CN112037626A - X-ray diffractometer simulation device and using method thereof - Google Patents
X-ray diffractometer simulation device and using method thereof Download PDFInfo
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Abstract
An X-ray diffractometer simulation device and a using method thereof relate to the technical field of material science characterization method demonstration instruments. The X-ray diffractometer simulation device comprises 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, the reflectors correspond to the diffraction crystal faces of the sample simulator one by one, the sample simulator is rotatably connected with the base through a rotating shaft, the light source, the light receiving device and the rotating shaft are arranged on the same plane, 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 in opposite directions or opposite directions with the same preset radius, light beams emitted by the light source can be used for irradiating the reflectors, so that the light beams are reflected to the light receiving device through the reflectors, and the light receiving device is used for displaying intensity information of reflected light. The X-ray diffractometer simulation device is beneficial to teachers and students to learn the method of the X-ray diffraction technology and the principle of the powder diffractometer through abstract and profound theories.
Description
Technical Field
The invention relates to the technical field of material science characterization method demonstration instruments, in particular to an X-ray diffractometer simulation device and a using method thereof.
Background
X-ray diffraction analysis (XRD) is an important technique for analyzing the phase of solid crystalline materials. The diffraction data generated by each crystal can reflect the arrangement rule of atoms in the crystal. Thus, the X-ray diffraction pattern is also considered to be a "fingerprint" of a particular crystalline material. It is possible to obtain various useful information such as the crystal structure, composition, stress, orientation, crystallinity, and the like of a substance constituting a test sample from the angle, intensity, width, and the like of the diffraction peak of X-rays irradiated to the test sample. X-ray diffraction analysis techniques have been used in various fields as an important test method and structural analysis means.
The diffraction of X-ray diffraction on crystal planes firstly meets Bragg diffraction conditions, and simultaneously, the occurrence of diffraction peaks also needs to meet the condition that the structural factor is not equal to zero according to a kinematic theory, so that only some crystal planes which meet the Bragg conditions and meet the kinematic conditions can generate diffraction. Therefore, there are only a few diffraction peaks with different intensities on the spectrum of XRD. In daily teaching and training, when teachers explain the principle of X-ray diffraction analysis and the principle of diffractometers, students are difficult to obtain intuitive understanding due to a complex and profound theory. Therefore, a simple and practical demonstration instrument is needed to assist teaching work, so that students can be helped to learn the X-ray diffraction principle and the diffractometer principle, and the teaching pressure is reduced.
Disclosure of Invention
The invention aims to provide an X-ray diffractometer simulation device and a using method thereof, which can help students to learn the X-ray diffraction technology and the diffractometer principle conveniently, so that the teaching pressure is reduced.
The embodiment of the invention is realized by the following steps:
in one aspect of the present invention, an X-ray diffractometer simulation apparatus is provided, which 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, the reflectors and the crystal faces diffracted by the sample simulator are arranged in a one-to-one correspondence mode, the sample simulator is connected with the base in a rotating mode through a rotating shaft, the light source, the light receiving device and the rotating shaft are arranged on the same plane, the sample simulator is located at the middle position of the light source and the light receiving device, the light source and the light receiving device can surround the sample simulator to rotate with the same preset radius, the turning direction of the light source is opposite to that of the light receiving device, light beams emitted by the light source can be used for irradiating the reflectors, so that the light beams are reflected to the light receiving device through the reflectors, and the light receiving device is used for displaying intensity information of reflected light of the reflectors. This X-ray diffractometer analogue means can be convenient for help the student to learn X-ray diffraction and diffractometer principle to reduce the teaching pressure.
Optionally, a plurality of the reflectors are respectively provided with a mark, and the marks of each of the reflectors are different.
Optionally, the reflectivity of the mirror is in positive correlation with the light intensity of the diffraction phenomenon occurring at the crystal plane of the sample simulator corresponding to the mirror.
Optionally, the X-ray diffractometer simulation apparatus further comprises a controller and a synchronization device, the controller is electrically connected with the synchronization device and is used for controlling the synchronization device to act, and the synchronization device is used for driving the sample simulator, the light source and the light receiving device to rotate at the same angle.
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, and the first driving mechanism, the second driving mechanism, and the third driving mechanism are respectively configured to correspondingly drive the sample simulator, the light source, and the light receiving device to rotate at the same angle.
Optionally, the X-ray diffractometer simulation apparatus further includes a display, the display is electrically connected to the controller, the controller is electrically connected to the light receiving device, the controller is configured to receive intensity information of the light receiving device and send the intensity information to the display, and the display is configured to display a simulated diffraction pattern corresponding to the sample simulator.
Optionally, this X-ray diffractometer analogue means still includes the calibration mirror, the calibration mirror locate on the outer wall of sample simulator, and with the speculum is the interval setting, works as the calibration mirror is in when sample simulator's effect is down rotated to be parallel with the horizontal plane, the calibration mirror, the light source and light receiving arrangement collineation.
