Glass material hardness detection method and device based on molecular dynamics

Abstract

The glass material hardness detection method based on molecular dynamics comprises the following steps: determining a target glass material and target calculation parameters thereof, establishing a target glass model according to the target glass material, and establishing a regular rectangular pyramid model; according to the target calculation parameters, simulating interaction between the regular quadrangular pyramid model and the target glass model by adopting a molecular dynamics algorithm to obtain force and displacement data, and fitting the force and displacement data to obtain a target fitting curve; according to the target fitting curve, determining a target maximum press-in depth and a target maximum press-in force, and according to the target maximum press-in depth, determining a target curve slope; and determining a target contact area of the rectangular pyramid model according to the target maximum press-in force, the target curve slope and the edge length of the rectangular pyramid model, and calculating the hardness of the target glass material according to the target maximum press-in force and the target contact area. Therefore, accurate hardness data is obtained through analog calculation, the test cost is reduced, and the test efficiency is improved.

Description

Technical Field

[0001] The present application relates to the technical field of glass hardness detection, and in particular to a method and device for detecting the hardness of glass materials based on molecular dynamics. Background Art

[0002] The hardness of glass reflects its ability to resist deformation and wear, and is one of the important indicators for evaluating glass quality. In the fields of building materials, automobile manufacturing, electronic display and glass instrument manufacturing, glass hardness testing has important application value and can ensure the safety and durability of glass during use.

[0003] Traditional hardness testing methods, such as the Vickers hardness test, calculate the hardness by applying a certain load on the glass surface and then measuring the relationship between the load and the indentation depth; the Mohs hardness test uses a Mohs hardness pen, but these experimental methods have corresponding limitations. When testing the hardness of glass, you must first melt the glass for testing, which is time-consuming and labor-intensive. In addition, the process of melting glass is affected by factors such as ingredients, melting, and annealing, which may cause large differences in the uniformity of the glass, resulting in large fluctuations in the test results. A large amount of data is required for averaging to ensure the accuracy of the results. The hardness is also affected by test factors such as temperature and humidity, which leads to long experimental cycles and high prices. It can be seen that the existing hardness testing methods require high costs to ensure the accuracy of the test results. Summary of the invention

[0004] The purpose of this application is to solve at least one of the above-mentioned technical defects, especially the technical defect that the prior art requires a high cost to ensure the accuracy of the test results.

[0005] In a first aspect, the present application provides a method for detecting hardness of a glass material based on molecular dynamics, the method comprising:

[0006] Determine the target glass material and its target calculation parameters, and establish a target glass model according to the target glass material, and establish a regular tetrahedron model;

[0007] According to the target calculation parameters, the molecular dynamics algorithm is used to simulate the interaction between the regular four-cone model and the target glass model to obtain the force and displacement data, and the force and displacement data are fitted to obtain the target fitting curve;

[0008] According to the target fitting curve, a target maximum indentation depth and a target maximum indentation force are determined, and according to the target maximum indentation depth, a target curve slope is determined;

[0009] The target contact area of ​​the regular tetrahedron model is determined according to the target maximum indentation force, the target curve slope and the edge length of the tetrahedron model, and the hardness of the target glass material is calculated according to the target maximum indentation force and the target contact area.

[0010] In one embodiment, the target calculation parameters include calculation temperature, time step, potential, loading rate and unloading rate.

[0011] In one embodiment, the step of fitting the force and displacement data includes:

[0012] The force and displacement data were fitted using the following fitting function:

[0013]

[0014] Wherein, a, b and c represent fitting parameters, x represents the depth of the regular tetrahedron model pressed into the target glass model, i.e., displacement, and y represents the pressure exerted by the regular tetrahedron model on the target glass model.

[0015] In one embodiment, the step of determining the target contact area of ​​the regular tetrahedron model according to the target maximum pressing force, the target curve slope and the edge length of the tetrahedron model comprises:

[0016] Calculate the target penetration depth according to the target maximum penetration force and the target curve slope;

[0017] The target contact area of ​​the regular tetrahedron model is calculated according to the target indentation depth and the edge length of the regular tetrahedron model.

[0018] In one embodiment, the step of calculating the target penetration depth according to the target maximum penetration force and the target curve slope includes:

[0019] The target penetration depth is calculated using the following formula:

[0020]

[0021] in, Indicates the target penetration depth, Indicates the target maximum pressing force, Indicates the slope of the target curve.

[0022] In one embodiment, the step of calculating the target contact area of ​​the regular tetrahedron model according to the target indentation depth and the edge length of the regular tetrahedron model includes:

[0023] The target contact area is calculated using the following formula:

[0024]

[0025] in, represents the target contact area, represents the edge length of the regular tetrahedron model, Indicates the target penetration depth.

