Method for evaluating lead bismuth corrosion resistant materials

Abstract

The application provides an evaluation method of lead and bismuth corrosion-resistant material, and relates to the field of lead and bismuth corrosion-resistant material, which comprises the following steps: calculating the root mean square displacement and diffusion activation energy of each element in the sample material in liquid lead and bismuth alloy, and screening each element of the sample material based on preset conditions; calculating the density and distribution characteristics of each element of the sample material at the solid-liquid interface, evaluating the compactness of the oxide film based on the root mean square displacement and diffusion activation energy of the screened qualified elements, obtaining the structure of the oxide film according to the distribution characteristics, and obtaining the corrosion resistance of the oxide film based on the compactness of the oxide film; and calculating the depth and quantity of lead and bismuth alloy atoms invading the sample material, obtaining the difference of the lead and bismuth corrosion resistance of the sample material without the oxide film, and determining the composition and content of the lead and bismuth corrosion-resistant material based on the corrosion resistance of the oxide film. The application can screen the material composition with strong lead and bismuth corrosion resistance in a short time, and has the advantages of short time, low cost, high safety and wide screening range.

Description

TECHNICAL FIELD

[0001] The present application relates to the field of lead bismuth corrosion resistant materials, in particular to a method for evaluating lead bismuth corrosion resistant materials. BACKGROUND

[0002] At present, there is no complete process for evaluating the lead bismuth corrosion resistance of materials. Since the lead bismuth eutectic alloy corrosion process generally includes oxidation corrosion and dissolution corrosion, the two corrosion processes occur almost simultaneously, and the evaluation of the lead bismuth corrosion resistance of materials is generally based on the thickness, structure, integrity, compactness and stability of the oxide film. The existing technical implementation scheme is: first, prepare a large number of experimental sample materials for corrosion experiments, then extract the samples, extract the corrosion characteristics through professional instruments, and finally evaluate the corrosion resistance performance effect,

[0003] However, the lead bismuth corrosion experiment on the material requires a lot of time, generally more than 2000h for one corrosion experiment, and the cost of preparing materials and corrosion experiments is high, and the cost of screening a large number of sample materials is very high. Secondly, there are too many human factors in the material preparation and corrosion process, which has a certain influence on the corrosion performance of the evaluated materials.

[0004] Since the lead bismuth eutectic alloy has strong corrosive properties, and the corrosion experiment requires a long time, the experimental process needs to be well sealed to prevent the leakage of corrosive materials. The number of trial-and-error corrosion experiments should be minimized. SUMMARY

[0005] In view of the above problems, a method for evaluating lead bismuth corrosion resistant materials is proposed, which is used to save the cost of preparing a large number of experimental sample materials in the early stage, reduce the screening range of corrosion resistant materials, and reduce the number of corrosion experiments.

[0006] The first aspect of the present application proposes a method for evaluating lead bismuth corrosion resistant materials, comprising:

[0007] Calculate the root mean square displacement and diffusion activation energy of each element in the sample material in the liquid lead bismuth alloy, and screen each element of the sample material based on a predetermined condition;

[0008] Calculate the density of each element in the sample material at the solid-liquid interface, and evaluate the compactness of the oxide film based on the root mean square displacement and diffusion activation energy of the screened elements;

[0009] Obtain the distribution characteristics of each element in the sample material at the solid-liquid interface, obtain the structure of the oxide film according to the distribution characteristics, and obtain the corrosion resistance performance of the oxide film based on the compactness of the oxide film;

[0010] The analysis module is configured to count the depth and quantity of the lead-bismuth alloy atoms invading the sample material, obtain the difference in the lead-bismuth corrosion resistance of the sample material without the oxide film, and determine the composition and content of the lead-bismuth corrosion resistant material based on the corrosion resistance of the oxide film.

[0011] Optionally, the screening of each element in the sample material based on the preset condition comprises:

[0012] If an element in the sample material meets the diffusion condition, the element is screened to be qualified;

[0013] If an element in the sample material does not meet the diffusion condition, but the element has other corrosion resistance, the element is screened to be qualified;

[0014] If an element in the sample material does not meet the diffusion condition, and the element does not have other corrosion resistance, the element is screened to be unqualified.