Optionally, the light receiving device is a flat mirror.
Optionally, there is a gap between two adjacent mirrors.
In another aspect of the present invention, there is provided a method of using an X-ray diffractometer simulation apparatus, the method comprising: respectively rotating the light source, the light receiving device and the sample simulator by the same preset angle so as to enable the light beam emitted by the light source to irradiate the reflector of the sample simulator and be 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 equal to the Bragg angle of the reflector; and adjusting the preset angle according to the Bragg angle of the reflector to obtain the light intensity of the diffraction phenomenon at the crystal face corresponding to different reflectors and obtain the simulated diffraction pattern corresponding to the sample simulator. The application method of the X-ray diffractometer simulation device can help students to learn the principles of X-ray diffractometry and diffractometers, so that the teaching pressure is reduced.
The beneficial effects of the invention include:
the X-ray diffractometer simulation device comprises 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, the reflectors and the crystal faces diffracted by the sample simulator are arranged in a one-to-one correspondence mode, the sample simulator is connected with the base in a rotating mode through a rotating shaft, the light source, the light receiving device and the rotating shaft are arranged on the same plane, the sample simulator is located at the middle position of the light source and the light receiving device, the light source and the light receiving device can surround the sample simulator to rotate with the same preset radius, the turning direction of the light source is opposite to that of the light receiving device, light beams emitted by the light source can be used for irradiating the reflectors, so that the light beams are reflected to the light receiving device through the reflectors, and the light receiving device is used for displaying intensity information of reflected light of the reflectors. Therefore, in order to explain the X-ray diffraction phenomenon and the conditions required by the X-ray diffraction phenomenon more intuitively and teach the working principle of the student X-ray diffractometer, the sample simulator, the light source and the light receiving device can be adjusted to rotate the three to the same angle, so that the light beam irradiates the reflector at the horizontal position of the sample simulator and the reflection angles of the reflected light reflected to the light receiving device are equal. And the sample simulator mirror also rotates from the horizontal position exactly. According to the law of reflection of light, if the reflection condition of the light is satisfied and an intensity signal is reflected at the light receiving device, the Bragg condition of X-ray diffraction is satisfied, and the Bragg angle corresponding to the reflector at the horizontal position is not subjected to system extinction and can be subjected to diffraction; otherwise, the angle corresponding to the reflecting mirror at the horizontal position does not meet the bragg condition, or the system extinction occurs although the bragg condition is met, and diffraction cannot occur. Thereby helping students to learn the conditions required to be met when the X-ray diffraction occurs and the working principle of the X-ray diffractometer. The utility model provides an X-ray diffractometer analogue means compares in commercial X-ray diffractometer among the prior art, its simple structure, with low costs, be convenient for observe, and easily carry, be applicable to the teaching work more, can make the student learn understanding the theory of operation of X-ray diffractometer and the condition when satisfying X-ray diffraction through X-ray diffractometer analogue means more audio-visual mode.
Drawings
In order to more clearly illustrate the technical solutions of the embodiments of the present invention, the drawings needed to be used in the embodiments will be briefly described below, it should be understood that the following drawings only illustrate some embodiments of the present invention and therefore should not be considered as limiting the scope, and for those skilled in the art, other related drawings can be obtained according to the drawings without inventive efforts.
Fig. 1 is a schematic structural diagram of an X-ray diffractometer simulation apparatus according to an embodiment of the present invention;
FIG. 2 is a schematic diagram of an installation of a sample simulator, a reflector and a calibration mirror according to an embodiment of the present invention;
fig. 3 is a schematic structural diagram of a simulation apparatus of an X-ray diffractometer according to an embodiment of the present invention;
FIG. 4 is a diagram illustrating Bragg diffraction conditions according to an embodiment of the present invention;
fig. 5 is a third schematic structural diagram of an X-ray diffractometer simulation apparatus according to an embodiment of the present invention;
FIG. 6 is a fourth schematic structural diagram of an X-ray diffractometer simulation apparatus according to an embodiment of the present invention;
fig. 7 is a flowchart of a method for using the X-ray diffractometer simulation apparatus according to the embodiment of the present invention.
Icon: 10-a rotating arm; 20-a light source; 30-a sample simulator; 31-a rotating shaft; 40-a light receiving device; 50-a mirror; 51-gap; 52-a scaffold; 60-a controller; 70-a synchronization device; 71-a first drive mechanism; 72-a second drive mechanism; 73-a third drive mechanism; 80-a display; 90-a collimating mirror; 111-first crystal plane; 220-second crystal plane; 400-third crystal plane.