[0026] In one embodiment, the step of calculating the hardness of the target glass material according to the target maximum indentation force and the target contact area comprises:

[0027] The hardness of the target glass material is calculated using the following formula:

[0028]

[0029] in, Indicates the hardness of the target glass material, Indicates the target maximum pressing force, Represents the target contact area.

[0030] In a second aspect, the present application provides a glass material hardness detection device based on molecular dynamics, the device comprising:

[0031] A model building module, used to determine the target glass material and its target calculation parameters, and to build a target glass model according to the target glass material, and to build a regular tetrahedron model;

[0032] A target fitting curve determination module is used to simulate the interaction between the regular four-pole model and the target glass model using a molecular dynamics algorithm according to target calculation parameters, obtain force and displacement data, and fit the force and displacement data to obtain a target fitting curve;

[0033] A target curve slope determination module is used to determine a target maximum indentation depth and a target maximum indentation force according to a target fitting curve, and to determine a target curve slope according to the target maximum indentation depth;

[0034] The glass material hardness calculation module is used to determine the target contact area of ​​the regular tetrahedron model according to the target maximum indentation force, the target curve slope and the edge length of the tetrahedron model, and calculate the hardness of the target glass material according to the target maximum indentation force and the target contact area.

[0035] In a third aspect, the present application provides a storage medium: the storage medium stores computer-readable instructions, and when the computer-readable instructions are executed by one or more processors, the one or more processors execute the steps of any of the molecular dynamics-based glass material hardness detection methods in the above-mentioned embodiments.

[0036] In a fourth aspect, the present application provides a computer device, comprising: one or more processors, and a memory;

[0037] The memory stores computer-readable instructions, and when the computer-readable instructions are executed by one or more processors, the steps of any of the molecular dynamics-based glass material hardness detection methods in the above embodiments are performed.

[0038] It can be seen from the above technical solutions that the embodiments of the present application have the following advantages:

[0039] The present application provides a method and device for detecting the hardness of glass materials based on molecular dynamics. This method detects the hardness of glass materials through simulation based on molecular dynamics, overcoming the problems of high cost, long cycle and environmental factors in traditional hardness testing. By establishing a target glass model and a regular tetrahedron model, and using a molecular dynamics algorithm to simulate the interaction between the two, the hardness of the glass can be accurately calculated, thereby avoiding the high time consumption, labor consumption and unevenness problems in traditional methods. The advantage of this method is that it can obtain accurate hardness data through simulation calculation without the need for actual melting of glass, reducing testing costs and improving testing efficiency. BRIEF DESCRIPTION OF THE DRAWINGS

[0040] In order to more clearly illustrate the embodiments of the present application or the technical solutions in the prior art, the drawings required for use in the embodiments or the description of the prior art will be briefly introduced below. Obviously, the drawings described below are only some embodiments of the present application. For ordinary technicians in this field, other drawings can be obtained based on these drawings without paying creative labor.

[0041] Figure 1 A schematic diagram of a flow chart of a method for detecting hardness of a glass material based on molecular dynamics provided in an embodiment of the present application;

[0042] Figure 2 An example diagram of a force-displacement fitting curve provided in an embodiment of the present application;

[0043] Figure 3 A schematic diagram of the structure of a glass material hardness detection device based on molecular dynamics provided in an embodiment of the present application;

[0044] Figure 4 A schematic diagram of the internal structure of a computer device provided in an embodiment of the present application. DETAILED DESCRIPTION

[0045] The following will be combined with the drawings in the embodiments of the present application to clearly and completely describe the technical solutions in the embodiments of the present application. Obviously, the described embodiments are only part of the embodiments of the present application, not all of the embodiments. Based on the embodiments in the present application, all other embodiments obtained by ordinary technicians in this field without creative work are within the scope of protection of this application.

[0046] The present application provides a method for testing the hardness of glass materials based on molecular dynamics. The following embodiments are described by taking the method applied to a computer device as an example. It can be understood that the computer device can be any device with data processing functions, including but not limited to a single server, a server cluster, a personal laptop, a desktop computer, etc. Figure 1 As shown, the method may include the following steps:

[0047] S101: Determine a target glass material and its target calculation parameters, and establish a target glass model according to the target glass material, and establish a regular tetrahedron model.

[0048] Among them, the target glass material refers to the glass material that needs to be tested for hardness. The target calculation parameters refer to the specific parameters that need to be used in the hardness calculation process, such as the density, molecular structure, atomic arrangement, etc. of the glass. The target glass model refers to a computer simulation model built based on the calculation parameters of the target glass material, which is used to simulate the physical properties of the glass. The regular tetrahedron model is a geometric model used in the simulation process of hardness testing to simulate a conical object that applies pressure. The force and displacement relationship generated when it interacts with the target glass model can be used to calculate the hardness.