[0015] Optionally, the method further comprises:

[0016] After the composition and content of the lead-bismuth corrosion resistant material are determined, the corrosion performance of the lead-bismuth corrosion resistant material is verified through experiments.

[0017] The second aspect of the present application provides an evaluation device for a lead-bismuth corrosion resistant material, comprising:

[0018] A screening module is configured to calculate the root-mean-square displacement and diffusion activation energy of each element in the sample material in the liquid lead-bismuth alloy, and screen each element in the sample material based on a preset condition;

[0019] A first evaluation module is configured to calculate the density of each element in the sample material at the solid-liquid interface, and evaluate the compactness of the oxide film based on the root-mean-square displacement and diffusion activation energy of the screened qualified element;

[0020] A second evaluation module is configured to obtain the distribution characteristics of each element in the sample material at the solid-liquid interface, obtain the structure of the oxide film according to the distribution characteristics, and obtain the corrosion resistance of the oxide film based on the compactness of the oxide film;

[0021] An analysis module is configured to count the depth and quantity of the lead-bismuth alloy atoms invading the sample material, obtain the difference in the lead-bismuth corrosion resistance of the sample material without the oxide film, and determine the composition and content of the lead-bismuth corrosion resistant material based on the corrosion resistance of the oxide film.

[0022] The third aspect of the present application provides a computer device, comprising a memory, a processor, and a computer program stored on the memory and executable on the processor, wherein when the processor executes the computer program, the method of any one of the above first aspects is implemented.

[0023] The fourth aspect of the present application provides a non-transitory computer-readable storage medium having a computer program stored thereon, wherein the computer program, when executed by a processor, implements the method of any one of the above first aspect.

[0024] The technical scheme provided by the embodiments of the present application at least has the following beneficial effects:

[0025] The corrosion process of the sample material and the lead-bismuth alloy is simulated by using the molecular dynamics simulation method, the properties of the sample material are explored from multiple angles, the density, diffusivity, distribution characteristics, and the depth and number of the lead-bismuth alloy atomic invasion are comprehensively considered, the component space of the sample material is greatly reduced, the material component with strong lead-bismuth corrosion resistance can be screened in a short time, and the method has the advantages of short time, low cost, high safety, large screening range, and strong applicability.

[0026] Additional aspects and advantages of the present application will be in part apparent and in part pointed out hereinafter. BRIEF DESCRIPTION OF DRAWINGS

[0027] The above and / or additional aspects and advantages of the present application will become apparent and be readily appreciated from the following description, taken in conjunction with the accompanying drawings, in which:

[0028] Figure 1 is a general flowchart of an evaluation method of a lead-bismuth corrosion resistant material according to an embodiment of the present application;

[0029] Figure 2 is a structural flowchart of an evaluation method of a lead-bismuth corrosion resistant material according to an embodiment of the present application;

[0030] Figure 3 is a block diagram of an evaluation device of a lead-bismuth corrosion resistant material according to an embodiment of the present application;

[0031] Figure 4 is a block diagram of an electronic device. DETAILED DESCRIPTION

[0032] The embodiments of the present application are described in detail below, and examples of the embodiments are shown in the accompanying drawings, in which the same or similar reference numerals represent the same or similar elements or elements having the same or similar functions throughout. The embodiments described below are exemplary and are intended to explain the present application, and cannot be understood as limiting the present application.

[0033] As shown in Figure 1 and Figure 2 The technical scheme of the evaluation method of the lead-bismuth corrosion resistant material proposed in the present application is as follows:

[0034] Step 101: Calculate the root mean square displacement and diffusion activation energy of each element in the sample material in the liquid lead-bismuth alloy, and screen each element of the sample material based on preset conditions.

