A simulation test method and device for laser-assisted cutting tool wear
By simulating plasma bombardment of cutting tools using molecular dynamics simulation, the problem of measuring plasma velocity and temperature in ultra-precision cutting was solved, providing simulation testing methods and analysis tools for tool wear and revealing the wear patterns.
Patent Information
- Application Number
- CN202511793945.8
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- Filing Date
- 2025-12-02
- Publication Date
- 2026-02-03
- Estimated Expiration
- 2045-12-02
AI Technical Summary
In ultra-precision cutting processes, the bombardment speed of plasma and the temperature of the machining area are difficult to measure. The actual flight speed is extremely high, making it impossible to measure accurately, which makes it difficult to study the impact of plasma on tool wear.
Molecular dynamics simulation was employed, and a tool material model was established using the LAMMPS language. System boundary conditions and interatomic interaction potential functions were set to simulate plasma bombardment of the tool material. Atomic and thermodynamic parameters were output, and modeling and visualization analysis were performed using Material Studio and OVITO.
Accurate simulation testing of plasma bombardment tool wear was achieved, revealing the influence of flight speed on tool wear and providing a tool for wear mechanism analysis.
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Figure CN121234628B_ABST
Abstract
Description
Technical Field
[0001] This invention relates to the fields of numerical simulation and ultra-precision machining technology, and specifically discloses a simulation test method and device for laser-assisted cutting tool wear. Background Technology
[0002] Laser-assisted ultra-precision machining technology can achieve thermal softening of workpiece materials, significantly reducing their hardness and thus minimizing mechanical wear on diamond tools, achieving nanoscale surface roughness. Laser-assisted machining is divided into laser preheating and laser in-situ heating. Laser preheating involves focusing the laser beam in front of the cutting deformation area, preheating and softening the material before it is removed by the tool. Laser in-situ heating involves directly heating the cutting area through a transparent tool. During laser-assisted ultra-precision machining, the laser irradiation on the workpiece material excites plasma. Depending on the laser power, the plasma's velocity can reach 1×10⁴~3×10⁴ m / s. The high-speed impact of this plasma creates strong plasma that causes tool wear. The laser-induced plasma eventually decomposes into molecules or atoms, forming ions. Therefore, ions play a dominant role in plasma bombardment of the tool material. However, during ultra-precision cutting, the plasma's bombardment velocity and the temperature of the machining area are difficult to measure accurately due to their extremely high speed. Therefore, studying the impact of plasma bombardment on tool wear through actual ultra-precision cutting experiments is very challenging.
[0003] Molecular dynamics (MD) simulation is a deterministic numerical simulation method operating at the atomic scale, using Newtonian mechanics principles to simulate the motion of particle systems. Through MD simulation, information such as the position, acceleration, and velocity of atoms in the system can be obtained, and corresponding macroscopic information can be derived based on statistical physics. Therefore, MD can study material removal mechanisms at the atomic level and plays an important role in the field of ultra-precision machining. Although there are differences between MD simulation and experiment in terms of time and length scales, for the fundamental properties of some materials that are not sensitive to time and length scales, MD simulation and experimental results can agree well. With the continuous improvement of interatomic interaction potentials, MD simulation has been successfully used to study the ultra-precision cutting process of diamond tools. One research team used MD simulation to construct a nanoscale friction system and studied the wear behavior and temperature changes of the indenter when a diamond indenter scrapes a titanium matrix. Another research team used MD simulation technology to study the wear mechanism of single-crystal diamond tools in the nanomachining of copper-beryllium (CuBe). Past research has shown that MD simulation can be used to study the atomic-level microstructure and removal mechanisms of materials, simulating the process of ion bombardment and thermal recombination, thus meeting the interaction requirements of the ion bombardment process. Therefore, MD technology provides a reasonable explanation for the mechanism of plasma-induced lattice changes and amorphization transformation of the tool in laser-assisted ultra-precision processes. Summary of the Invention
[0004] To address the challenges of measuring plasma bombardment velocity and machining zone temperature during ultra-precision cutting processes in existing technologies, particularly the extremely high actual plasma speeds that make accurate measurement impossible, this invention provides a simulation testing method for laser-assisted cutting tool wear, comprising the following steps:
[0005] S1: Create a tool material model using the LAMMPS language;
[0006] S2: Set system boundary conditions to ensure that the units of physical quantities and boundary conditions are consistent, and to guarantee the accuracy and comparability of the simulation; establish an ion cluster model directly above the tool material model established in S1, set the center position and radius of the ion cluster, so that the distance between the center of the ion cluster and the upper surface of the tool material is on the order of nanometers; set the interaction potential function between atoms to describe the interaction between atoms, and ensure that the simulation results conform to the actual physical process.