Detailed Description
In order to make the objects, 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 with reference to the drawings in the embodiments of the present invention, and it is obvious that the described embodiments are some, but not all, embodiments of the present invention. The components of embodiments of the present invention generally described and illustrated in the figures herein may be arranged and designed in a wide variety of different configurations.
Thus, the following detailed description of the embodiments of the present invention, presented in the figures, is not intended to limit the scope of the invention, as claimed, but is merely representative of selected embodiments of the invention. All other embodiments, which can be derived by a person skilled in the art from the embodiments given herein without making any creative effort, shall fall within the protection scope of the present invention.
It should be noted that: like reference numbers and letters refer to like items in the following figures, and thus, once an item is defined in one figure, it need not be further defined and explained in subsequent figures.
In the description of the present invention, it should be noted that the terms "center", "upper", "lower", "left", "right", "vertical", "horizontal", "inner", "outer", etc. indicate orientations or positional relationships based on the orientations or positional relationships shown in the drawings or the orientations or positional relationships that the products of the present invention are conventionally placed in use, and are only used for convenience in describing the present invention and simplifying the description, but do not indicate or imply that the devices or elements referred to must have a specific orientation, be constructed and operated in a specific orientation, and thus, should not be construed as limiting the present invention. Furthermore, the terms "first," "second," "third," and the like are used solely to distinguish one from another and are not to be construed as indicating or implying relative importance.
Furthermore, the terms "horizontal", "vertical" and the like do not imply that the components are required to be absolutely horizontal or pendant, but rather may be slightly inclined. For example, "horizontal" merely means that the direction is more horizontal than "vertical" and does not mean that the structure must be perfectly horizontal, but may be slightly inclined.
In the description of the present invention, it should also be noted that, unless otherwise explicitly specified or limited, the terms "disposed," "mounted," "connected," and "connected" are to be construed broadly and may, for example, be fixedly connected, detachably connected, or integrally connected; can be mechanically or electrically connected; they may be connected directly or indirectly through intervening media, or they may be interconnected between two elements. The specific meanings of the above terms in the present invention can be understood in specific cases to those skilled in the art.
X-ray diffractometers are one of the basic tools used in modern crystallography research. When X-rays are incident on a crystal, since the crystal is composed of unit cells in which atoms are regularly arranged, the distance between the regularly arranged atoms is in the same order of magnitude as the wavelength of the incident X-rays, and thus X-rays scattered from different atomic planes interfere with each other, resulting in strong X-ray diffraction in some particular directions. The orientation and intensity of the spatial distribution of the diffraction lines 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, the information such as the composition, the crystal structure and the like of the material can be obtained. Because the X-ray diffraction technique is comparatively complicated relatively, for the convenience of teaching for the student masters this technique as early as possible, this application proposes a X-ray diffractometer analogue means who is exclusively used in the teaching especially, aims at can being convenient for help the student to learn the X-ray diffraction principle, thereby reduces teaching pressure. The principle of the X-ray diffractometer is equivalent to that of an X-ray diffractometer, but the X-ray diffractometer is simple in structure, low in cost and beneficial to observation and learning, and is a good teaching aid.
Referring to fig. 1 and fig. 2, the X-ray diffractometer simulation apparatus provided in this embodiment mainly includes a base, a light source 20, a sample simulator 30, and a light receiving device 40. The outer wall of the sample simulator 30 is provided with a plurality of reflectors 50, the reflectors 50 are arranged in one-to-one correspondence with the diffraction crystal planes of the sample simulator 30, the sample simulator 30 is rotatably connected with the base through a rotating shaft 31, the light source 20, the light receiving device 40 and the rotating shaft 31 are arranged on the same plane, 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, the rotation 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 for irradiating the reflectors 50, so that the light beam is reflected to the light receiving device 40 through the reflectors 50, and the light receiving device 40 is used for displaying intensity information of the reflected light of the reflectors 50. This X-ray diffractometer analogue means can be convenient for help the student to learn X-ray diffraction and diffractometer principle to reduce the teaching pressure.
It should be noted that, in the present embodiment, the light source 20 and the light receiving device 40 are respectively connected to the corresponding rotating arms 10, and are rotated around the sample simulator 30 by the respective rotating arms 10. Illustratively, the trajectories of the movements of the two swivel arms 10 are both semicircular. In addition, the two rotating arms 10 can also respectively support the light source 20 and the light receiving device 40 in addition to the rotating action (in the present embodiment, the light source 20 and the light receiving device 40 can be respectively disposed at the top ends of the two rotating arms 10, and the normal lines of the light source 20 and the light receiving device 40 intersect at the center of the locus circle).
Wherein the rotating arm 10 can be used to support the light source 20, so that the light source 20 can rotate around the sample simulator 30 with the rotating arm 10 as a base (precisely, the rotation should be performed around a section of the upper end of the sample simulator 30 parallel to the horizontal plane, as shown in fig. 1, the same below); and/or supports the light receiving device 40 such that the light receiving device 40 rotates about the mirror 50 of the sample simulator 30 parallel to the horizontal plane with the rotation arm 10 as a base.