[0035] Since the corrosion process of the sample material in liquid lead-bismuth alloy includes both oxidation corrosion and dissolution corrosion, the ease with which the sample material elements dissolve into the liquid lead-bismuth alloy and the diffusion depth can be analyzed by calculating the root-mean-square displacement and diffusion activation energy of the sample material elements in the liquid lead-bismuth alloy. Elements that are easily dissolved in liquid lead-bismuth alloy may not be suitable as components of lead-bismuth corrosion-resistant materials. Of course, specific issues require specific analysis; the element may have excellent properties in other aspects. This step can only provide a reference for determining the composition of lead-bismuth corrosion-resistant materials.

[0036] Specifically, if an element in a sample material meets the diffusion conditions, then that element is qualified for screening.

[0037] If an element in a sample material does not meet the diffusion conditions, but the element has other corrosion resistance properties, then the element is qualified for screening.

[0038] If an element in the sample material does not meet the diffusion conditions and does not have other corrosion resistance properties, then the element is not qualified for screening.

[0039] In one possible implementation, such as Figure 2 As shown, if element A diffuses most easily, element B has moderate diffusion ability and element C basically does not diffuse, and element A does not meet the predetermined diffusion conditions.

[0040] Based on the assumptions of the above embodiments, if elements B and C meet the screening criteria, and if element A has other corrosion resistance properties, then element A is qualified for screening. If element A does not have other corrosion resistance properties, it is necessary to consider reducing the use of element A in lead-bismuth corrosion resistant materials.

[0041] Step 102: Calculate the density of each element in the sample material at the solid-liquid interface, and evaluate the density of the oxide film based on the root mean square displacement and diffusion activation energy of the qualified elements.

[0042] In this embodiment of the application, by analyzing the density of each element in the solid-liquid interface sample material, the density of the oxide film after its formation can be evaluated. This step can provide a reference for determining the composition of lead-bismuth corrosion-resistant materials.

[0043] The solid-liquid interface refers to the junction between the sample material and the lead-bismuth alloy.

[0044] Step 103: Obtain the distribution characteristics of each element in the sample material at the solid-liquid interface, obtain the structure of the oxide film based on the distribution characteristics, and obtain the corrosion resistance of the oxide film based on the density of the oxide film.

[0045] In the embodiment of the present application, the distribution characteristics of the solid-liquid interface sample elements can be used to infer the composition of the oxide film. The distribution characteristics of the solid-liquid interface sample elements are caused by the dissolution of the sample material elements into the liquid lead-bismuth alloy. The dissolved sample material elements at the solid-liquid interface combine with the dissolved oxygen in the liquid lead-bismuth alloy to form the oxide film on the surface of the sample material matrix. Therefore, the structural characteristics of the oxide film formed after the sample material is corroded by the lead-bismuth alloy can be analyzed by this method, and this step can provide a reference for determining the composition of the lead-bismuth corrosion-resistant material.

[0046] In step 104, the depth and quantity of lead-bismuth alloy atoms invading the sample material are counted to obtain the difference in the ability of the sample material to resist lead-bismuth corrosion without an oxide film, and the composition and content of the lead-bismuth corrosion-resistant material are determined based on the corrosion resistance of the oxide film.

[0047] In the embodiment of the present application, in the early stage of the corrosion experiment, the liquid lead-bismuth alloy invades the inside of the sample material before the sample material forms an oxide film. The depth of the liquid lead-bismuth alloy entering the sample material has an important influence on the thickness of the oxide film, and may even cause internal oxidation of the sample material, thereby affecting the material properties. Therefore, analyzing the depth and quantity of lead-bismuth alloy atoms invading the sample material can provide a reference for determining the composition of the lead-bismuth corrosion-resistant material.

[0048] It should be noted that after the composition and content of the lead-bismuth corrosion-resistant material are determined, the corrosion performance is verified through a small amount of experiments.

[0049] The present application uses molecular dynamics simulation method to simulate the corrosion process of the sample material and the lead-bismuth alloy, explores the properties of the sample material from multiple angles, and comprehensively considers the density, diffusivity, distribution characteristics, and the depth and quantity of lead-bismuth alloy atoms invading, greatly reduces the composition space of the sample material, can screen the material composition with strong lead-bismuth corrosion resistance in a short time, has short time, low cost, high safety, large screening range, and strong applicability.

