X-ray diffractometer simulation device and method of using the same

Abstract

An X-ray diffractometer simulation device and a method of using the same relate to the technical field of instruments for demonstrating material science characterization methods. The X-ray diffractometer simulation device includes a base, a light source, a sample simulator, and a light receiving device; the outer wall of the sample simulator is provided with a plurality of reflectors, and the reflectors correspond one-to-one to the crystal planes on which the sample simulator diffracts; the sample simulator is rotatably connected to the base via a rotating shaft; the light source, the light receiving device, and the rotating shaft are arranged on the same plane, and the sample simulator is located in the middle of the light source and the light receiving device; the light source and the light receiving device can rotate toward or away from each other around the sample simulator at the same preset radius; the light beam emitted by the light source can be used to irradiate the reflector so that the light beam is reflected to the light receiving device via the reflector; the light receiving device is used to display the intensity information of the reflected light. The X-ray diffractometer simulation device helps teachers and students learn the methods of X-ray diffraction technology and the principles of powder diffractometers through abstract and profound theories.

Description

Technical Field

[0001] The present invention relates to the technical field of materials science characterization method demonstration instruments, and in particular to an X-ray diffractometer simulation device and a method for using the same. Background Art

[0002] X-ray diffraction analysis technology (XRD) is an important technology for analyzing the physical phase of solid crystalline materials. The diffraction data generated by each crystal can reflect the atomic arrangement pattern inside the crystal. Therefore, the X-ray diffraction spectrum is also considered to be the "fingerprint" of a certain specific crystalline material. It can obtain a variety of useful information such as the crystal structure, composition, stress, orientation, crystallinity, etc. of the material constituting the sample under test based on the angle, intensity, width, etc. of the diffraction peak of the X-ray irradiated to the sample under test. X-ray diffraction analysis technology has been used in various fields as an important testing method and structural analysis means.

[0003] The diffraction of X-ray diffraction on the crystal plane must first meet the Bragg diffraction conditions, and also be based on the kinematic theory. The appearance of diffraction peaks also requires that the structure factor is not equal to zero. Therefore, only some crystal planes that meet the Bragg conditions and the kinematic conditions will produce diffraction. Therefore, in the XRD spectrum, there are only a limited number of diffraction peaks with different intensities. In daily teaching and training, when teachers explain the principles of X-ray diffraction analysis and the principles of diffractometers, it is difficult for students to gain an intuitive understanding due to the relatively complex and profound theories. Therefore, a simple and practical demonstration instrument is needed to assist teaching work, so as to help students learn the principles of X-ray diffraction and diffractometers to reduce teaching pressure. Summary of the invention

[0004] The purpose of the present invention is to provide an X-ray diffractometer simulation device and a method of using the same, which can help students learn X-ray diffraction technology and diffractometer principles, thereby reducing teaching pressure.

[0005] The embodiment of the present invention is achieved as follows:

[0006] In one aspect of the present invention, an X-ray diffractometer simulation device is provided, which includes a base, a light source, a sample simulator and a light receiving device; wherein, the outer wall of the sample simulator is provided with a plurality of reflectors, and the reflectors are arranged one by one corresponding to the crystal planes where the sample simulator diffracts, the sample simulator is rotatably connected to the base via a rotating shaft, the light source and the light receiving device and the rotating shaft are arranged on the same plane, and the sample simulator is located in the middle of the light source and the light receiving device, the light source and the light receiving device can rotate around the sample simulator with the same preset radius, and the direction of the light source is opposite to that of the light receiving device, the light beam emitted by the light source can be used to irradiate the reflector, so that the light beam is reflected by the reflector to the light receiving device, and the light receiving device is used to display the intensity information of the reflected light of the reflector. The X-ray diffractometer simulation device can help students learn the principles of X-ray diffraction and diffractometers, thereby reducing teaching pressure.

[0007] Optionally, the plurality of reflectors are respectively provided with marks, and the marks of each reflector are different.

[0008] Optionally, the reflectivity of the reflector is positively correlated with the light intensity of the diffraction phenomenon occurring at the crystal plane of the sample simulator corresponding to the reflector.

[0009] Optionally, the X-ray diffractometer simulation device also includes a controller and a synchronization device, the controller is electrically connected to the synchronization device and is used to control the action of the synchronization device, and the synchronization device is used to drive the sample simulator, the light source and the light receiving device to rotate at the same angle.

[0010] Optionally, the synchronization device includes a first driving mechanism connected to the sample simulator, a second driving mechanism connected to the light source, and a third driving mechanism connected to the light receiving device. The first driving mechanism, the second driving mechanism and the third driving mechanism are respectively used to drive the sample simulator, the light source and the light receiving device to rotate at the same angle.

[0011] Optionally, the X-ray diffractometer simulation device also includes a display, which is electrically connected to the controller, and the controller is electrically connected to the light receiving device. The controller is used to receive intensity information from the light receiving device and send it to the display, and the display is used to display the simulated diffraction pattern corresponding to the sample simulator.

[0012] Optionally, the X-ray diffractometer simulation device also includes a calibration mirror, which is arranged on the outer wall of the sample simulator and is spaced apart from the reflecting mirror. When the calibration mirror rotates to be parallel to the horizontal plane under the action of the sample simulator, the calibration mirror, the light source and the light receiving device are collinear.