It should be noted that the end of the arm 10 of the present application near the sample simulator may be hinged to the base. The two rotating arms 10 are mainly used for driving the light source 20 and the light receiving device 40 to rotate in opposite directions or back to back at a constant speed and at the same time. It will be appreciated that the presence of the rotatable arm 10 should not block the normally emitted light beam of the light source 20 and affect the normal reflection of the light beam on the mirror 50 and the normally received reflected light of the light receiving means 40, i.e. the presence of the rotatable arm 10 should not affect the normal transmission of the light beam. In particular, the skilled person can choose a suitable solution at his discretion, for example without limitation, using a hollow rotating arm 10, how the rotating arm 10 does not affect the normal transmission process of the light beam.
Besides, the present application may further include a telescopic mechanism (e.g., a linear motor or a telescopic arm, etc.) and two links respectively connected to the telescopic mechanism, wherein one link is used for connecting the rotating arm 10 connected to the light source 20, and the other link is used for connecting 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 perform the telescopic movement toward the sample simulator 30 by driving the telescopic mechanism, thereby pulling the two rotating arms 10 to simultaneously perform the opposite movement or the opposite movement. It should be understood that the above-mentioned implementation of simultaneous rotation of the rotating arms 10 in the same direction or in opposite directions is only an example of the present application, and in other embodiments, those skilled in the art can select other implementations according to actual situations.
For example, referring to fig. 3, the light source 20 and the light receiving device 40 are intersected by the normal line of the light source 20 and the light receiving device 40 at the center of the trajectory circle, mainly for guiding the light source 20 and the light receiving device 40 to rotate around the sample simulator 30.
In this embodiment, optionally, the rotation manner of the light source 20 and the light receiving device 40 of the present application may be, in addition to the rotation driven by the rotating arm 10 as set forth above, a sliding track manner, that is, sliding tracks are arranged on the movement tracks (i.e., the track circles) of the light source 20 and the light receiving device 40, the light source 20 is provided with a first sliding track, and the light receiving device 40 is provided with a second sliding track, and the first sliding track and the second sliding track are respectively adapted to the sliding tracks, so that the light source 20 and the light receiving device 40 can rotate around the sample simulator 30. It will be appreciated that the arrangement of the above-described runners and rails should not affect the light path.
In the present embodiment, the light source 20 is configured to emit a light beam so that the light beam is irradiated on the reflecting mirror 50 provided on the sample simulator 30. The mirror 50 may be attached to the outer periphery of the sample simulator 30, or may be fixed to the outer periphery of the sample simulator 30 by a bracket 52.
In addition, in the present embodiment, in order to prevent the problem of the resolution of the simulated X-ray diffraction intensity and angle correspondence distribution from being reduced due to the diffusion of the light beam emitted from the light source 20, in the present embodiment, a collimating optical element for parallel light beams may be optionally added to the light exit end of the light source 20.
It should be understood that the sample simulator 30 mentioned in the present embodiment is mainly used for simulating a crystal, and the reflectors 50 are provided on the peripheral wall of the sample simulator 30 in order to simulate the crystal planes of the crystal, i.e. one reflector 50 correspondingly represents one crystal plane capable of generating a diffraction peak. It should be understood that the mirrors of the mirror 50 described above should be facing away from the sample simulator 30 so that the light beam emitted by the light source 20 can impinge on the mirrors of the mirror 50.
The mirror 50 of the present application corresponds to the diffracting crystal plane of the crystal simulated by the sample simulator 30, and at which diffraction angle the diffracting crystal plane of the crystal is located, the corresponding mirror 50 is located at which angle of the sample simulator 30. Of course, when the number of diffraction peaks of the crystal to be demonstrated is large, the mirror 50 may be selectively attached to the corresponding crystal plane to be demonstrated, which may generate the diffraction peaks. The skilled person can determine the situation as long as the crystal plane diffracted by the crystal simulated by the sample simulator 30 corresponds to the angle of the mirror on the sample simulator 30. Specifically, the position of the diffracted crystal plane relative to the crystal can be defined as the bragg angle, and the position of the mirror 50 relative to the sample simulator 30 can be determined more according to the bragg angle.
For example, taking silicon as an example, the silicon may have diffraction peaks at bragg angles of 14.2 °, 23.6 ° and 34.6 °, and the diffraction peaks may correspond to the first crystal plane 111, the second crystal plane 220 and the third crystal plane 400 (the weaker diffraction case is not indicated when the bragg angle is 28.06 °). At this time, correspondingly, when studying the X-ray diffraction and diffractometer principle for students or other learners, please refer to fig. 2, the reflecting mirror 50 of the present application can be attached to the positions corresponding to 14.2 °, 23.6 °, 28.06 ° (not shown) and 34.6 °. It should be understood that the position of the mirror 50 shown in fig. 2 is only an example, and when the X-ray diffraction principle is demonstrated for other crystals, the mirror 50 is correspondingly disposed according to the bragg angle at which the corresponding crystal can diffract.