[0007] S3: The initial model set in S1 is layered, with Newtonian layer, isothermal layer and fixed layer set, and ensemble group is set together. The integration time step and total relaxation time are set. The model is brought to a steady state by using the conjugate gradient method and isothermal and isochoric ensemble relaxation system model, in preparation for subsequent operations.
[0008] S4: Set the incident angle and velocity of the ion clusters, output the atomic parameters, thermodynamic parameters and visualization images of the ion clusters bombarding the tool material, and perform subsequent analysis and result verification.
[0009] Preferably, S1 includes the following steps: establishing a cubic system model, inputting the dimensions of the tool material into the system model, setting the atomic composition, crystal structure and its crystal constant of the tool material, and filling it with atoms.
[0010] Preferably, setting system boundary conditions in S2 includes the following steps: the boundary layer of the tool material is fixed, periodic boundary conditions are applied in the xy direction of the system model to mitigate the boundary effect caused by finite dimensions, while fixed boundary conditions are applied in the z direction.
[0011] Preferably, in step S2, the step of forming ion clusters involves: setting the filling region of metal ions to be spherical, determining the center position and radius of the sphere, the distance from the center of the sphere to the upper surface of the tool material being the distance at which the ion cluster bombards the substrate material, and the radius of the sphere determining the number of ions filling the ion cluster.
[0012] Preferably, in S2, the interaction potential function between atoms is set as follows: the interaction potential between carbon atoms in a diamond tool is the Tersoff potential, the interaction potential between atoms of each ion group is generally selected as the Eam potential, Meam potential or Tersoff potential, and the interaction potential between ion group atoms and carbon atoms is the Lennard-Jones potential.
[0013] Preferably, the steps in S3 for setting the Newtonian layer, isothermal layer, and fixed layer are as follows: The layers are set from top to bottom as Newtonian layer, isothermal layer, and fixed layer, and the height value of each layer is set. The velocity of the fixed layer is set to 0, and no external force is applied. The isothermal layer absorbs excess heat generated during bombardment, thereby maintaining the system temperature within a reasonable range. Initial and final temperatures are set for the Newtonian layer and the isothermal layer. The conjugate gradient method and isothermal and isochoric ensemble are used to maintain the system isothermal and keep the atomic number and volume of these two layers constant. The integration time step and the total relaxation time are set, and the relaxation process continues until the system reaches equilibrium.
[0014] Preferably, in step S3, an isothermal and isochoric ensemble is selected during the system equilibrium phase, an isoenergy ensemble is used during plasma bombardment, and a velocity calibration method is used to control the system temperature.
[0015] Preferably, the specific details of the iteration range in S3 are as follows: during the energy contraction phase, the atomic interaction force is set to iterate around 3.5 Å to maintain the stability of the interaction process and prevent system collapse.
[0016] Preferably, the process of releasing the isothermal setting of the Newtonian layer in S4 includes the following steps: setting the Newtonian layer as the main region for atomic energy transfer while keeping the number and volume of atoms in the ensemble constant.
[0017] Preferably, the specific details of adjusting the incident angle and bombardment speed in S4 are as follows: the incident angle is determined by setting the bombardment speed of the ion cluster in the x and y directions, and the bombardment speed is determined by setting the bombardment speed in the z direction. Setting the x and y directions to 0 and the z direction to a negative number means bombardment perpendicular to the direction of the tool material.