[0013] Optionally, the light receiving device is a plane mirror.

[0014] Optionally, there is a gap between two adjacent reflectors.

[0015] Another aspect of the present invention provides a method for using an X-ray diffractometer simulation device, the method for using the X-ray diffractometer simulation device comprising: rotating a light source, a light receiving device, and a sample simulator at the same preset angles, respectively, so that the light beam emitted by the light source is irradiated onto the reflector of the sample simulator and reflected to the light receiving device, wherein the incident angle of the light beam is equal to the reflection angle reflected to the light receiving device, and is equal to the Bragg angle at which the reflector is located; adjusting the preset angle according to the Bragg angle at which the reflector is located, obtaining the light intensity of the diffraction phenomenon occurring at the crystal plane corresponding to different reflectors, and obtaining the simulated diffraction spectrum corresponding to the sample simulator. The method for using the X-ray diffractometer simulation device can help students learn the principles of X-ray diffraction and diffractometers, thereby reducing teaching pressure.

[0016] The beneficial effects of the present invention include:

[0017] The X-ray diffractometer simulation device of the present application includes a base, a light source, a sample simulator and a light receiving device; wherein, a plurality of reflectors are provided on the outer wall of the sample simulator, and the reflectors are arranged one-to-one corresponding to the crystal planes on which the sample simulator diffracts, the sample simulator is rotatably connected to the base via a rotating shaft, the light source and the light receiving device and the rotating shaft are arranged on the same plane, and the sample simulator is located in the middle position of the light source and the light receiving device, the light source and the light receiving device can rotate around the sample simulator with the same preset radius, and the direction of the light source is opposite to that of the light receiving device, the light beam emitted by the light source can be used to irradiate the reflector so that the light beam is reflected by the reflector to the light receiving device, and the light receiving device is used to display the intensity information of the reflected light of the reflector. In this way, in order to explain the X-ray diffraction phenomenon and the conditions that need to be met more intuitively, and to teach students the working principle of the X-ray diffractometer, the sample simulator, light source and light receiving device can be adjusted to rotate the three to the same angle, so that the light beam is irradiated to the reflector in the horizontal position of the sample simulator and the reflection angle of the reflected light reflected to the light receiving device is equal. And the sample simulator reflector also happens to rotate from the horizontal position. At this time, according to the law of reflection of light, the reflection condition of light is met. At this time, the intensity signal is reflected at the light receiving device, which means that the Bragg condition of X-ray diffraction has been met, and it means that the Bragg angle corresponding to the reflector in the horizontal position has no systematic extinction, and diffraction can occur; otherwise, it means that the angle corresponding to the reflector in the horizontal position does not meet the Bragg condition, or although the Bragg condition is met, systematic extinction occurs and diffraction cannot occur. This helps students learn the conditions that need to be met when X-ray diffraction occurs and the working principle of the X-ray diffractometer. Compared with the commercial X-ray diffractometers in the prior art, the X-ray diffractometer simulation device provided in the present application has a simple structure, low cost, is easy to observe, and is easy to carry, and is more suitable for teaching work. Through the X-ray diffractometer simulation device, students can learn and understand the working principle of the X-ray diffractometer and the conditions for X-ray diffraction in a more intuitive way. BRIEF DESCRIPTION OF THE DRAWINGS

[0018] In order to more clearly illustrate the technical solutions of the embodiments of the present invention, the drawings required for use in the embodiments are briefly introduced below. It should be understood that the following drawings only show certain embodiments of the present invention and therefore should not be regarded as limiting the scope. For ordinary technicians in this field, other related drawings can be obtained based on these drawings without creative work.

[0019] Figure 1 One of the structural schematic diagrams of the X-ray diffractometer simulation device provided in an embodiment of the present invention;

[0020] Figure 2 A schematic diagram of the installation of a sample simulator, a reflector, and a calibration mirror provided in an embodiment of the present invention;

[0021] Figure 3 Schematic diagram of the structure of the X-ray diffractometer simulation device provided in the embodiment of the present invention Figure 2 ;

[0022] Figure 4 A schematic diagram of Bragg diffraction conditions according to an embodiment of the present invention;

[0023] Figure 5 A third structural schematic diagram of an X-ray diffractometer simulation device provided in an embodiment of the present invention;

[0024] Figure 6 A fourth structural schematic diagram of an X-ray diffractometer simulation device provided in an embodiment of the present invention;

[0025] Figure 7 A flowchart of a method for using an X-ray diffractometer simulation device provided in an embodiment of the present invention.

[0026] Icon: 10- rotating arm; 20- light source; 30- sample simulator; 31- rotating shaft; 40- light receiving device; 50- reflecting mirror; 51- gap; 52- bracket; 60- controller; 70- synchronization device; 71- first driving mechanism; 72- second driving mechanism; 73- third driving mechanism; 80- display; 90- calibration mirror; 111- first crystal plane; 220- second crystal plane; 400- third crystal plane. DETAILED DESCRIPTION

[0027] In order to make the purpose, technical solutions and advantages of the embodiments of the present invention clearer, the technical solutions in the embodiments of the present invention will be clearly and completely described below in conjunction with the drawings in the embodiments of the present invention. Obviously, the described embodiments are part of the embodiments of the present invention, not all of the embodiments. Generally, the components of the embodiments of the present invention described and shown in the drawings here can be arranged and designed in various different configurations.