In addition, since the mirrors 50 generally have a certain width (see fig. 2, the width direction is collinear with the tangent of the peripheral wall of the sample simulator 30), and they have a certain reflection angle, in order to prevent the plane where no diffraction occurs from being too wide to result in a low resolution of the resulting simulated diffraction pattern (i.e. the angle where no diffraction occurs still has an intensity signal) during the simulation demonstration, optionally, in this embodiment, the mirrors 50 should be relatively narrow, i.e. there should be a gap 51 between two adjacent mirrors 50.
In the present embodiment, the light receiving device 40 is used for detecting the light intensity signal, that is, when the light source 20 rotates by θ °, the sample simulator 30 rotates by θ °, and the light receiving device 40 also rotates by θ ° (note that θ ° here is an angle corresponding to the bragg angle), at this time, the incident angle is equal to the reflection angle and equal to the bragg angle, the bragg equation can be satisfied, and then diffraction may occur.
It should be understood, referring to fig. 4, that if two columns of coherent X-rays have an incident angle equal to the reflection angle and an optical path difference (2dsin θ) equal to an integer multiple of the wavelength (n λ), constructive interference may occur, which is the bragg equation (see formula (r)), or referred to as the bragg condition:
2d sinθ＝nλ ①
in the formula, d is the interplanar spacing, theta is the Bragg angle, n is the number of diffraction orders and is an integer, and lambda is the wavelength. It can be known from the above formula that the bragg condition needs to satisfy that the incident angle is equal to the reflection angle and equal to the bragg angle, and certainly, according to the kinematics theory, the occurrence of the diffraction peak also needs to satisfy that the structural factor is not equal to zero. There are limited diffraction peaks on the XRD spectrum and the higher the symmetry of the crystal structure, the fewer the diffraction peaks because many facets appear to be systematically extinguished because the structure factor is equal to zero. The light source 20, the sample simulator 30 and the light receiving device 40 are rotated synchronously, so that the angles of the light source 20, the sample simulator 30 and the light receiving device 40 are the same, and the bragg condition is satisfied, that is, 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 be in the zero degree position before being rotated, so that the light source 20, the sample simulator 30 and the light receiving device 40 can be rotated synchronously to accurately demonstrate the X-ray diffraction phenomenon, so that students can learn the conditions to be satisfied when the diffraction phenomenon occurs and the working principle of the X-ray diffractometer.
Alternatively, in this embodiment, the light receiving device 40 may be a dedicated device for recording the light intensity (i.e., a light intensity recorder), or may be replaced with a simplified plate of flat mirrors. The light intensity recorder may be, for example, a luminance meter or a light meter. In practical use, a flat mirror may be preferred in order to simplify the equipment or reduce the cost, so that a student can know whether the diffraction phenomenon occurs or not by observing the light spot on the flat mirror.
It should be noted that the X-ray diffractometer simulation apparatus provided by the present application aims to help students to recognize 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 apparatus of the present application can exhibit the corresponding light intensity signal; and when the condition that needs satisfy when not satisfying the X-ray diffraction phenomenon, the intensity detector of the X-ray diffractometer analogue means of this application will not demonstrate corresponding light intensity signal can. The understanding and the knowledge of students about the working principle of the X-ray diffractometer and the conditions required to be met by X-ray diffraction are deepened through the demonstration.
That is to say, the X-ray diffractometer simulation apparatus of the present application only needs to show that when the mirror 50 of the sample simulator 30 rotates to the horizontal position (based on the orientation shown in fig. 1), the rotation angles of the corresponding light source 20 and 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 mirror 50 at the horizontal position, when the bragg angle can be diffracted (i.e., no system extinction occurs), the light source 20 emits a light beam, which can irradiate onto the mirror 50 on the sample simulator 30 (i.e., the mirror 50 at the horizontal position) and can be reflected to the light receiving device 40, and further an intensity signal can be reflected on the light receiving device 40, which indicates that the bragg angle at which the mirror 50 is located can be diffracted; when the demonstration does not satisfy the bragg condition or satisfies the bragg condition but the system extinction occurs, the light source 20 emits a light beam which can irradiate onto the sample simulator 30, but at this time, the sample simulator 30 has no crystal face, and no reflection is performed to the light receiving device 40, and further, an intensity signal cannot be reflected on the light receiving device 40, which indicates that the reflector 50 does not satisfy the bragg condition or that the structural factor is equal to zero, and diffraction cannot occur.