[0050] Figure 3 It is an evaluation device for a lead-bismuth corrosion-resistant material according to the embodiment of the present application, which comprises a screening module 310, a first evaluation module 320, a second evaluation module 330, and an analysis module 340.

[0051] The screening module 310 is used to calculate the root-mean-square displacement and diffusion activation energy of each element in the sample material in the liquid lead-bismuth alloy, and screen each element of the sample material based on a preset condition.

[0052] The first evaluation module 320 is used to calculate the density of each element in the sample material at the solid-liquid interface, and evaluate the compactness of the oxide film based on the root-mean-square displacement and diffusion activation energy of the screened elements.

[0053] The second evaluation module 330 is configured to acquire the distribution characteristics of each element in the sample material at the solid-liquid interface, obtain the structure of the oxide film according to the distribution characteristics, and obtain the corrosion resistance of the oxide film based on the compactness of the oxide film.

[0054] The analysis module 340 is configured to count the depth and quantity of the lead-bismuth alloy atoms invading the sample material, obtain the difference in the corrosion resistance of the sample material to lead-bismuth when there is no oxide film, and determine the components and contents of the lead-bismuth corrosion-resistant material based on the corrosion resistance of the oxide film.

[0055] As to the device in the above-mentioned embodiments, the specific manner in which each module performs operations has been described in detail in the embodiments related to the method, and will not be described in detail here.

[0056] Figure 4 A schematic block diagram of an example electronic device 400 that can be used to implement embodiments of the present disclosure is shown. The electronic device is intended to represent various forms of digital computers, such as laptops, desktops, tablets, personal digital assistants, servers, blade servers, mainframes, and other appropriate computers. The electronic device can also represent various forms of mobile devices, such as personal digital assistants, cellular telephones, smartphones, wearable devices, and other similar computing devices. The components shown here, their connections and relationships, and their functions, are meant to be examples only, and are not meant to limit the implementations of the present disclosure described and / or claimed in this document.

[0057] As shown in Figure 4 The device 400 includes a computing unit 401 that can perform various appropriate actions and processes according to a computer program stored in a read-only memory (ROM) 402 or a computer program loaded from a storage unit 403 into a random access memory (RAM) 403. Various programs and data required for the operation of the device 400 can also be stored in the RAM 403. The computing unit 401, the ROM 402, and the RAM 403 are connected to each other through a bus 404. An input / output (I / O) interface 405 is also connected to the bus 404.

[0058] Various components in the device 400 are connected to the I / O interface 405, including an input unit 406, such as a keyboard, a mouse, etc., an output unit 407, such as various types of displays, a speaker, etc., a storage unit 408, such as a magnetic disk, an optical disk, etc., and a communication unit 409, such as a network card, a modem, a wireless communication transceiver, etc. The communication unit 409 allows the device 400 to exchange information / data with other devices through a computer network, such as the Internet, and / or various telecommunication networks.

[0059] The computing unit 401 can be various general and / or special purpose processing components with processing and computing capabilities. Some examples of the computing unit 401 include, but are not limited to, a central processing unit (CPU), a graphics processing unit (GPU), various specialized artificial intelligence (AI) computing chips, various computing units running machine learning model algorithms, a digital signal processor (DSP), and any appropriate processor, controller, microcontroller, etc. The computing unit 401 performs various methods and processes described above, such as the voice instruction response method. For example, in some embodiments, the voice instruction response method can be implemented as a computer software program tangibly embodied in a machine-readable medium, such as the storage unit 408. In some embodiments, part or all of the computer program can be loaded and / or installed onto the device 400 via the ROM 402 and / or the communication unit 409. When the computer program is loaded onto the RAM 403 and executed by the computing unit 401, one or more steps of the voice instruction response method described above can be performed. Alternatively, in other embodiments, the computing unit 401 can be configured to perform the voice instruction response method by any other appropriate means, such as by means of firmware.