[0028] Therefore, the following detailed description of the embodiments of the present invention provided in the accompanying drawings is not intended to limit the scope of the invention claimed for protection, but merely represents selected embodiments of the present invention. Based on the embodiments of the present invention, all other embodiments obtained by ordinary technicians in this field without creative work are within the scope of protection of the present invention.

[0029] It should be noted that similar reference numerals and letters denote similar items in the following drawings, and therefore, once an item is defined in one drawing, further definition and explanation thereof is not required in subsequent drawings.

[0030] In the description of the present invention, it should be noted that the terms "center", "upper", "lower", "left", "right", "vertical", "horizontal", "inside", "outside", etc. indicate positions or positional relationships based on the positions or positional relationships shown in the accompanying drawings, or the positions or positional relationships in which the product of the invention is usually placed when in use. They are only for the convenience of describing the present invention and simplifying the description, and do not indicate or imply that the device or element referred to must have a specific position, be constructed and operated in a specific position, and therefore cannot be understood as limiting the present invention. In addition, the terms "first", "second", "third", etc. are only used to distinguish the description, and cannot be understood as indicating or implying relative importance.

[0031] In addition, the terms "horizontal", "vertical" and the like do not mean that the components are required to be absolutely horizontal or suspended, but can be slightly tilted. For example, "horizontal" only means that its direction is more horizontal than "vertical", and does not mean that the structure must be completely horizontal, but can be slightly tilted.

[0032] In the description of the present invention, it is also necessary to explain that, unless otherwise clearly specified and limited, the terms "set", "install", "connect", and "connect" should be understood in a broad sense, for example, it can be a fixed connection, a detachable connection, or an integral connection; it can be a mechanical connection or an electrical connection; it can be a direct connection, or it can be indirectly connected through an intermediate medium, or it can be the internal communication of two elements. For ordinary technicians in this field, the specific meanings of the above terms in the present invention can be understood according to specific circumstances.

[0033] X-ray diffractometer is one of the basic tools used in modern crystallographic research. When X-rays are incident on a crystal, since the crystal is composed of unit cells of atoms arranged regularly, the distance between these regularly arranged atoms is in the same order of magnitude as the wavelength of the incident X-rays, so the X-rays scattered by different atomic planes interfere with each other, and strong X-ray diffraction is produced in certain special directions. The orientation and intensity of the diffraction line in the space distribution are closely related to the crystal structure, which is the basic principle of X-ray diffraction. By analyzing the diffraction pattern of the X-ray diffractometer, information such as the composition and crystal structure of the material can be obtained. Since the X-ray diffraction technology is relatively complex, in order to facilitate teaching and enable students to master this technology as soon as possible, this application hereby proposes a special X-ray diffractometer simulation device for teaching, which is intended to facilitate helping students learn the principle of X-ray diffraction, thereby reducing teaching pressure. It is equivalent to the principle of the X-ray diffractometer, but its structure is simpler, the cost is lower, and it is more conducive to observation and learning, and it is a good teaching aid.

[0034] Please refer to Figure 1 and Figure 2The X-ray diffractometer simulation device provided in this embodiment mainly includes a base, a light source 20, a sample simulator 30 and a light receiving device 40. Among them, a plurality of reflectors 50 are provided on the outer wall of the sample simulator 30, and the reflectors 50 are arranged one by one corresponding to the crystal planes where the sample simulator 30 diffracts. The sample simulator 30 is rotatably connected to the base through a rotating shaft 31. The light source 20 and the light receiving device 40 and the rotating shaft 31 are arranged on the same plane, and the sample simulator 30 is located in the middle of the light source 20 and the light receiving device 40. The light source 20 and the light receiving device 40 can rotate around the sample simulator 30 with the same preset radius, and the direction of the light source 20 is opposite to that of the light receiving device 40. The light beam emitted by the light source 20 can be used to irradiate the reflector 50, so that the light beam is reflected to the light receiving device 40 through the reflector 50, and the light receiving device 40 is used to display the intensity information of the reflected light of the reflector 50. The X-ray diffractometer simulation device can help students learn the principles of X-ray diffraction and diffractometers, thereby reducing teaching pressure.

[0035] It should be noted that, in the present embodiment, the light source 20 and the light receiving device 40 are respectively connected to their corresponding rotating arms 10, and rotate around the sample simulator 30 through their respective rotating arms 10. For example, the movement trajectories of the two rotating arms 10 are both semicircular. In addition, in addition to the rotation function, the two rotating arms 10 can also play a supporting role for the light source 20 and the light receiving device 40 respectively (in the present embodiment, the light source 20 and the light receiving device 40 can be placed at the top of the two rotating arms 10 respectively, and the normals of the light source 20 and the light receiving device 40 intersect at the center of the trajectory circle).

[0036] The rotating arm 10 can be used to support the light source 20, so that the light source 20 rotates around the sample simulator 30 with the rotating arm 10 as a base (to be precise, it should rotate around the section of the upper end of the sample simulator 30 parallel to the horizontal plane, see Figure 1 and / or supporting the light receiving device 40 so that the light receiving device 40 rotates around the reflector 50 parallel to the horizontal plane of the sample simulator 30 with the rotating arm 10 as the base.