[0049] In this step, the input target glass material related information and target calculation parameters are received. The target material related information may include the type of glass and specific physical parameters, such as density, composition, etc. Afterwards, the target glass model can be constructed using computer-aided design tools or molecular modeling software. At the same time, according to the principles and requirements of the hardness test, a regular tetrahedron model is constructed, and its size and shape should meet the specifications of the indenter in the actual test. For example, if the target glass is soda-lime glass, its main components include silicon dioxide, sodium oxide, and calcium oxide, etc., by inputting the chemical formula and proportion of these components, combined with the microstructure information of the glass, such as atomic spacing, bond angle, etc., the corresponding three-dimensional molecular model can be generated, and the regular tetrahedron model can be parameterized according to the size of the indenter used in the actual hardness test, such as the vertex angle, the bottom side length, etc.

[0050] It can be understood that determining the target glass material and its calculation parameters, and establishing the corresponding glass model and regular tetrahedron model, is to accurately simulate the actual hardness test process in a virtual environment, so that the test scene can be quickly constructed and simulated without relying on actual samples. Through model construction, the waste of time and resources caused by sample preparation in traditional methods is avoided; secondly, the model parameters can be flexibly adjusted to adapt to different test conditions, thereby improving the versatility and adaptability of the simulation; finally, through precise model construction, the mechanical behavior of glass materials at the microscopic level can be more accurately reflected, providing a more reliable theoretical basis for hardness testing.

[0051] S102: According to the target calculation parameters, a molecular dynamics algorithm is used to simulate the interaction between the regular tetrahedron model and the target glass model to obtain force and displacement data, and the force and displacement data are fitted to obtain a target fitting curve.

[0052] Among them, the molecular dynamics algorithm is a computational method that simulates the interaction between molecules. It is used to predict the performance of materials under external forces and can provide a description of physical behavior at the microscopic level. The force and displacement data are data obtained during the simulation process, including the force applied to the target glass model and the displacement of the glass surface, which are used to describe the deformation characteristics of the material. The target fitting curve is a curve obtained by mathematically fitting the force and displacement data. It reflects the mechanical response of the target glass under different pressures and is used to further calculate its hardness.

[0053] In this step, the molecular dynamics algorithm is used to calculate the applied pressure and deformation of the glass surface by simulating the interaction between the regular tetrahedron model and the target glass model. In this process, the molecular dynamics algorithm simulates the mutual collision, vibration and deformation of molecules and atoms under the action of force according to the input target calculation parameters. By collecting the force and displacement data during the simulation process, a mechanical curve about the hardness of the glass is generated.

[0054] In one example, the target calculation parameters are determined first, and then the programmed molecular dynamics algorithm program is called. In a virtual three-dimensional space, the regular tetrahedron model is gradually approached to the target glass model from a certain distance. When the two come into contact, the interaction force between each atom on the regular tetrahedron model and the atoms of the target glass model is calculated in real time according to the molecular dynamics algorithm. As the regular tetrahedron is continuously pressed in, the reaction force on the regular tetrahedron at different times and the displacement of the corresponding position of the target glass model are continuously recorded to obtain the force and displacement data. After obtaining the data, a suitable fitting algorithm is selected, such as polynomial fitting. The force and displacement data are adjusted by adjusting the coefficients of the fitting function so that the fitting curve is as close to the data point as possible, and finally the target fitting curve is generated. For example, during the simulation process, if it is found that the force and displacement present an approximate quadratic function relationship, a quadratic polynomial is selected for fitting so that the curve can accurately reflect the relationship between the two.

[0055] It can be understood that the use of molecular dynamics algorithms to simulate the interaction between the regular tetrahedron model and the target glass model can accurately simulate the mechanical behavior of glass materials at the microscopic level, avoiding the limitations of equipment and operators in traditional hardness tests. Through this simulation method, more accurate force and displacement data can be obtained, and the target fitting curve can be obtained by fitting, and then the hardness of the glass can be accurately calculated. Without the need for actual experiments, the hardness of glass can be predicted by computer simulation, saving a lot of experimental time and cost. In addition, the simulation results are more detailed and can provide more information about the behavior of glass under different pressures, providing strong support for material optimization and performance evaluation. In this way, not only the test accuracy is improved, but it can also be widely used in the research and quality control of different types of glass materials.