[0018] Preferably, the S5 atomic parameters, thermodynamic parameters, and visualization image are as follows: atomic parameters include atomic potential energy, kinetic energy, atomic stress, and displacement; thermodynamic parameters include step size, temperature, kinetic energy, and potential energy.
[0019] A simulation testing device for laser-assisted cutting tool wear is provided, and the simulation testing method described above is used for testing.
[0020] By adopting the above scheme, the present invention has the following advantages and beneficial effects: To address the problem in existing technologies where the bombardment velocity of plasma and the temperature of the machining area are difficult to measure during ultra-precision cutting, and the actual flight speed is extremely high, making accurate measurement impossible, the present invention specifically provides a simulation testing method for laser-assisted cutting tool wear. This method utilizes various simulation-related software, including LAMMPS, Material Studio, and OVITO. LAMMPS, as the primary simulation tool, supports large-scale atomic / molecular parallel simulation and is suitable for various simulation techniques such as molecular dynamics. Material Studio provides rich modeling and analysis tools for constructing crystal models and setting lattice parameters. OVITO is used for visualization and post-processing analysis, and is particularly suitable for the visualization needs of molecular dynamics simulations. Attached Figure Description
[0021] Figure 1 A simulation flowchart provided for an embodiment of the present invention;
[0022] Figure 2 A simulation model diagram of an iron plasma bombardment diamond tool provided in an embodiment of the present invention;
[0023] Figure 3 Simulation process diagram of iron plasma cluster bombarding diamond tool provided for embodiments of the present invention: (a) bombardment model (b) bombardment process (c) bombardment result;
[0024] Figure 4 The relationship between the amorphized region and the flight velocity after iron ion clusters bombard a diamond tool is provided in the embodiments of the present invention: (ae) The amorphized region changes with the flight velocity;
[0025] Figure 5 A schematic diagram showing the change in width and depth of the amorphized region as a function of flight speed after iron ion clusters bombard a diamond tool, as provided in an embodiment of the present invention.
[0026] Figure 6 This is a schematic diagram showing the change in the number of amorphous carbon atoms in the amorphous region of a diamond tool after being bombarded by iron ion clusters, as provided in an embodiment of the present invention, as a function of flight velocity.
[0027] Figure 7 A top view of the amorphized region after iron ion clusters bombard a diamond tool, provided in an embodiment of the present invention: (ae) different flight speeds. Detailed Implementation
[0028] To make the objectives, technical solutions, and advantages of the embodiments of the present invention clearer, the technical solutions of the embodiments of the present invention will be clearly and completely described below with reference to the accompanying drawings. Obviously, the described embodiments are only a part of the embodiments of the present invention, not all of them. Based on the embodiments of the present invention, all other embodiments obtained by those skilled in the art without creative effort are within the scope of protection of the present invention. Therefore, the following detailed description of the embodiments of the present invention provided in the accompanying drawings is not intended to limit the scope of the claimed invention, but merely to represent selected embodiments of the invention. Based on the embodiments of the present invention, all other embodiments obtained by those skilled in the art without creative effort are within the scope of protection of the present invention.
[0029] In the description of this invention, it should be understood that the terms "center," "longitudinal," "lateral," "length," "width," "thickness," "upper," "lower," "front," "rear," "left," "right," "vertical," "horizontal," "top," "bottom," "inner," "outer," "clockwise," and "counterclockwise," etc., indicate the orientation or positional relationship based on the orientation or positional relationship shown in the accompanying drawings. They are only for the convenience of describing this invention and simplifying the description, and do not indicate or imply that the device or element referred to must have a specific orientation, or be constructed and operated in a specific orientation. Therefore, they should not be construed as limitations on this invention.
[0030] Furthermore, the terms "first" and "second" are used for descriptive purposes only and should not be construed as indicating or implying relative importance or implicitly specifying the number of technical features indicated. Thus, a feature defined as "first" or "second" may explicitly or implicitly include one or more of that feature. In the description of this invention, "a plurality of" means two or more, unless otherwise explicitly specified.