[0037] It should be noted that the end of the rotating arm 10 of the present application close to the sample simulator can be hinged on the base. The above two rotating arms 10 are mainly used to drive the light source 20 and the light receiving device 40 to rotate towards or away from each other, at a uniform speed and simultaneously. It should be understood that the existence of the rotating arm 10 should not block the normal emission of the light beam by the light source 20, and should not affect the normal reflection of the light beam on the reflector 50, and should not affect the normal reception of the reflected light by the light receiving device 40, that is, the existence of the rotating arm 10 should not affect the normal transmission of the light beam. Specifically, how to make the rotating arm 10 not affect the normal transmission process of the light beam, technical personnel in this field can choose a suitable solution by themselves, and this application does not limit it, such as using a hollow rotating arm 10.

[0038] In addition, the present application may also include a telescopic mechanism (such as a linear motor or a telescopic arm, etc.) and two connecting rods respectively connected to the telescopic mechanism, wherein one connecting rod is used to connect the rotating arm 10 connected to the light source 20, and the other connecting rod is used to connect the rotating arm 10 connected to the light receiving device 40, wherein the telescopic mechanism is located directly above the sample simulator 30 and between the light receiving device 40 and the light source 20. In this way, the present application can drive the telescopic mechanism to perform telescopic movement toward the sample simulator 30, thereby pulling the two rotating arms 10 to move toward or away from each other at the same time. It should be understood that the above-mentioned implementation method of the rotating arms 10 rotating in the same direction or in opposite directions at the same time is only an example of the present application. In other embodiments, those skilled in the art can choose other implementation methods according to actual conditions.

[0039] For example, please refer to Figure 3 In the present application, the normal lines of the light source 20 and the light receiving device 40 intersect at the center of the trajectory circle, mainly to facilitate guiding the light source 20 and the light receiving device 40 to rotate around the sample simulator 30.

[0040] In this embodiment, optionally, the rotation mode of the light source 20 and the light receiving device 40 of the present application, in addition to the above-mentioned use of the rotating arm 10 to drive the rotation, can also be a slide rail mode, that is, a slide groove is arranged on the motion trajectory of the light source 20 and the light receiving device 40 (that is, the above-mentioned trajectory circle), the light source 20 is provided with a first slide rail, and the light receiving device 40 is provided with a second slide rail, and the first slide rail and the second slide rail are respectively adapted to the slide groove, so that the light source 20 and the light receiving device 40 can rotate around the sample simulator 30. It should be understood that the arrangement of the above-mentioned slide groove and slide rail should not affect the optical path.

[0041] In this embodiment, the light source 20 is used to emit a light beam, so that the light beam is irradiated on a reflector 50 provided on the sample simulator 30. For example, the reflector 50 can be attached to the periphery of the sample simulator 30, or can be fixed to the periphery of the sample simulator 30 through a bracket 52.

[0042] In addition, in this embodiment, in order to prevent the problem of reduced resolution of the simulated X-ray diffraction intensity and angle corresponding distribution due to the diffusion of the light beam emitted by the light source 20, in this embodiment, optionally, a collimating optical element for a parallel light beam can be added at the light output end of the light source 20.

[0043] It should be understood that the sample simulator 30 mentioned in this embodiment is mainly used to simulate crystals, and the reflectors 50 are provided on the peripheral wall of the sample simulator 30 to simulate each crystal plane of the crystal, that is, one reflector 50 corresponds to one crystal plane that can produce a diffraction peak. It should be understood that the reflector of the reflector 50 should be away from the sample simulator 30 so that the light beam emitted by the light source 20 can be irradiated on the reflector of the reflector 50.

[0044] The reflector 50 of the present application corresponds to the diffraction-prone crystal plane of the crystal simulated by the sample simulator 30, and the reflector 50 is at the angle of the sample simulator 30 corresponding to the diffraction angle of the crystal plane of the crystal. Of course, when there are many diffraction peaks of the crystal that need to be demonstrated, the reflector 50 can also be selectively attached to the corresponding crystal plane that can produce the diffraction peak that needs to be demonstrated. The specific situation will be determined by those skilled in the art, as long as the crystal plane of the crystal simulated by the sample simulator 30 corresponds to the angle of the reflector on the sample simulator 30. Specifically, the position of the diffraction-prone crystal plane relative to the crystal can be defined by the Bragg angle, and the position of the reflector 50 of the present application relative to the sample simulator 30 can also be determined based on the Bragg angle.

[0045] For example, taking silicon as an example, silicon can have diffraction peaks at Bragg angles of 14.2°, 23.6° and 34.6°, and the crystal planes corresponding to these diffraction peaks are the first crystal plane 111, the second crystal plane 220 and the third crystal plane 400 (the weaker diffraction situation when the Bragg angle is 28.06° is not marked). At this time, correspondingly, when teaching students or other learners about the principles of X-ray diffraction and diffractometers, please refer to Figure 2 As shown, the reflector 50 of the present application can be attached to positions corresponding to 14.2°, 23.6°, 28.06° (not shown) and 34.6°. It should be understood that Figure 2 The position of the reflector 50 shown is only an example. When demonstrating the X-ray diffraction principle for other crystals, the reflector 50 is set according to the Bragg angle at which the corresponding crystal can diffract.