[0056] S103: Determine a target maximum penetration depth and a target maximum penetration force according to the target fitting curve, and determine a target curve slope according to the target maximum penetration depth.

[0057] Among them, the target maximum indentation depth is the maximum indentation depth caused by the applied pressure on the glass surface in the hardness test simulation, which corresponds to the degree of deformation of the glass under the maximum load. The target maximum indentation force is the maximum force applied to the glass surface during the hardness test, which is usually the pressure value when the glass undergoes the maximum deformation. The target curve slope represents the deformation rate of the glass under the maximum indentation force, which is usually used to describe the rigidity or elastic properties of the material.

[0058] In this step, the maximum indentation depth and the corresponding maximum indentation force of the glass surface under the maximum pressure can be determined by mathematical analysis based on the fitting curve. Specifically, the maximum force and its corresponding displacement value are found at a certain end point of the curve at the beginning, and then the target maximum indentation depth and the target maximum indentation force are obtained. Next, the slope of the target curve is further calculated using the information of the maximum indentation depth. At the target maximum indentation depth, the slope of the fitting curve can be approximately calculated by derivation or differential method.

[0059] In one example, since the target fitting curve is a mathematical expression of the relationship between force and displacement, the displacement data points on the curve can be traversed to find the point with the largest displacement value. The displacement corresponding to this point is the target maximum penetration depth; at the same time, the point with the largest force value on the curve is found, and the corresponding force is the target maximum penetration force. After determining the target maximum penetration depth, calculate the slope of the target curve. The specific method is to use the method of numerical differentiation to select the point corresponding to the target maximum penetration depth and several points nearby, and calculate the approximate tangent slope of the curve at this point through the coordinates of these points. For example, the central difference method is used to select two adjacent points on the left and right of the target maximum penetration depth point, and the approximate slope of the target curve is calculated according to the slope calculation formula. If higher accuracy is required, more adjacent points can be selected and a more complex numerical differentiation algorithm can be used for calculation.

[0060] It can be understood that by determining the maximum indentation depth and maximum indentation force according to the target fitting curve, and using these data to further calculate the slope of the curve, the hardness characteristics and elastic behavior of the glass material under different loads can be accurately described. The maximum indentation depth and maximum indentation force provide key experimental data for hardness calculation, while the slope of the curve reflects the rigidity or flexibility of the material. This method can accurately capture the mechanical response of glass at a microscopic level, provide a more detailed hardness assessment, and avoid the high cost and long cycle of traditional hardness testing. Through numerical simulation, the test results are not limited by experimental conditions and have a high degree of repeatability and predictability, which significantly improves the accuracy, reliability and work efficiency of hardness testing, while saving time and resources in R&D and production.

[0061] S104: Determine a target contact area of ​​the regular tetrahedron model according to the target maximum indentation force, the target curve slope and the edge length of the tetrahedron model, and calculate the hardness of the target glass material according to the target maximum indentation force and the target contact area.

[0062] Among them, the target contact area is the contact area between the regular tetrahedron model and the target glass model. Glass hardness refers to the ability of glass materials to resist deformation and wear.

[0063] In this step, the contact area at the maximum indentation depth is calculated using a geometric formula based on the geometric relationship of the tetrahedron model. For example, if the bottom surface of the tetrahedron is a square, the contact area can be calculated by the square of the bottom side length. Then, the hardness value of the target glass material is obtained using the definition formula of hardness.

[0064] It can be understood that by determining the contact area and calculating the glass hardness based on the target maximum indentation force, the target curve slope and the edge length of the four-sided pyramid model, the deformation of the glass material under the action of external force can be accurately reflected. The hardness value obtained by combining the maximum indentation force and the contact area can objectively measure the compressive strength of the glass. Numerical simulation provides an efficient and low-cost alternative to hardness testing, while improving the accuracy and repeatability of the test, which is suitable for large-scale material analysis and optimization.

[0065] In the above embodiment, the hardness of the glass material is detected by simulation based on molecular dynamics, which overcomes the problems of high cost, long cycle and environmental factors in traditional hardness testing. By establishing a target glass model and a regular tetrahedron model, and using a molecular dynamics algorithm to simulate the interaction between the two, the hardness of the glass can be accurately calculated, thereby avoiding the high time consumption, labor consumption and non-uniformity problems in traditional methods. The advantage of this method is that accurate hardness data can be obtained through simulation calculation without the need for actual melting of glass, which reduces the test cost and improves the test efficiency.

[0066] In one embodiment, the target calculation parameters include calculation temperature, time step, potential, loading rate, and unloading rate.