[0031] In this invention, unless otherwise explicitly specified and limited, the terms "installation," "connection," "linking," and "fixing," etc., should be interpreted broadly. For example, they can refer to a fixed connection, a detachable connection, or an integral connection; they can refer to a mechanical connection or an electrical connection; they can refer to a direct connection or an indirect connection through an intermediate medium; and they can refer to the internal connection of two components. Those skilled in the art can understand the specific meaning of the above terms in this invention according to the specific circumstances.
[0032] The preferred embodiments of the present invention will be described in detail below with reference to the accompanying drawings, so that the advantages and features of the present invention can be more easily understood by those skilled in the art, thereby providing a clearer and more explicit definition of the scope of protection of the present invention.
[0033] Referring to the attached diagram in the instruction manual, a molecular dynamics simulation test method for laser-assisted ultra-precision cutting tool wear is described. During laser-assisted ultra-precision cutting of ferrous metals, laser irradiation on the workpiece excites the generation of iron plasma. A simulation model of the diamond tool and iron plasma is established using molecular dynamics simulation software. The influence of different flight velocities on the amorphization morphology of the bombarded region on the diamond surface is simulated and studied. Post-processing software is used to analyze the amorphization transformation of carbon atoms on the diamond surface after bombardment by iron plasma under different simulation parameters. The width, depth, and number of amorphous carbon atoms in the amorphous region are calculated and analyzed using the model theory to analyze the wear mechanism of plasma on the diamond tool during ultra-precision cutting. The simulation process is as follows: Figure 1 As shown, the simulation method includes model building, simulation parameter setting, simulation execution, and result post-processing. The specific steps are as follows:
[0034] Step 1: Model Building. In this stage, the atomic system model of the diamond tool is built using Material Studio, or a cubic system model is created and filled with atoms using the `create_box` statement in the LAMMPS command code. Using Material Studio for modeling can improve modeling efficiency through its graphical interface and rich modeling tools;
[0035] Furthermore, the specific details of the atomic system model construction in step 1 are as follows: A larger cubic system model with dimensions of 78.90 Å × 78.90 Å × 138.50 Å is constructed. In this setup, the diamond has dimensions of 78.90 Å × 78.90 Å × 78.45 Å. Diamond cutting tools are composed of carbon atoms with a diamond structure and a lattice constant of 3.566 Å.
[0036] Step 2: Based on the prerequisites set in Step 1. Determine that the simulation dimension is three-dimensional and set the units, such as distance in Å, time in ps, temperature in K, pressure in bar, and molar mass in g / mol. Simultaneously, set the system boundary conditions and charge to ensure consistency in physical quantity units and boundary conditions, guaranteeing simulation accuracy and comparability.
[0037] Furthermore, the specific details of setting the system boundary conditions in step 2 are as follows: To prevent overall rigid movement, the boundary layer of the diamond tool is fixed. Periodic boundary conditions are applied in the xy direction of the system model to mitigate the boundary effects caused by finite dimensions, while fixed boundary conditions are applied in the z direction.
[0038] Step 3: Construction of iron ion clusters based on Steps 1 and 2. The model constructed in MaterialStudio is imported using the LAMMPS command code, and iron ions are added outside the model to form iron ion clusters. The characteristics of the iron ion clusters are determined by setting the lattice constant and atomic mass, and the center position and radius of the spheres are adjusted.
[0039] Furthermore, the specific details of the transformation of iron ions into iron ion clusters in step 3 are as follows: Based on the research of the system model, the filling region of iron ions is set as a sphere using the region statement, with the center position of the sphere being (40.35, 40.35, 90.00) and the radius of the sphere being 4.5 Å. This constructs an iron ion cluster bombardment tool material composed of 34 iron ions. The lattice structure of the iron ion cluster is a body-centered cubic (BCC) structure with a normal distance of 10 Å, and it tends to be structurally stable after relaxation.