[0046] In addition, since the reflector 50 generally has a certain width (see Figure 2As shown, the width direction is colinear with the tangent of the peripheral wall of the sample simulator 30), which has a certain reflection angle. In order to prevent the surface where no diffraction occurs during the simulation demonstration from having a low resolution of the final simulated diffraction pattern due to the excessive width of the reflector 50 (that is, there is still an intensity signal at the angle where no diffraction occurs), optionally, in this embodiment, the reflector 50 should be set relatively narrow, that is, there should be a gap 51 between two adjacent reflectors 50.

[0047] In this embodiment, the light receiving device 40 is used to detect the light intensity signal, that is, when the light source 20 rotates θ°, the sample simulator 30 rotates θ° and the light receiving device 40 also rotates θ° (it should be noted that θ° here is the angle corresponding to the Bragg angle), at this time, the incident angle is equal to the reflection angle and equal to the Bragg angle, then the Bragg equation can be satisfied, and diffraction may occur.

[0048] Please understand, please refer to Figure 4 If the incident angle of two coherent X-rays is equal to the reflection angle, and the optical path difference (2dsinθ) is equal to an integer multiple of the wavelength (nλ), constructive interference may occur. This is the Bragg equation (see formula ①), or the Bragg condition:

[0049] 2d sinθ=nλ ①

[0050] Among them, in the above formula ①, d is the interplanar spacing, θ is the Bragg angle, n is the diffraction order and is an integer, and λ is the wavelength. It can be seen from the above formula ① that the Bragg condition needs to satisfy that the incident angle is equal to the reflection angle and equal to the Bragg angle. Of course, according to the kinematic theory, the appearance of the diffraction peak also needs to satisfy that the structure factor is not equal to zero. Therefore, in the XRD spectrum, there are only a limited number of diffraction peaks, and the higher the symmetry of the crystal structure, the fewer diffraction peaks, because many crystal planes have systematic extinction because the structure factor is equal to zero. The present application is to synchronously rotate the light source 20, the sample simulator 30 and the light receiving device 40 so that the light source 20, the sample simulator 30 and the light receiving device 40 are at the same angle, thereby satisfying the Bragg condition, that is, satisfying that the incident angle is equal to the reflection angle and equal to the Bragg angle. It should be understood that the light source 20, the sample simulator 30 and the light receiving device 40 should all be at the zero degree position before rotation. In this way, the synchronous rotation of the light source 20, the sample simulator 30 and the light receiving device 40 can accurately demonstrate the X-ray diffraction phenomenon, so that students can learn about the conditions that need to be met when the diffraction phenomenon occurs, as well as the working principle of the X-ray diffractometer.

[0051] Optionally, in this embodiment, the light receiving device 40 can be a dedicated device for recording light intensity (i.e., a light intensity recorder), or a simplified version of a plane mirror can be used instead. For example, the light intensity recorder can be a brightness meter or an illuminance meter. In actual use, in order to simplify the equipment or reduce costs, a plane mirror can be preferred, so that students can know whether the diffraction phenomenon occurs by observing the light spot on the plane mirror.

[0052] It should be noted that the X-ray diffractometer simulation device provided by the present application is intended to help students understand and learn the working principle of the X-ray diffractometer and the conditions that need to be met when the X-ray diffraction phenomenon occurs, that is, when the conditions that need to be met when the X-ray diffraction phenomenon occurs are met, the intensity detector of the X-ray diffractometer simulation device of the present application can show the corresponding light intensity signal; when the conditions that need to be met when the X-ray diffraction phenomenon occurs are not met, the intensity detector of the X-ray diffractometer simulation device of the present application will not show the corresponding light intensity signal. This display can deepen students' understanding and knowledge of the working principle of the X-ray diffractometer and the conditions that need to be met for X-ray diffraction.

[0053] That is to say, the X-ray diffractometer simulation device of the present application only needs to show that when the reflector 50 of the sample simulator 30 is rotated to a horizontal position (with Figure 1 The orientation shown is taken as the standard), the corresponding rotation angles of the light source 20 and the light receiving device 40 are also consistent with the rotation angle of the sample simulator 30. At this time, according to the Bragg angle of the crystal plane corresponding to the reflector 50 in the horizontal position, when the Bragg angle can diffract (that is, there is no systematic extinction), the light source 20 emits a light beam, which can be irradiated onto the reflector 50 on the sample simulator 30 (that is, the reflector 50 in the horizontal position), and can be reflected to the light receiving device 40, and then an intensity signal can be reflected on the light receiving device 40, which means that the Bragg angle at which the reflector 50 is located can diffract; when the demonstration does not meet the Bragg condition or meets the Bragg condition but systematic extinction occurs, the light source 20 emits a light beam, which can be irradiated onto the sample simulator 30, but at this time the sample simulator 30 has no crystal plane, and there is no reflection to the light receiving device 40, and then the intensity signal cannot be reflected on the light receiving device 40, which means that the Bragg condition is not met or the structure factor is equal to zero and diffraction cannot occur.

