steps:
calculating the corresponding relation of lattice constants of crystals under different stresses to form a stress-lattice constant comparison table;
measuring a corresponding crystal face diffraction angle through a rocking curve, and taking a peak value of the diffraction angle as an angle theta;
(III) calculating a second lattice constant according to the calculation formula of the interplanar spacing and by using the angle theta;
and (IV) referring to the stress-lattice constant comparison table, and acquiring a corresponding residual stress value by using the second lattice constant.
The method for obtaining the comparison table of the lattice constant corresponding relation of the crystals under different stresses comprises the following steps: and calculating the first lattice constant of the crystal under different stresses according to the density functional theory to obtain a comparison table.
In this embodiment, DFT calculation software may be used to input the stress parameter range value, the material structure, and the material element composition, and output the stress-lattice constant comparison table. DFT calculation software includes software programs such as Quantum-Espresso, CASTP, Abinit, VASP (Vienna Abinitio Simulation Package) and the like.
Further, as a preferable mode, there is further provided a correction method of correcting, when the calculated lattice constant under normal pressure is different from a known lattice constant obtained by an experiment under normal pressure, the lattice constant calculated under normal pressure and the lattice constant obtained by the experiment are the same.
In this embodiment, VASP software is used for calculation, stress parameters are modified, stress is set to a series of values between-4.7 GPa and 4.4GPa, and the values are submitted to VASP calculation, taking a 4H silicon carbide lattice constant and residual stress comparison table as an example:
a-axis output stress-lattice constant comparison table
c-axis output stress-lattice constant comparison table
And (II) measuring the diffraction angle of the corresponding crystal face by using a rocking curve, taking the peak value of the diffraction angle as an angle theta, and referring to fig. 2, wherein the peak value is the rocking curve of the 4H silicon carbide.
(III) a method for calculating a second lattice constant at the angle theta according to a lattice spacing calculation formula, comprising: and calculating according to the lattice spacing calculation formula and the Bragg law to obtain a second lattice constant calculation formula as follows:
calculating the angle theta through the rocking curve, and calculating the second lattice constant by equations (1) and (2), wherein lambda is the wavelength of the light source, a is the lattice constant of the a-axis, and c is the lattice constant of the c-axis. For a common copper target laboratory light source (λ (K α 1) = 1.5406 nm).
Taking specific crystal planes as examples: for the c-axis direction, for the 004 crystal plane, according to the calculation formula of the interplanar spacing of the hexagonal system:
for the 004 crystal plane, h = k = 0, l = 4, and substituting the formula (3), d = c/4 can be obtained. Then according to Bragg's law:
2dsinθ=nλ（n=1, 2, 3, ... ） (4)
wherein d is the crystal face distance, lambda is the X-ray wavelength, and theta is the included angle between the incident light and the crystal face. It is calculated that c = 4 λ/(2sin θ) nm, which is the second lattice constant of the crystal in which the lattice strain exists.
For the a-axis direction, for the 100 crystal plane, the formula (3) is substituted:
wherein a is a-axis lattice constant, c is c-axis lattice constant, h, k and l are crystal face indexes, h =1, k = 0 and l = 0. Then, according to the Bragg law, the calculation can be made
Then, the rocking curve of the 100 crystal plane is measured, and the value of a can be calculated from the diffraction peak position angle θ of the rocking curve. This is the second lattice constant of the crystal in which the lattice strain exists.
And (IV) obtaining a corresponding residual stress value by using the second lattice constant according to the stress-lattice constant comparison table.
Example 2:
based on the above method for detecting the residual stress of the silicon carbide crystal, a system for detecting the residual stress of the silicon carbide crystal is further disclosed, which comprises:
the first computer processing unit is used for installing DFT calculation software and calculating the corresponding relation of lattice constants of crystals under different stresses to form a stress-lattice constant comparison table;
the second computer processing unit is used for obtaining an angle theta, measuring the angle theta through a rocking curve, measuring a diffraction angle of a corresponding crystal face, and taking a peak value of the diffraction angle as the angle theta;
calculating a second lattice constant according to the lattice spacing calculation formula and Bragg law by using the angle theta;
and the third computer processing unit refers to the stress-lattice constant comparison table and acquires a corresponding residual stress value according to the second lattice constant.
The angle theta is generated by adopting a rocking curve measuring device and then input into the second computer processing unit.
In the several embodiments provided in the present application, it should be understood that the disclosed apparatus and method may be implemented in other ways. For example, the above-described device embodiments are merely illustrative, and for example, the division of the modules or units is only one logical functional division, and there may be other divisions when actually implemented, for example, a plurality of units or components may be combined or may be integrated into another device, or some features may be omitted, or not executed.