[0040] Step 4: Based on the atomic interaction force settings in Steps 1-3. Set the interaction potential functions between atoms, such as the Tersoff potential, Eam potential, or Meam potential, as well as the Lennard-Jones potential, to describe the interactions between atoms and ensure that the simulation results match the actual physical processes;
[0041] Furthermore, the specific details of the interaction potential function in step 4 are as follows:
[0042] (1) The Tersoff potential is chosen to describe the interaction behavior between carbon atoms in diamond. This potential function has been effectively applied in studies such as phase transitions in diamond. The formula for calculating the atomic potential energy of the entire system is as follows:
[0043] (1)
[0044] (2)
[0045] In the formula, where E It is the total energy of the system. It is the distance between two atoms. , and These represent the cutoff function, repulsive pair potential, and attractive pair potential, respectively. δ It is the displacement of the equilibrium bond length.
[0046] (2) Choose either the Eam or Meam potential to describe the interaction behavior between iron atoms. The formula for calculating the atomic potential energy of the entire system for either the Eam or Meam potential function is as follows:
[0047] (3)
[0048] In the formula, F For atoms i The embedding energy is the atomic electron density. The function, For atoms i and atoms j The interaction potential is the cutoff radius. The function.
[0049] (3) The LJ potential is chosen to describe the interaction behavior between iron and carbon atoms. The formula for calculating the atomic potential energy of the entire system using the LJ potential function is as follows:
[0050] (4)
[0051] In the formula, A potential well is a feature that characterizes the strength of the interatomic interaction potential. r ij Represents atoms i and j The distance between them σ This represents the interatomic distance when the interaction potential is 0. The specific parameters of the LJ potential function are shown in Table 1, with a cutoff distance of 12 Å for all parameters.
[0052] Table 1. Specific parameters of the Lennard-Jones (LJ) potential function.
[0053]
[0054] Step 5: Based on the joint ensemble of Steps 1-4. The initial model set in Step 1 is layered, with Newtonian layer, isothermal layer, and stationary layer defined, and a joint ensemble group is set to maintain system stability;
[0055] Furthermore, the specific details of the Newton layer, the isothermal layer, and the fixed layer in step 5 are as follows: from top to bottom, they are set as the Newton layer, the isothermal layer, and the fixed layer, with the fixed layer height set to 19.00 Å, the isothermal layer height to 18.00 Å, and the Newton layer height to 78.45 Å. Figure 2 The model configuration is shown. The fixed layer velocity is set to 0, and no external force is applied. The role of the isothermal layer is to absorb excess heat generated during bombardment, thereby keeping the system temperature within a reasonable range. The system energy is minimized using the conjugate gradient method (cg), eliminating unreasonable structures in the model. An isothermal and isochoric ensemble (NVT) is used, setting the system temperature of the Newtonian layer and the isothermal layer to 300 K, and controlling the system temperature to maintain the set actual machining temperature (almost no temperature rise during ultra-precision cutting). The atomic number and volume of these two layers are kept constant, the integration time step is set to 1 fs, and the total relaxation time continues until the system reaches equilibrium.
[0056] Furthermore, the specific details of the joint ensemble setup in step 5 are as follows: During the system balancing phase, an isothermal-isochoric ensemble (NVT) is selected, while an isoenergetic ensemble (NVE) is used during plasma bombardment. A velocity calibration method is employed to control the system temperature. Specifically, during bombardment, the temperature of the isothermal layer is consistently maintained at the set actual processing temperature. In the NVE ensemble, the ferric ion clusters and the Newtonian layer are jointly configured as the ensemble group. The ferric ion clusters are given a downward vertical velocity to aim at the tool material, and multiple bombardment simulations are performed by changing the initial ion velocity.
[0057] Step 6: Based on the energy contraction in steps 1-5, iteratively adjust the range of interatomic interaction forces to maintain system stability and prevent energy runaway;
[0058] Furthermore, the specific details of the iteration range in step 6 are as follows: During the energy contraction phase, the neighbor statement is used to set the atomic interaction force to iterate around 3.5 Å in order to maintain the stability of the interaction process and prevent system collapse.
[0059] Step 7: Deactivate the isothermal setting of the Newtonian layer as described in Steps 1-6. Deactivate the isothermal setting of the Newtonian layer in Step 6, adjust the control parameters for energy transfer, and maintain system stability;
[0060] Furthermore, the specific details of releasing the isothermal setting of the Newtonian layer in step 7 are as follows: The Newtonian layer is set as the main region for atomic energy transfer, while keeping the number and volume of atoms in the ensemble constant. Each step is iterated within a time range of 0.00000001 to 0.001 ps to ensure uniform heat transfer in the system.