Referring to fig. 3, in order to facilitate the light beam emitted from the light source 20 to irradiate the sample simulator 30 and reflect to the light receiving device 40, the light source 20, the light receiving device 40 and the rotation shaft 31 of the sample simulator 30 are located on the same plane, and the light source 20 and the light receiving device 40 can rotate around the sample simulator 30 by the same predetermined radius (i.e. the same rotation angle). Since the X-ray diffractometer simulation apparatus of the present application simulates an X-ray diffractometer, which is similar to the basic principle of the X-ray diffractometer, the present application will not be described in detail with respect to the relative positions of the light source 20 and the light receiving device 40 and the preset radius. In addition, it should be understood that the working principle similar to that of the X-ray diffractometer is adopted in the present application, namely, the purpose of enabling students to learn the working principle of the X-ray diffractometer and meet the conditions of X-ray diffraction in a simple and more intuitive way is to provide the students with the working principle. Compared with a commercial X-ray diffractometer in the prior art, the simulation device has the advantages of no radiation risk, simple and easy structure, low cost, more visual observation, more suitability for teaching work, correspondingly, the commercial X-ray diffractometer in the prior art is only suitable for research and detection work of a crystal structure, invisible X-ray and unobvious deep principle.
Because the commonly used measurement setting of the existing X-ray diffractometer is mostly theta-theta (namely, the corresponding detector rotates theta angle when the X-ray light pipe rotates theta angle), in order to simulate a real X-ray diffractometer, the application also adopts the setting aiming at the theta-theta. In addition, there are various slits and monochromators in practical diffractometers to improve more optimal test results, but these are not essential problems for diffraction and the present solution does not involve these details. Of course, in other embodiments, these can be added when making the model, such as simulating a slit with a slit and a mirror simulating a monochromator. Since X-rays also belong to photons, simulation and interpretation are also very easy using optical knowledge.
In summary, the X-ray diffractometer simulation apparatus 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. The outer wall of the sample simulator 30 is provided with a plurality of reflectors 50, the reflectors 50 are arranged in one-to-one correspondence with the diffraction crystal planes of the sample simulator 30, the sample simulator 30 is rotatably connected with the base through a rotating shaft 31, the light source 20, the light receiving device 40 and the rotating shaft 31 are arranged on the same plane, 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, the rotation 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 for irradiating the reflectors 50, so that the light beam is reflected to the light receiving device 40 through the reflectors 50, and the light receiving device 40 is used for displaying intensity information of the reflected light of the reflectors 50. Thus, in order to explain the X-ray diffraction phenomenon and the conditions required to be satisfied to students more intuitively during teaching work and to teach the working principle of the student X-ray diffractometer, the sample simulator 30, the light source 20 and the light receiving device 40 can be adjusted to rotate to the same angle, thereby ensuring that the incident angle of the light beam emitted from the light source 20 is equal to the reflection angle of the reflected light that is irradiated to the mirror 50 at the horizontal position of the sample simulator 30 and reflected to the light receiving device 40, and is equal to the bragg angle at which mirror 50 is in a horizontal position with respect to sample simulator 30, it is indicated that the bragg condition has been satisfied, and at this time, if an intensity signal is present at the light-receiving device 40, and it is indicated that the bragg angle corresponding to the reflector 50 at the horizontal position has no system extinction and can be diffracted; otherwise, if the reflecting mirror 50 does not exist or the reflectivity is 0, it indicates that the horizontal position does not satisfy the bragg condition or the bragg angle corresponding to the reflecting mirror 50 has system extinction and cannot generate diffraction, thereby helping students learn the conditions to be satisfied when the X-ray diffraction occurs and the working principle of the X-ray diffractometer. The utility model provides an X-ray diffractometer analogue means compares in commercial X-ray diffractometer among the prior art, its simple structure, with low costs, be convenient for observe, and easily carry, be applicable to the teaching work more, can make the student learn understanding the theory of operation of X-ray diffractometer and the condition when satisfying X-ray diffraction through X-ray diffractometer analogue means more audio-visual mode.
In order to enable the student to observe the intensity situation corresponding to the diffraction phenomenon occurring at different bragg angles, optionally, the reflectivity of the mirror 50 is in positive correlation with the light intensity of the diffraction phenomenon occurring at the crystal plane of the sample simulator 30 corresponding to the mirror 50. Mirrors with different reflectivities may be selected to exhibit this difference in intensity. In short, the present application can assign a reflectivity to the mirror 50 disposed on the corresponding crystal plane in a rough proportion (i.e. the reflectivity should be in a positive correlation with the diffraction intensity, so as to facilitate demonstration, but not be too precise) according to the diffraction intensity of the crystal when the corresponding crystal plane diffracts, so that 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 in combination, since the intensity corresponding to the first crystal plane 111 is higher, the second crystal plane 220 times lower, and the third crystal plane 400 is again lower, for this situation, please refer to fig. 2 in combination, the mirror 50 corresponding to the first crystal plane 111 should be a mirror with higher reflectivity, the mirror 50 corresponding to the second crystal plane 220 should be a mirror with reflectivity lower than the reflectivity of the mirror 50 corresponding to the first crystal plane 111, and the mirror 50 corresponding to the third crystal plane 400 should be a mirror with reflectivity lower than the reflectivity of the mirror 50 corresponding to the second crystal plane 220. Thus, when the students observe the diffraction intensities corresponding to the first crystal plane 111, the second crystal plane 220, and the third crystal plane 400, the students can visually observe the relationship between the corresponding bragg angles and the intensities through the light receiving device 40.