[0067] Among them, the calculation temperature refers to the temperature of the glass material during the simulation process, which usually affects the interaction between molecules and the physical properties of the material. In molecular dynamics simulation, temperature determines the movement rate and energy distribution of molecules, and therefore has an important influence on the simulation results. In molecular dynamics simulation, the time step represents the time interval between each step in the simulation. A smaller time step can improve the simulation accuracy, especially when describing fast dynamic processes, but it increases the amount of calculation. A suitable time step helps to obtain accurate results under reasonable computing resources. The potential is a mathematical model that describes the interaction force between molecules. In molecular dynamics simulation, the interaction between glass molecules is usually represented by a potential function, such as the Lennard-Jones potential or the Coulomb potential. It determines the attraction and repulsion between molecules and is crucial to the accuracy of the simulation. The loading rate refers to the speed at which pressure is applied during the hardness test simulation. The loading rate affects the stress-strain curve of the material and its hardness behavior. Too fast or too slow loading rates may affect the results of the hardness test, and usually need to be set according to the material properties. The unloading rate refers to the speed at which the pressure is gradually released during the hardness test. The unloading rate is closely related to the recovery behavior of the material. Especially when simulating the elastic or plastic deformation of the material, the setting of the unloading rate will affect the material performance and hardness calculation.

[0068] Specifically, in molecular dynamics simulation, simulation conditions are set according to various target calculation parameters. For example, first enter the target calculation temperature, then the molecular interactions and dynamic evolution can be carried out at this temperature; then, the time step determines the calculation accuracy of the molecular motion in the simulation at each time point; use a suitable potential function to simulate the interaction force between glass molecules, and then calculate the molecular motion trajectory and collision reaction; the loading rate and unloading rate help determine the hardness characteristics of the glass material under different mechanical conditions by simulating the process of applying and removing pressure at different rates. In one example, the calculation temperature is set to 5000K, the time step is set to 1fs, the potential uses Buckingham, and the loading and unloading rates are both 50m / s.

[0069] In this embodiment, the various target calculation parameters work together to ensure that the simulation process can truly reproduce the physical conditions that the glass material may encounter in the actual hardness test. The calculation temperature and time step control the accuracy and stability of the simulation, and the potential function ensures that the mechanical response in the simulation is authentic. The loading rate and unloading rate can simulate the mechanical response of the glass in the actual test by controlling the process of applying and releasing pressure. By accurately setting these parameters, the simulation results can highly restore the mechanical behavior of the glass material, improve the accuracy, reliability and repeatability of the hardness test, and avoid the errors and high costs that may exist in traditional experimental methods.

[0070] In one embodiment, the step of fitting the force and displacement data includes:

[0071] The force and displacement data were fitted using the following fitting function:

[0072]

[0073] Wherein, a, b and c represent fitting parameters, x represents the depth of the regular tetrahedron model pressed into the target glass model, i.e., displacement, and y represents the pressure exerted by the regular tetrahedron model on the target glass model.

[0074] Where a is the coefficient of the relationship between pressure and displacement, reflecting the strength of the overall relationship between applied pressure and displacement. 𝑏 is the offset of the displacement, which is usually related to the initial deformation or rigidity of the material. In practical applications, b can be adjusted to make the fitting curve closer to the experimental data points. 𝑐 represents the sensitivity of the displacement to pressure changes, controls the shape and slope of the curve, and reflects the nonlinear hardness characteristics or elastic / plastic characteristics of the material. Figure 2 This is an example of a force-displacement fitting curve.

[0075] In this embodiment, the fitting function is selected as the fitting function of the force and displacement data, which can effectively reflect the nonlinear response of the material during the loading process. The change in displacement has a nonlinear effect on the applied pressure, and the function can just capture this feature, thereby improving the fitting accuracy. This fitting method can accurately describe the mechanical response of the material during the simulation process, especially the special properties of glass materials, such as elastic deformation, plastic deformation, etc. The detailed mechanical properties of the glass under different loads can be obtained through fitting parameters, providing basic data for subsequent hardness calculations. This can not only improve the accuracy and reliability of the hardness test, but also avoid the errors and high costs in traditional experimental methods, improve test efficiency and save resources.

[0076] In one embodiment, the step of determining the target contact area of ​​the regular tetrahedron model according to the target maximum pressing force, the target curve slope and the edge length of the tetrahedron model includes:

[0077] Calculate the target penetration depth according to the target maximum penetration force and the target curve slope;

[0078] The target contact area of ​​the regular tetrahedron model is calculated according to the target indentation depth and the edge length of the regular tetrahedron model.