[0060] Various implementations of the systems and techniques described above can be realized in digital electronic circuitry, integrated circuitry, a field programmable gate array (FPGA), an application specific integrated circuit (ASIC), a system on a chip (SOC), a programmable logic device (PLD), a computer hardware, firmware, software, and / or combinations thereof. These various implementations can include implementation in one or more computer programs that are executable and / or interpretable on a programmable system including at least one programmable processor, which can be special or general purpose, coupled to receive data and instructions from, and to transmit data and instructions to, a storage system, at least one input device, and at least one output device.

[0061] Program code for carrying out methods of the present disclosure can be written in any combination of one or more programming languages. The program code can be provided to a processor or controller of a general purpose computer, special purpose computer, or other programmable data processing apparatus to produce a machine, such that the program code, when executed by the processor or controller, produces the functions / operations specified in the flowcharts and / or the block diagrams. The program code can be executed entirely on a machine, partially on a machine, partially on a machine as a stand-alone software package, partially on a machine and partially on a remote machine or entirely on a remote machine or server.

[0062] In the context of this disclosure, a machine-readable medium can be a tangible medium that contains or stores a program for use by or in connection with an instruction execution system, apparatus, or device. The machine-readable medium can be a machine-readable signal medium or a machine-readable storage medium. A machine-readable medium can include but is not limited to an electronic, magnetic, optical, electromagnetic, infrared, or semiconductor system, apparatus, or device, or any suitable combination of the foregoing. More specific examples of the machine-readable storage medium will include one or more lines of electrical connections, portable computer disks, hard disk drives, random access memory (RAM), read-only memory (ROM), erasable programmable read-only memory (EPROM or Flash memory), optical fibers, portable compact disc read-only memories (CD-ROMs), optical storage devices, magnetic storage devices, or any suitable combination of the foregoing.

[0063] To provide for interaction with a user, the systems and techniques described here can be implemented on a computer having a display device (e.g., a CRT (cathode ray tube) or LCD (liquid crystal display) monitor) for displaying information to the user and a keyboard and a pointing device (e.g., a mouse or a trackball) by which the user can provide input to the computer. Other kinds of devices can be used to provide for interaction with a user as well; for example, feedback provided to the user can be any form of sensory feedback (e.g., visual feedback, auditory feedback, or tactile feedback); and input from the user can be received in any form, including acoustic, speech, or tactile input.

[0064] The systems and techniques described here can be implemented in a computing system that includes a back end component (e.g., as a data server), or that includes a middleware component (e.g., an application server), or that includes a front end component (e.g., a user computer having a graphical user interface or a Web browser through which a user can interact with an implementation of the systems and techniques described here), or any combination of such back end, middleware, or front end components. The components of the system can be interconnected by any form or medium of digital data communication (e.g., a communication network). Examples of communication networks include a local area network (LAN), a wide area network (WAN), the Internet, and a blockchain network.

[0065] The computer system can include clients and servers. This relationship can be. The servers are generally remote from the users and can be accessed via the Internet using a communication network. The relationship can be a client-server relationship over a communications network, and as such, the servers can be accessed by the clients using computer programs. The servers can be cloud servers, also known as cloud computing servers or cloud hosts, which are mainframe products in the cloud computing service system, and solve the defects of large management difficulty and weak business scalability in traditional physical hosts and VPS services ("Virtual Private Server", or simply "VPS").

[0066] It should be understood that the various forms of flow shown above can be reordered, added to, or have steps deleted. For example, the steps described in the present disclosure can be performed in parallel, in series, or in a different order, as long as the desired results of the technical solutions of the present disclosure can be achieved, and the present disclosure is not limited herein.

[0067] The above detailed description does not constitute a limitation on the protection scope of the present disclosure. Those skilled in the art should understand that various modifications, combinations, sub-combinations and substitutions can be made according to design requirements and other factors. Any modifications, equivalent replacements and improvements made within the spirit and principles of the present disclosure shall be included in the protection scope of the present disclosure.