The units may or may not be physically separate, and components displayed as units may be one physical unit or a plurality of physical units, that is, may be located in one place, or may be distributed in a plurality of different places. Some or all of the units can be selected according to actual needs to achieve the purpose of the solution of the embodiment.
In addition, functional units in the embodiments of the present invention may be integrated into one processing unit, or each unit may exist alone physically, or two or more units are integrated into one unit. The integrated unit can be realized in a form of hardware, and can also be realized in a form of a software functional unit.
The integrated unit, if implemented in the form of a software functional unit and sold or used as a stand-alone product, may be stored in a readable storage medium. Based on such understanding, the technical solution of the embodiments of the present invention may essentially or partially contribute to the prior art, or all or part of the technical solution may be embodied in the form of a software product, where the software product is stored in a storage medium and includes several instructions to enable a device (which may be a single chip, a chip, etc.) or a processor (processor) to execute all or part of the steps of the method according to the embodiments of the present invention. And the aforementioned storage medium includes: various media capable of storing program codes, such as a usb disk, a removable hard disk, a Read-Only Memory (ROM), a Random Access Memory (RAM), a magnetic disk, or an optical disk.
The above description is only an embodiment of the present invention, but the scope of the present invention is not limited thereto, and any changes or substitutions within the technical scope of the present invention are intended to be covered by the scope of the present invention. Therefore, the protection scope of the present invention shall be subject to the protection scope of the appended claims.
Claims (10)
1. A method for detecting residual stress of a silicon carbide crystal is characterized by comprising the following steps:
calculating the corresponding relation of lattice constants of crystals under different stresses to form a stress-lattice constant comparison table;
obtaining an angle theta, measuring the angle theta through a rocking curve, measuring a diffraction angle of a corresponding crystal face, and taking a peak value of the diffraction angle as the angle theta;
calculating a second lattice constant according to a lattice spacing calculation formula and the angle theta;
and obtaining a corresponding residual stress value by using the second lattice constant according to the stress-lattice constant comparison table.
2. The method of claim 1, wherein the step of calculating the second lattice constant at the angle θ according to the interplanar spacing calculation formula comprises: and calculating according to the lattice spacing calculation formula and the Bragg law to obtain a second lattice constant calculation formula as follows:
calculating the angle theta through the rocking curve, and calculating the second lattice constant by equations (1) and (2), wherein lambda is the wavelength of the light source, a is the lattice constant of the a-axis, and c is the lattice constant of the c-axis.
3. The method of claim 1, wherein the step of obtaining a look-up table of lattice constant correspondences between crystals under different stresses comprises:
and calculating the first lattice constant of the crystal under different stresses according to the density functional theory to obtain a comparison table.
4. The method as claimed in claim 3, wherein DFT calculation software is used to calculate the first lattice constant, input the stress parameter range value, material structure and material element composition, and output the stress-lattice constant comparison table.
5. The method of claim 4, wherein the DFT calculation software includes CASSTEP, Abinit and VASP software.
6. The method for detecting the residual stress of the silicon carbide crystal according to claim 2, wherein the interplanar spacing is calculated by the formula (3):
wherein a is the lattice constant of the a axis, c is the lattice constant of the c axis, and h, k and l are the crystal face indexes.
7. The method as claimed in claim 1, wherein the calculating of the lattice constant mapping relationship of the crystal under different stresses forms a stress-lattice constant mapping table, and further comprises a correction method,
and if the calculated lattice constant under the normal pressure is different from the known lattice constant obtained by the experiment under the normal pressure, correcting to ensure that the lattice constant calculated under the normal pressure is the same as the lattice constant obtained by the experiment.
8. A system for detecting residual stress in a silicon carbide crystal, comprising:
the first computer processing unit is used for installing DFT calculation software and calculating the corresponding relation of lattice constants of crystals under different stresses to form a stress-lattice constant comparison table;
the second computer processing unit is used for obtaining an angle theta, measuring the angle theta through a rocking curve, measuring a diffraction angle of a corresponding crystal face, and taking a peak value of the diffraction angle as the angle theta;
calculating a second lattice constant according to the lattice spacing calculation formula and Bragg law by using the angle theta;
and the third computer processing unit refers to the stress-lattice constant comparison table and acquires a corresponding residual stress value according to the second lattice constant.
9. An electronic device comprising a memory and a processor, wherein the memory is configured to store one or more computer instructions, and wherein the one or more computer instructions are executed by the processor to implement a method for detecting residual stress in a silicon carbide crystal according to any one of claims 1-7.
10. A computer-readable storage medium storing a computer program, wherein the computer program is configured to cause a computer to execute the method for detecting residual stress of a silicon carbide crystal according to any one of claims 1 to 7.
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