[0079] Specifically, the indentation depth of the target glass material is calculated based on the maximum indentation force and the slope of the fitting curve. The indentation depth is critical to understanding the hardness of the glass material and its degree of deformation. In this way, the response characteristics of the material can be understood more accurately. Once the indentation depth is determined, the contact area of ​​the regular tetrahedron model can be calculated by the edge length and geometric formula. The contact area reflects the actual pressure distribution on the glass model, which helps to calculate the hardness and evaluate the performance of the material under different loads.

[0080] In this embodiment, the hardness characteristics of the glass material at different indentation depths can be more accurately evaluated by calculation. The calculation of the contact area helps to further derive the hardness value, because the hardness itself is usually related to the pressure applied per unit area. By calculation, a more accurate hardness measurement can be provided without complicated experimental operations, and ultimately, the accuracy and reliability of the test are improved, while saving experimental costs and time, which has significant advantages in simulation and large-scale testing.

[0081] In one embodiment, the step of calculating the target penetration depth according to the target maximum penetration force and the target curve slope includes:

[0082] The target penetration depth is calculated using the following formula:

[0083]

[0084] in, Indicates the target penetration depth, Indicates the target maximum pressing force, Indicates the slope of the target curve.

[0085] in, It indicates the vertical depth when the regular tetrahedron model is pressed into the surface of the target glass material, reflecting the degree of deformation of the glass material when the indenter applies pressure; Indicates the maximum pressure applied to the glass during the test, reflecting the maximum external force that the glass material can withstand; It reflects the stiffness of the material in resisting deformation during loading.

[0086] In this embodiment, the formula provides a simple and effective method to calculate the indentation depth of the target glass material, which is directly related to the key parameters in the experiment, namely the maximum indentation force and the slope of the curve. The formula calculation can avoid the complex experimental operations required in traditional hardness testing, simplify the experimental process, reduce errors, and improve the accuracy and efficiency of the test.

[0087] In one embodiment, the step of calculating the target contact area of ​​the regular tetrahedron model according to the target indentation depth and the edge length of the regular tetrahedron model includes:

[0088] The target contact area is calculated using the following formula:

[0089]

[0090] in, represents the target contact area, represents the edge length of the regular tetrahedron model, Indicates the target penetration depth.

[0091] In this embodiment, the formula can accurately capture the actual contact situation of the glass surface, improve the accuracy of the hardness test, and avoid the errors that may occur in traditional experiments. By calculating the combination of contact area and maximum indentation force, the hardness characteristics of the glass material can be more accurately evaluated, while improving the test efficiency and saving time and resources.

[0092] In one embodiment, the step of calculating the hardness of the target glass material according to the target maximum indentation force and the target contact area includes:

[0093] The hardness of the target glass material is calculated using the following formula:

[0094]

[0095] in, Indicates the hardness of the target glass material, Indicates the target maximum pressing force, Represents the target contact area.

[0096] In this embodiment, the hardness of the target glass material is calculated by the formula, and the compressive resistance of the glass material under the maximum indentation force can be accurately measured. Compared with the traditional hardness test method, this method has higher accuracy and reliability, and can effectively avoid the interference of human factors and experimental errors. By combining the maximum indentation force and the contact area to calculate the hardness, not only the accuracy of the test is improved, but also the cost and time are greatly saved, and the tedious experimental process is avoided. At the same time, this method also improves the efficiency and repeatability of the test, and can quickly obtain the hardness value, which is suitable for large-scale quality control and material evaluation.

[0097] In one example, the maximum error between the glass hardness value predicted by the method provided by the present invention and the actual measured value is only 8.73%. Compared with the existing methods, the method provided by the present invention can predict the elastic modulus value relatively accurately, which verifies the effectiveness of the method.

[0098]

[0099] The following is a description of the glass material hardness detection device based on molecular dynamics provided in the embodiment of the present application. The glass material hardness detection device based on molecular dynamics described below and the glass material hardness detection method based on molecular dynamics described above can be referred to each other. Figure 3 As shown, the present application provides a glass material hardness detection device based on molecular dynamics, the device comprising:

[0100] The model building module 201 is used to determine the target glass material and its target calculation parameters, and to build a target glass model according to the target glass material, and to build a regular tetrahedron model;

[0101] The target fitting curve determination module 202 is used to simulate the interaction between the regular four-pole model and the target glass model using a molecular dynamics algorithm according to the target calculation parameters to obtain force and displacement data, and fit the force and displacement data to obtain a target fitting curve;

[0102] A target curve slope determination module 203 is used to determine a target maximum penetration depth and a target maximum penetration force according to a target fitting curve, and to determine a target curve slope according to the target maximum penetration depth;

[0103] The glass material hardness calculation module 204 is used to determine the target contact area of ​​the regular tetrahedron model according to the target maximum indentation force, the target curve slope and the edge length of the tetrahedron model, and calculate the hardness of the target glass material according to the target maximum indentation force and the target contact area.