Table 1:
| 2θ | interplanar spacing | Strength of | 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 |
Referring to fig. 5 and fig. 6, in order to facilitate the synchronous rotation of the light source 20, the sample simulator 30 and the light receiving device 40, optionally, the X-ray diffractometer simulation apparatus further includes a controller 60 and a synchronization device 70, the controller 60 is electrically connected to the synchronization device 70 for controlling the synchronization device 70 to operate, and the synchronization device 70 is used for driving the sample simulator 30, the light source 20 and the light receiving device 40 to rotate at the same angle. For example, the synchronizing means 70 may be implemented by a multi-stage gear or the like.
In addition, optionally, in this embodiment, the synchronization device 70 may further 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, where the first driving mechanism 71, the second driving mechanism 72, and the third driving mechanism 73 are respectively configured to correspondingly drive the sample simulator 30, the light source 20, and the light receiving device 40 to rotate at the same angle. Thus, the sample simulator 30, the light source 20, and the light receiving device 40 can be driven to rotate independently. Specifically, which setting mode is adopted can be determined by those skilled in the art according to actual situations, and the application is not limited.
Optionally, the X-ray diffractometer simulation apparatus 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 configured to receive intensity information of the light receiving device 40 and send the intensity information to the display 80, and the display 80 is configured to display a simulated diffraction pattern corresponding to the sample simulator 30. Like this, the light intensity signal that light receiving device 40 detected can be sent to controller 60, and controller 60 is according to the light intensity signal, and then with light intensity signal and the bragg angle one-to-one that corresponds of correspondence through analysis processes to obtain simulation X ray diffraction map in order to show to display 80 on, thereby be convenient for the student to know the study X ray diffraction map through observing display 80.
Optionally, in order to make the demonstration effect of the X-ray diffractometer simulation apparatus provided by the present application better, in this embodiment, the X-ray diffractometer simulation apparatus further includes a calibration mirror 90, and the calibration mirror 90 is disposed on the outer wall of the sample simulator 30 and is collinear with the light source 20 and the light receiving device 40. Thus, 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.
For convenience of illustration, optionally, in the present embodiment, the plurality of mirrors 50 are respectively provided with a mark, and the marks of each mirror are different. Thus, when performing the display, which crystal plane is displayed can be identified by the mark on the corresponding mirror 50. Illustratively, the indicia may be color markings (e.g., each mirror is given a different color).
Referring to fig. 7, in another aspect of the present invention, a method for using an X-ray diffractometer simulation apparatus is provided, which includes the following steps:
s100, rotating the light source 20, the light receiving device 40 and the sample simulator 30 by the same preset angle, respectively, so that the light beam emitted from the light source 20 irradiates on the reflector 50 of the sample simulator 30 and is 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.
Here, the same preset angle means that the angles to which the light source 20, the light receiving device 40, and the sample simulator 30 are rotated are the same. Here, the initial positions of the light source 20, the light receiving device 40, and the sample simulator 30 are also the same, that is, zero positions. Of course, in actual operation, the light source 20, the light receiving device 40 and the sample simulator 30 may also rotate at a constant speed from a certain angle, for example, θ may be 5 ° or 10 ° with respect to the orientation shown in fig. 1.
In addition, the sample simulator 30, the light source 20, and the light receiving device 40 may be individually driven by the first driving mechanism 71, the second driving mechanism 72, and the third driving mechanism 73 in a one-to-one correspondence, or may be synchronously driven by the synchronizer 70, which is not limited in the present application.
S200, adjusting a preset angle according to the Bragg angle of the reflector 50 to obtain the light intensity of the diffraction phenomenon at the crystal face corresponding to different reflectors 50 and obtain the simulated diffraction pattern corresponding to the sample simulator 30.
By rotating the sample simulator 30, the light source 20 and the light receiving device 40, the other reflectors 50 corresponding to the diffracting crystal planes on the sample simulator 30 are rotated to the horizontal position, and the light beam emitted by the light source 20 is irradiated to the reflectors 50 to be reflected to the light receiving device 40. With the same-angle rotation of the sample simulator 30, the light source 20 and the light receiving device 40, the diffraction conditions that can occur in the reflector where the reflector 50 corresponding to each bragg angle is located can be demonstrated one by one, so that students can know the diffraction conditions by observing the light receiving device 40.