[0061] Step 8: Based on the incident angle and bombardment velocity of the iron ion clusters obtained in Steps 1-7. By adjusting the incident angle and flight velocity, explore the motion behavior of the iron ion clusters in the simulation;
[0062] Furthermore, the specific details of adjusting the incident angle and bombardment velocity in step 8 are as follows: the incident angle is determined by setting the surface bombardment velocity of the iron ion cluster in the x and y directions, and the bombardment velocity is determined by setting the surface bombardment velocity in the z direction. The x and y directions are set to 0, and the z direction is set to... At a speed of 100 Å / ps, iron ion clusters bombard the tool material vertically downwards at a speed of 10,000 m / s.
[0063] Step 9: Based on the output stages of steps 1-8. Output atomic parameters, thermodynamic parameters, and visualization images, record key information, and conduct subsequent analysis and result verification.
[0064] Furthermore, the specific details of the atomic parameters, thermodynamic parameters, and visualization images in step 9 are as follows: Atomic parameters include atomic potential energy, kinetic energy, atomic stress, and displacement; thermodynamic parameters include step size, temperature, kinetic energy, and potential energy. Visualization image parameters include the sequence number, type, and xyz coordinates of each atom. Data filtering and analysis using OVITO software reveals the width, depth, and number of amorphous oxygen atoms in the amorphous region after iron ions bombard the diamond tool surface under different simulation parameters.
[0065] In this embodiment of the invention, the molecular dynamics simulation parameters used are shown in Table 2. Figure 3 In diamond cutting, amorphous pits appear on the bombarded areas of the diamond surface. The depth and width of the amorphous region directly affect the depth and width of wear on the diamond cutting tool.
[0066] Table 2 Model parameters in molecular dynamics simulation
[0067]
[0068] To investigate the effect of flight velocity on the depth and width of wear on diamond tools, this embodiment sets the flight velocity in the bombardment model to 10000 m / s, 15000 m / s, 20000 m / s, 25000 m / s, and 30000 m / s, respectively. Diamond tools were bombarded with iron ion clusters at different flight velocities. Visualization images were obtained using OVITO software, and the width, depth, and number of amorphous carbon atoms in the amorphous region were calculated. The simulation results are as follows: Figure 4-6 As shown, it can be observed that as the flight speed gradually increases from 10,000 m / s to 30,000 m / s, the depth and width of the amorphous region inside the diamond generally show a gradual increasing trend. Specifically, the depth of the amorphous region expands from 1.0 nm to 2.1 nm, and the width expands from 3.4 nm to 4.8 nm, then decreases to 4.5 nm. Figure 6As can be seen, the number of amorphous carbon atoms induced by the bombardment increases with the increase of the iron ion bombardment velocity, reflecting that the volume of the amorphous region increases with the increase of the bombardment velocity. Therefore, based on the simulation results, it can be inferred that in actual cutting processes, the wear of diamond tools will become more severe with the increase of plasma bombardment velocity.
[0069] Top view of the amorphous region after iron ion clusters bombard diamond, as shown in the figure. Figure 7 As shown, the results indicate that at lower flight speeds, the edge contour of the amorphous region is discontinuous and fragmented throughout the region, and the wear area of the diamond tool tends to radiate outward from the center point. As the flight speed increases, the amorphous region becomes more focused and concentrated, and the area of the amorphous region gradually increases, indicating that the wear area of the diamond tool is more concentrated and the wear area is larger. Flight speed is one of the factors affecting the wear of diamond tools.
[0070] The above description represents the preferred embodiments of the present invention. It should be noted that those skilled in the art can make various improvements and modifications without departing from the principles of the present invention, and these improvements and modifications are also considered to be within the scope of protection of the present invention.