[0104] In one embodiment, the target calculation parameters include calculation temperature, time step, potential, loading rate, and unloading rate.

[0105] In one embodiment, the target fitting curve determination module 202 includes:

[0106] The data fitting unit is used to fit the force and displacement data using the following fitting function:

[0107]

[0108] Wherein, a, b and c represent fitting parameters, x represents the depth of the regular tetrahedron model pressed into the target glass model, i.e., displacement, and y represents the pressure exerted by the regular tetrahedron model on the target glass model.

[0109] In one embodiment, the glass material hardness calculation module 204 includes:

[0110] A target penetration depth calculation unit, used for calculating a target penetration depth according to a target maximum penetration force and a target curve slope;

[0111] The target contact area calculation unit is used to calculate the target contact area of ​​the regular tetrahedron model according to the target indentation depth and the edge length of the regular tetrahedron model.

[0112] In one embodiment, the target penetration depth calculation unit includes:

[0113] The target penetration depth calculation subunit is used to calculate the target penetration depth using the following formula:

[0114]

[0115] in, Indicates the target penetration depth. represents the target maximum pressing force, Indicates the slope of the target curve.

[0116] In one embodiment, the target contact area calculation unit includes:

[0117] The target contact area calculation subunit is used to calculate the target contact area using the following formula:

[0118]

[0119] in, represents the target contact area, represents the edge length of the regular tetrahedron model, Indicates the target penetration depth.

[0120] In one embodiment, the glass material hardness calculation module 204 includes:

[0121] The glass material hardness calculation unit is used to calculate the hardness of the target glass material using the following formula:

[0122]

[0123] in, Indicates the hardness of the target glass material, Indicates the target maximum pressing force, Represents the target contact area.

[0124] In one embodiment, the present application also provides a storage medium, in which computer-readable instructions are stored. When the computer-readable instructions are executed by one or more processors, the one or more processors execute the steps of the glass material hardness detection method based on molecular dynamics as described in any of the above embodiments.

[0125] In one embodiment, the present application also provides a computer device, in which computer-readable instructions are stored. When the computer-readable instructions are executed by one or more processors, the one or more processors execute the steps of the glass material hardness detection method based on molecular dynamics as described in any of the above embodiments.

[0126] Indicatively, Figure 4 As shown, Figure 4 This is a schematic diagram of the internal structure of a computer device provided in an embodiment of the present application. The computer device 300 may be provided as a server. Figure 4 The computer device 300 includes a processing component 302, which further includes one or more processors, and a memory resource represented by a memory 301, for storing instructions that can be executed by the processing component 302, such as an application. The application stored in the memory 301 may include one or more modules, each corresponding to a set of instructions. In addition, the processing component 302 is configured to execute instructions to perform the glass material hardness detection method based on molecular dynamics according to any of the above embodiments.

[0127] The computer device 300 may further include a power supply component 303 configured to perform power management of the computer device 300, a wired or wireless network interface 304 configured to connect the computer device 300 to a network, and an input / output (I / O) interface 305. The computer device 300 may operate based on an operating system stored in the memory 301, such as Windows Server TM, Mac OS X TM, Unix TM, Linux TM, Free BSD TM, or the like.

[0128] Those skilled in the art will understand that Figure 4The structure shown in the figure is only a block diagram of a part of the structure related to the solution of the present application, and does not constitute a limitation on the computer device to which the solution of the present application is applied. The specific computer device may include more or fewer components than those shown in the figure, or combine certain components, or have a different arrangement of components.

[0129] Finally, it should be noted that, in this article, relational terms such as first and second, etc. are only used to distinguish one entity or operation from another entity or operation, and do not necessarily require or imply that there is any such actual relationship or order between these entities or operations. Moreover, the term "include", "comprise" or any other variant thereof is intended to cover non-exclusive inclusion, so that the process, method, article or equipment including a series of elements not only includes those elements, but also includes other elements not clearly listed, or also includes elements inherent to such process, method, article or equipment. In the absence of more restrictions, the elements defined by the sentence "including one..." do not exclude the existence of other identical elements in the process, method, article or equipment including the elements. Herein, "one", "one", "said", "the" and "it" may also include plural forms, unless the context clearly indicates another way. A plurality refers to at least two cases, such as 2, 3, 5 or 8, etc. "And / or" includes any and all combinations of the relevant listed items.

[0130] The various embodiments in this specification are described in a progressive manner, and each embodiment focuses on the differences from other embodiments. The various embodiments can be combined as needed, and the same or similar parts can refer to each other.