Claims

1. A method for evaluating lead-bismuth corrosion-resistant materials, characterized in that, include: Calculate the root mean square displacement and diffusion activation energy of each element in the sample material in liquid lead-bismuth alloy, and screen each element of the sample material based on preset conditions; The density of each element in the sample material at the solid-liquid interface is calculated, and the density of the oxide film is evaluated based on the root mean square displacement and diffusion activation energy of the qualified elements. The solid-liquid interface refers to the junction between the sample material and the lead-bismuth alloy. The sample material elements dissolved at the solid-liquid interface combine with the dissolved oxygen in the liquid lead-bismuth alloy to form the oxide film on the surface of the sample material matrix. The distribution characteristics of each element in the sample material at the solid-liquid interface are obtained, the structure of the oxide film is obtained based on the distribution characteristics, and the corrosion resistance of the oxide film is obtained based on the density of the oxide film. The depth and number of lead-bismuth alloy atoms penetrating the sample material were statistically analyzed to obtain the difference in the resistance of the sample material to lead-bismuth corrosion when there is no oxide film. Based on the corrosion resistance of the oxide film, the composition and content of the lead-bismuth corrosion resistant material were determined. In the early stage of the corrosion experiment, when the sample material has not formed an oxide film, liquid lead-bismuth alloy will penetrate into the interior of the sample material. The screening of each element of the sample material based on preset conditions includes: If an element in the sample material meets the diffusion conditions, then that element is qualified for screening. If an element in the sample material does not meet the diffusion conditions, but the element has other corrosion resistance properties, then the element is qualified for screening. If an element in the sample material does not meet the diffusion conditions and does not have other corrosion resistance properties, then the element is not qualified for screening.

2. The method according to claim 1, characterized in that, The method further includes: After determining the composition and content of the lead-bismuth corrosion-resistant material, the corrosion performance of the lead-bismuth corrosion-resistant material was verified by experiments.

3. An evaluation device for lead-bismuth corrosion-resistant materials, characterized in that, include: The screening module is used to calculate the root mean square displacement and diffusion activation energy of each element in the sample material in the liquid lead-bismuth alloy, and to screen each element of the sample material based on preset conditions. The first evaluation module is used to calculate the density of each element in the sample material at the solid-liquid interface, and evaluate the density of the oxide film based on the root mean square displacement and diffusion activation energy of the qualified elements. The solid-liquid interface refers to the junction between the sample material and the lead-bismuth alloy. The sample material elements dissolved at the solid-liquid interface combine with the dissolved oxygen in the liquid lead-bismuth alloy to form the oxide film on the surface of the sample material matrix. The second evaluation module is used to obtain the distribution characteristics of each element in the sample material at the solid-liquid interface, obtain the structure of the oxide film based on the distribution characteristics, and obtain the corrosion resistance of the oxide film based on the density of the oxide film. The analysis module is used to count the depth and number of lead-bismuth alloy atoms penetrating the sample material, obtain the difference in the resistance of the sample material to lead-bismuth corrosion when there is no oxide film, and determine the composition and content of lead-bismuth corrosion resistant materials based on the corrosion resistance performance of the oxide film. In the early stage of the corrosion experiment, when the sample material has not formed an oxide film, liquid lead-bismuth alloy will penetrate into the interior of the sample material. The screening of each element of the sample material based on preset conditions includes: If an element in the sample material meets the diffusion conditions, then that element is qualified for screening. If an element in the sample material does not meet the diffusion conditions, but the element has other corrosion resistance properties, then the element is qualified for screening. If an element in the sample material does not meet the diffusion conditions and does not have other corrosion resistance properties, then the element is not qualified for screening.

4. A computer device, characterized in that, The method includes a memory, a processor, and a computer program stored in the memory and executable on the processor, wherein when the processor executes the computer program, it implements the method as described in any one of claims 1-2.

5. A non-transitory computer-readable storage medium having a computer program stored thereon, characterized in that, When the computer program is executed by a processor, it implements the method as described in any one of claims 1-2.

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