[0054] Please refer to Figure 3As shown, in order to facilitate the light beam emitted by the light source 20 to irradiate the sample simulator 30 and reflect it onto the light receiving device 40, the light source 20, the light receiving device 40 and the rotating shaft 31 of the sample simulator 30 are in the same plane, and the light source 20 and the light receiving device 40 can rotate around the sample simulator 30 at the same preset radius (that is, the same rotation angle). Since the X-ray diffractometer simulation device of the present application simulates an X-ray diffractometer, it is similar to the basic principle of the X-ray diffractometer. Therefore, the relative position of the light source 20 and the light receiving device 40 and the preset radius will not be described in detail in this application. In addition, it should be known that the reason why the present application adopts a working principle similar to that of an X-ray diffractometer is to enable students to learn and understand the working principle of an X-ray diffractometer and the conditions for X-ray diffraction in a simple and more intuitive way. Compared with the commercial X-ray diffractometers in the prior art, the simulation device of the present application has no radiation risk, a simpler structure, low cost, and is more intuitive to observe, and is more suitable for teaching work. Correspondingly, the commercial X-ray diffractometers in the prior art are only suitable for the research and detection of crystal structures, X-rays are invisible, and the underlying principles are not obvious.

[0055] Since the commonly used measurement settings of X-ray diffractometers are mostly θ-θ (that is, when the x-ray tube rotates by an angle of θ, the corresponding detector rotates by an angle of θ), in order to facilitate the simulation of a real X-ray instrument, this application also adopts a θ-θ setting. In addition, there are various slits and monochromator devices in actual diffractometers to improve more optimized test results, but these are not the substantive issues of diffraction, so this solution does not involve these details. Of course, in other embodiments, these can also be added when making the model, such as using a slit to simulate a slit and a reflector to simulate a monochromator. Because X-rays are also photons, it is also very easy to simulate and explain using optical knowledge.

[0056] In summary, the X-ray diffractometer simulation device of the present application includes a base, a light source 20, a sample simulator 30, a light receiving device 40 and a light receiving device 40. Among them, a plurality of reflectors 50 are provided on the outer wall of the sample simulator 30, and the reflectors 50 are arranged one by one corresponding to the crystal planes where the sample simulator 30 diffracts. The sample simulator 30 is rotatably connected to the base through a rotating shaft 31. The light source 20 and the light receiving device 40 and the rotating shaft 31 are arranged on the same plane, and the sample simulator 30 is located in the middle of the light source 20 and the light receiving device 40. The light source 20 and the light receiving device 40 can rotate around the sample simulator 30 with the same preset radius, and the direction of the light source 20 is opposite to that of the light receiving device 40. The light beam emitted by the light source 20 can be used to irradiate the reflector 50 so that the light beam is reflected to the light receiving device 40 through the reflector 50, and the light receiving device 40 is used to display the intensity information of the reflected light of the reflector 50. In this way, in order to explain the X-ray diffraction phenomenon and the conditions that need to be met to students more intuitively and teach students the working principle of the X-ray diffractometer in teaching work, the sample simulator 30, the light source 20 and the light receiving device 40 can be adjusted to rotate the three to the same angle, thereby ensuring that the incident angle of the light beam emitted by the light source 20 is equal to the reflection angle of the light beam irradiated to the reflector 50 at the horizontal position of the sample simulator 30 and reflected to the light receiving device 40, and is also equal to the Bragg angle of the reflector 50 at the horizontal position of the sample simulator 30, which means that the Bragg condition has been met. At this time, if an intensity signal is reflected at the light receiving device 40, it means that the Bragg angle corresponding to the reflector 50 at the horizontal position does not have systematic extinction, and diffraction can occur; on the contrary, if the reflector 50 does not exist or the reflectivity is 0, it means that the horizontal position does not meet the Bragg condition or the Bragg angle corresponding to the reflector 50 has systematic extinction, and diffraction cannot occur, thereby helping students learn the conditions that need to be met when X-ray diffraction occurs and the working principle of the X-ray diffractometer. Compared with the commercial X-ray diffractometers in the prior art, the X-ray diffractometer simulation device provided in the present application has a simple structure, low cost, is easy to observe, and is easy to carry, and is more suitable for teaching work. Through the X-ray diffractometer simulation device, students can learn and understand the working principle of the X-ray diffractometer and the conditions for X-ray diffraction in a more intuitive way.

[0057] In order to enable students to observe the intensity of the diffraction phenomenon occurring at different Bragg angles, optionally, the reflectivity of the reflector 50 is positively correlated with the light intensity of the diffraction phenomenon occurring at the crystal plane of the sample simulator 30 corresponding to the reflector 50. Reflectors with different reflectivities can be selected to present this difference in intensity. In short, the present application can assign a roughly proportional reflectivity (that is, the reflectivity should be positively correlated with the diffraction intensity, which is convenient for demonstration and does not need to be too precise) to the reflector 50 arranged on the crystal plane according to the diffraction intensity of the crystal when diffraction occurs on the corresponding crystal plane. In this way, the intensity signal finally reflected on the light receiving device 40 is relatively intuitive. For example, taking silicon as an example, please refer to Table 1. Since the intensity corresponding to the first crystal plane 111 is higher, the second crystal plane 220 is second, and the third crystal plane 400 is third, so for this situation, please refer to Table 1. Figure 2 As shown, the reflector 50 corresponding to the first crystal plane 111 should be a reflector with a higher reflectivity, while the reflector 50 corresponding to the second crystal plane 220 should be a reflector with a reflectivity lower than that of the reflector 50 corresponding to the first crystal plane 111, and the reflector 50 corresponding to the third crystal plane 400 should be a reflector with a reflectivity lower than that of the reflector 50 corresponding to the second crystal plane 220. In this way, when students observe the diffraction intensities corresponding to the first crystal plane 111, the second crystal plane 220, and the third crystal plane 400, they can intuitively observe the relationship between the corresponding Bragg angle and the intensity through the light receiving device 40.