[0131] The above description of the disclosed embodiments enables those skilled in the art to implement or use the present application. Various modifications to these embodiments will be apparent to those skilled in the art, and the general principles defined herein may be implemented in other embodiments without departing from the spirit or scope of the present application. Therefore, the present application will not be limited to the embodiments shown herein, but will conform to the widest scope consistent with the principles and novel features disclosed herein.

Claims

1. A method for testing the hardness of glass materials based on molecular dynamics, characterized in that: The method comprises: Determine a target glass material and its target calculation parameters, and establish a target glass model according to the target glass material, and establish a regular tetrahedron model; According to the target calculation parameters, a molecular dynamics algorithm is used to simulate the interaction between the regular four-pyramid model and the target glass model to obtain force and displacement data, and the force and displacement data are fitted to obtain a target fitting curve; Determining a target maximum penetration depth and a target maximum penetration force according to the target fitting curve, and determining a target curve slope according to the target maximum penetration depth; The target contact area of ​​the regular tetrahedron model is determined according to the target maximum indentation force, the target curve slope and the edge length of the tetrahedron model, and the hardness of the target glass material is calculated according to the target maximum indentation force and the target contact area.

2. The method for detecting hardness of glass materials based on molecular dynamics according to claim 1, characterized in that: The target calculation parameters include calculation temperature, time step, action potential, loading rate and unloading rate.

3. The method for detecting hardness of glass material based on molecular dynamics according to claim 1, characterized in that: The step of fitting the force and displacement data comprises: The force and displacement data were fitted using the following fitting function: Wherein, a, b and c represent fitting parameters, x represents the depth of the regular tetrahedron model pressed into the target glass model, that is, the displacement, and y represents the pressure exerted by the regular tetrahedron model on the target glass model.

4. The method for detecting hardness of glass materials based on molecular dynamics according to claim 1, characterized in that: The step of determining the target contact area of ​​the regular tetrahedron model according to the target maximum pressing force, the target curve slope and the edge length of the tetrahedron model comprises: Calculating a target penetration depth according to the target maximum penetration force and the target curve slope; The target contact area of ​​the regular tetrahedron model is calculated according to the target indentation depth and the edge length of the regular tetrahedron model.

5. The method for detecting hardness of glass material based on molecular dynamics according to claim 4, characterized in that: The step of calculating the target penetration depth according to the target maximum penetration force and the target curve slope comprises: The target penetration depth is calculated using the following formula: in, Indicates the target penetration depth, represents the target maximum pressing force, represents the slope of the target curve.

6. The method for testing the hardness of glass materials based on molecular dynamics according to claim 4, characterized in that: The step of calculating the target contact area of ​​the regular tetrahedron model according to the target indentation depth and the edge length of the regular tetrahedron model comprises: The target contact area is calculated using the following formula: in, represents the target contact area, represents the edge length of the regular tetrahedron model, Indicates the target penetration depth.

7. The method for detecting hardness of glass material based on molecular dynamics according to claim 1, characterized in that: The step of calculating the hardness of the target glass material according to the target maximum pressing force and the target contact area comprises: The hardness of the target glass material is calculated using the following formula: in, represents the hardness of the target glass material, represents the target maximum pressing force, represents the target contact area.

8. A glass material hardness detection device based on molecular dynamics, characterized in that: The device comprises: A model building module, used to determine a target glass material and its target calculation parameters, and to build a target glass model according to the target glass material, and to build a regular tetrahedron model; A target fitting curve determination module is used to simulate the interaction between the regular four-pyramid model and the target glass model using a molecular dynamics algorithm according to the target calculation parameters to obtain force and displacement data, and fit the force and displacement data to obtain a target fitting curve; A target curve slope determination module, used to determine a target maximum penetration depth and a target maximum penetration force according to the target fitting curve, and to determine a target curve slope according to the target maximum penetration depth; The glass material hardness calculation module is used to determine the target contact area of ​​the regular tetrahedron model according to the target maximum indentation force, the target curve slope and the edge length of the tetrahedron model, and calculate the hardness of the target glass material according to the target maximum indentation force and the target contact area.

9. A storage medium, characterized in that: The storage medium stores computer-readable instructions, and when the computer-readable instructions are executed by one or more processors, the one or more processors execute the steps of the glass material hardness detection method based on molecular dynamics as described in any one of claims 1 to 7.

10. A computer device, characterized in that: include: one or more processors, and memory; The memory stores computer-readable instructions, and when the computer-readable instructions are executed by the one or more processors, the steps of the glass material hardness detection method based on molecular dynamics as claimed in any one of claims 1 to 7 are performed.

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