It should be understood that the components may be rotated at a constant speed by rotating at a predetermined angle respectively until the reflection condition is satisfied, or the components may be directly rotated until the reflection condition is satisfied.
It should be understood that the above-mentioned light intensity for obtaining the diffraction phenomenon occurring at the crystal planes corresponding to the different mirrors 50 may be an indication of whether or not the diffraction phenomenon occurs (that is, no diffraction phenomenon occurs when no light is observed, and a diffraction phenomenon occurs when the light intensity is observed to be different from 0, which corresponds to the case where the light receiving device 40 is a plane mirror); it may be an intensity value of light intensity (in this case, the light receiving device 40 is an optical device capable of detecting light intensity, it should be understood that, when there is the display 80, the light receiving device 40 correspondingly used should be an optical device capable of detecting light intensity, and the mirrors 50 corresponding to different crystal planes should also correspondingly have reflectivity matched with the intensity when diffraction occurs, so that students can intuitively know the intensity when diffraction occurs corresponding to the corresponding bragg angle through the light receiving device 40.
The simulated diffraction pattern corresponding to the sample simulator 30 obtained as described above may be a simple simulated diffraction pattern manually drawn by an operator observing the light receiving device 40, or a simulated diffraction pattern analyzed by the controller 60 and displayed on the display 80.
The above description is only an alternative embodiment of the present invention and is not intended to limit the present invention, and various modifications and variations of the present invention may occur to those skilled in the art. Any modification, equivalent replacement, or improvement made within the spirit and principle of the present invention should be included in the protection scope of the present invention.
It should be noted that the various technical features described in the above embodiments can be combined in any suitable manner without contradiction, and the invention is not described in any way for the possible combinations in order to avoid unnecessary repetition.
Claims (10)
1. An X-ray diffractometer simulation device is characterized by comprising 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, the reflectors and the crystal faces diffracted by the sample simulator are arranged in a one-to-one correspondence mode, the sample simulator is connected with the base in a rotating mode through a rotating shaft, the light source, the light receiving device and the rotating shaft are arranged on the same plane, the sample simulator is located at the middle position of the light source and the light receiving device, the light source and the light receiving device can surround the sample simulator to rotate with the same preset radius, the turning direction of the light source is opposite to that of the light receiving device, light beams emitted by the light source can be used for irradiating the reflectors, so that the light beams are reflected to the light receiving device through the reflectors, and the light receiving device is used for displaying intensity information of reflected light of the reflectors.
2. The simulator of claim 1, wherein the light receiving device is a light intensity recorder or a flat mirror.
3. The diffractometer simulator of claim 2, wherein a plurality of the mirrors are provided with marks respectively, and the marks of each of the mirrors are different.
4. The simulator of claim 1, wherein the reflectivity of the mirror is positively correlated to the light intensity of the diffraction phenomenon occurring at the crystal plane of the sample simulator corresponding to the mirror.
5. The X-ray diffractometer simulation device according to claim 1, further comprising a controller and a synchronization device, wherein the controller is electrically connected to the synchronization device for controlling the synchronization device to operate, and the synchronization device is used for driving the sample simulator, the light source and the light receiving device to rotate at the same angle.
6. The simulator of claim 5, wherein the synchronization device comprises 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, and the first driving mechanism, the second driving mechanism, and the third driving mechanism are respectively configured to correspondingly drive the sample simulator, the light source, and the light receiving device to rotate at the same angle.
7. The simulator of claim 4, further comprising a controller and a display, wherein the display is electrically connected to the controller, the controller is electrically connected to the light receiving device, the controller is configured to receive intensity information of the light receiving device and send the intensity information to the display, and the display is configured to display a simulated diffraction pattern corresponding to the sample simulator.
8. The X-ray diffractometer simulation device according to claim 1, further comprising a collimating mirror disposed on an outer wall of the sample simulator and spaced apart from the reflecting mirror, wherein when the collimating mirror is rotated to be parallel to a horizontal plane by the sample simulator, the collimating mirror, the light source and the light receiving device are collinear.
9. The X-ray diffractometer simulation device of claim 1, wherein a gap is provided between two adjacent mirrors.
10. A method of using an X-ray diffractometer simulation device, comprising:
respectively rotating a light source, a light receiving device and a sample simulator by the same preset angle so as to enable a light beam emitted by the light source to irradiate a reflector of the sample simulator and be 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 of the reflector;
and adjusting the preset angle according to the Bragg angle of the reflector to obtain the light intensity of diffraction phenomena at crystal faces corresponding to different reflectors and obtain a simulated diffraction map corresponding to the sample simulator.
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