[0058] Table 1:

[0059] 2θ Interplanar spacing strength Crystal face 28.44217 3.1355 100 111 47.30226 1.9201 55 220 56.12053 1.6375 6 311 69.13014 1.3577 30 400

[0060] Please refer to Figure 5 and Figure 6 In order to facilitate the synchronous rotation of the light source 20, the sample simulator 30 and the light receiving device 40, the X-ray diffractometer simulation device optionally further includes a controller 60 and a synchronization device 70. The controller 60 is electrically connected to the synchronization device 70 to control the operation of the synchronization device 70. The synchronization device 70 is used to drive the sample simulator 30, the light source 20 and the light receiving device 40 to rotate at the same angle. For example, the synchronization device 70 can be implemented by a multi-stage gear or the like.

[0061] In addition, optionally, in the present embodiment, the synchronization device 70 may also include a first driving mechanism 71 connected to the sample simulator 30, a second driving mechanism 72 connected to the light source 20, and a third driving mechanism 73 connected to the light receiving device 40, and the first driving mechanism 71, the second driving mechanism 72, and the third driving mechanism 73 are respectively used to drive the sample simulator 30, the light source 20, and the light receiving device 40 to rotate at the same angle. In this way, the sample simulator 30, the light source 20, and the light receiving device 40 can also be driven to rotate separately. The specific setting method to be adopted can be determined by those skilled in the art according to the actual situation, and this application does not limit it.

[0062] Optionally, the X-ray diffractometer simulation device further includes a display 80, the display 80 is electrically connected to the controller 60, the controller 60 is electrically connected to the light receiving device 40, the controller 60 is used to receive the intensity information of the light receiving device 40, and send it to the display 80, and the display 80 is used to display the simulated diffraction spectrum corresponding to the sample simulator 30. In this way, the light intensity signal detected by the light receiving device 40 can be sent to the controller 60, and the controller 60 analyzes and processes the light intensity signal and then corresponds the light intensity signal to the corresponding Bragg angle one by one, thereby obtaining a simulated X-ray diffraction spectrum to display on the display 80, so that students can understand and learn the X-ray diffraction spectrum by observing the display 80.

[0063] Optionally, in order to make the demonstration effect of the X-ray diffractometer simulation device provided by the present application better, in the present embodiment, the X-ray diffractometer simulation device further includes a calibration mirror 90, which is arranged on the outer wall of the sample simulator 30 and is collinear with the light source 20 and the light receiving device 40. In this way, the calibration of the light source 20, the light receiving device 40 and the sample simulator 30 can be achieved by aligning the light source 20 and the light receiving device 40 with the calibration mirror 90.

[0064] For the convenience of display, optionally, in this embodiment, multiple reflectors 50 are respectively provided with marks, and the marks of each reflector are different. In this way, when displaying, the crystal plane displayed can be identified by the mark on the corresponding reflector 50. For example, the mark can be a color mark (for example, each reflector is given a different color).

[0065] Please refer to Figure 7 In another aspect of the present invention, a method for using an X-ray diffractometer simulator is provided, and the method for using the X-ray diffractometer simulator comprises the following steps:

[0066] S100, rotate the light source 20, the light receiving device 40 and the sample simulator 30 at the same preset angles respectively, so that the light beam emitted by the light source 20 is irradiated onto the reflector 50 of the sample simulator 30 and reflected to the light receiving device 40, wherein the incident angle of the light beam is equal to the reflection angle reflected to the light receiving device 40, and is equal to the Bragg angle at which the reflector 50 is located.

[0067] The same preset angle means that the light source 20, the light receiving device 40 and the sample simulator 30 are rotated to the same angle. It should be noted that the initial positions of the light source 20, the light receiving device 40 and the sample simulator 30 are also the same, that is, the zero position. Of course, in actual operation, the light source 20, the light receiving device 40 and the sample simulator 30 can also be rotated at a constant speed from a certain angle at the same time, for example, Figure 1 Based on the orientation shown, θ can be 5° or 10°, etc.

[0068] In addition, the sample simulator 30, the light source 20 and the light receiving device 40 can be driven individually by the first driving mechanism 71, the second driving mechanism 72 and the third driving mechanism 73 respectively, or can be driven synchronously by the synchronization device 70, which is not limited in the present application.

[0069] S200 , adjusting the preset angle according to the Bragg angle of the reflector 50 , obtaining the light intensity of the diffraction phenomenon occurring at the crystal planes corresponding to different reflectors 50 , and obtaining the simulated diffraction pattern corresponding to the sample simulator 30 .

[0070] By rotating the sample simulator 30, the light source 20 and the light receiving device 40, the reflectors 50 corresponding to other crystal planes on the sample simulator 30 that can diffract are rotated to a horizontal position, and then the light source 20 emits a light beam to irradiate the reflector 50 to reflect to the light receiving device 40. As the sample simulator 30, the light source 20 and the light receiving device 40 rotate at the same angle, the diffraction conditions that can occur at the reflector 50 corresponding to each Bragg angle can be demonstrated one by one, so that students can understand the diffraction conditions by observing the light receiving device 40.

[0071] It should be understood that the components may be rotated at a uniform speed by rotating at preset angles until the reflection condition is satisfied, or the components may be directly rotated until the reflection condition is satisfied.

[0072] It should be understood that the light intensity of the diffraction phenomenon occurring at the crystal plane corresponding to the different reflectors 50 obtained above, the light intensity here can be a reflection of whether the diffraction phenomenon occurs (that is, if no light is observed, no diffraction phenomenon occurs, and if the observed light intensity is not equal to 0, it means that the diffraction phenomenon occurs, and this situation corresponds to when the light receiving device 40 is a plane mirror); it can also be the intensity value of the light intensity (in this case, the light receiving device 40 is an optical device that can detect the light intensity. It should be understood that when the above-mentioned structural part has a display 80, the corresponding light receiving device 40 used should be an optical device that can detect the light intensity, and the reflectors 50 corresponding to different crystal planes should also have a reflectivity that matches the intensity when diffraction occurs). In this way, students can intuitively understand the intensity of diffraction corresponding to the corresponding Bragg angle through the light receiving device 40.

[0073] In addition, the simulated diffraction pattern corresponding to the sample simulator 30 obtained above can be a simple simulated diffraction pattern manually drawn by an operator by observing the condition of the light receiving device 40 , or it can be a simulated diffraction pattern analyzed by the controller 60 and displayed on the display 80 .

[0074] The above description is only an optional embodiment of the present invention and is not intended to limit the present invention. For those skilled in the art, the present invention may have various modifications and variations. Any modification, equivalent replacement, improvement, etc. made within the spirit and principle of the present invention shall be included in the protection scope of the present invention.

[0075] It should also be noted that the various specific technical features described in the above specific embodiments can be combined in any suitable manner without contradiction. In order to avoid unnecessary repetition, the present invention will not further describe various possible combinations.

Claims

1. An X-ray diffractometer simulation device, characterized in that: It includes a base, a light source, a sample simulator and a light receiving device; Wherein, a plurality of reflectors are arranged on the outer wall of the sample simulator, and the reflectors are arranged in one-to-one correspondence with the crystal planes where the sample simulator diffracts, the sample simulator is rotatably connected to the base via a rotating shaft, the light source and the light receiving device and the rotating shaft are arranged on the same plane, and the sample simulator is located in the middle of the light source and the light receiving device, the light source and the light receiving device can rotate around the sample simulator with the same preset radius, and the direction of the light source is opposite to that of the light receiving device, the light beam emitted by the light source can be used to irradiate the reflector, so that the light beam is reflected by the reflector to the light receiving device, and the light receiving device is used to display the intensity information of the reflected light of the reflector; The reflectivity of the reflector is positively correlated with the light intensity of the diffraction phenomenon occurring at the crystal plane of the sample simulator corresponding to the reflector; It also includes a controller and a synchronization device. The controller is electrically connected to the synchronization device and is used to control the action of the synchronization device. The synchronization device is used to drive the sample simulator, the light source and the light receiving device to rotate at the same angle.

2. The X-ray diffractometer simulation device according to claim 1, characterized in that: The light receiving device is a light intensity recorder or a plane mirror.

3. The ray diffractometer simulation device according to claim 2, characterized in that: The plurality of reflectors are respectively provided with marks, and the marks of each reflector are different.

4. The X-ray diffractometer simulation device according to claim 1, characterized in that: The synchronization device includes a first driving mechanism connected to the sample simulator, a second driving mechanism connected to the light source, and a third driving mechanism connected to the light receiving device. The first driving mechanism, the second driving mechanism, and the third driving mechanism are respectively used to drive the sample simulator, the light source, and the light receiving device to rotate at the same angle.

5. The X-ray diffractometer simulation device according to claim 1, characterized in that: It also includes a controller and a display, the display is electrically connected to the controller, the controller is electrically connected to the light receiving device, the controller is used to receive intensity information of the light receiving device and send it to the display, and the display is used to display the simulated diffraction pattern corresponding to the sample simulator.

6. The X-ray diffractometer simulation device according to claim 1, characterized in that: It also includes a calibration mirror, which is arranged on the outer wall of the sample simulator and is spaced apart from the reflecting mirror. When the calibration mirror rotates to be parallel to the horizontal plane under the action of the sample simulator, the calibration mirror, the light source and the light receiving device are in a collinear line.

7. The X-ray diffractometer simulation device according to claim 1, characterized in that: There is a gap between two adjacent reflecting mirrors.

8. A method for using an X-ray diffractometer simulation device, characterized in that: The method of use is applied to the X-ray diffractometer simulation device according to any one of claims 1 to 7, and the method of use comprises: Rotate the light source, the light receiving device and the sample simulator at the same preset angles respectively, so that the light beam emitted by the light source is irradiated onto the reflector of the sample simulator and reflected onto the light receiving device, wherein the incident angle of the light beam is equal to the reflection angle reflected onto the light receiving device and equal to the Bragg angle at which the reflector is located; The preset angle is adjusted according to the Bragg angle at which the reflector is located, so as to obtain the light intensity of the diffraction phenomenon occurring at the crystal planes corresponding to different reflectors, and obtain the simulated diffraction pattern corresponding to the sample simulator.

Images