Claims
1. A simulation test method for laser-assisted cutting tool wear, characterized in that, Includes the following steps: S1: Establish a tool material model using the LAMMPS language, including the following steps: establish a cubic system model, input the dimensions of the tool material into the system model, set the atomic composition, crystal structure and its crystal constant of the tool material, and fill in the atoms; S2: Set system boundary conditions to ensure that the units of physical quantities and boundary conditions are consistent, and to ensure the accuracy and comparability of the simulation; establish an ion cluster model directly above the tool material model established in S1, and set the position and radius of the ion cluster's center so that the distance between the ion cluster's center and the upper surface of the tool material is on the order of nanometers. The interaction potential function between atoms is set to describe the interaction between atoms and ensure that the simulation results conform to the actual physical process. The setting of system boundary conditions includes the following steps: the boundary layer of the tool material is fixed, periodic boundary conditions are applied in the xy direction of the system model to reduce the boundary effect caused by the finite dimension, while a fixed boundary condition is applied in the z direction. The interaction potential function between atoms is set as follows: the interaction potential between carbon atoms in the diamond tool is the Tersoff potential, the interaction potential between each ion group atom is the Eam potential, Meam potential or Tersoff potential, and the interaction potential between ion group atom and carbon atom is the Lennard-Jones potential. S3: The initial model set in S1 is layered into Newtonian layer, isothermal layer and fixed layer, and an ensemble group is set together. The integration time step and total relaxation time are set. The system model is relaxed to a stable state by using the conjugate gradient method and isothermal and isochoric ensemble to prepare for subsequent operations. The steps of setting Newtonian layer, isothermal layer and fixed layer are as follows: set Newtonian layer, isothermal layer and fixed layer from top to bottom, and set the height value of each layer. The velocity of fixed layer is set to 0 and no external force is applied. The function of isothermal layer is to absorb the excessive heat generated during bombardment, so that the system temperature is kept within a reasonable range. The initial temperature and final temperature are set for Newtonian layer and isothermal layer. The conjugate gradient method and isothermal and isochoric ensemble are used to maintain the system isothermal and keep the number of atoms and volume of these two layers unchanged. The integration time step and total relaxation time are set. The relaxation process continues until the system reaches equilibrium. S4: Set the incident angle and velocity of the ion clusters. Output the atomic parameters, thermodynamic parameters and visualization images of the ion clusters bombarding the tool material for subsequent analysis and result verification. The specific adjustments to the incident angle and bombardment velocity are as follows: The incident angle is determined by setting the bombardment velocity in the x and y directions of the ion clusters, and the bombardment velocity is determined by setting the bombardment velocity in the z direction. Setting the x and y directions to 0 and the z direction to a negative number means bombardment perpendicular to the tool material.
2. The simulation test method for laser-assisted cutting tool wear according to claim 1, characterized in that, The step of forming ion clusters in S2 is as follows: the filling area of metal ions is set to be spherical, and the position of the center of the sphere and the radius of the sphere are determined. The distance from the center of the sphere to the upper surface of the tool material is the distance at which the ion cluster bombards the substrate material. The radius of the sphere determines the number of ions filling the ion cluster.
3. The simulation test method for laser-assisted cutting tool wear according to claim 1, characterized in that, In S3, an isothermal and isochoric ensemble is selected during the system equilibrium phase, an isoenergy ensemble is used during the plasma bombardment process, and a velocity calibration method is used to control the system temperature.
4. The simulation test method for laser-assisted cutting tool wear according to claim 1, characterized in that, The specific details of the iteration range in S3 are as follows: During the energy contraction phase, the atomic interaction force is set to iterate at 3.5 Å to maintain the stability of the interaction process and prevent system collapse.
5. The simulation test method for laser-assisted cutting tool wear according to claim 1, characterized in that, The process of releasing the isothermal setting of the Newtonian layer in S4 includes the following steps: setting the Newtonian layer as the main region for atomic energy transfer while keeping the number and volume of atoms in the ensemble constant.
6. The simulation test method for laser-assisted cutting tool wear according to claim 1, characterized in that, The S4 atomic parameters, thermodynamic parameters, and visualization images are as follows: atomic parameters include atomic potential energy, kinetic energy, atomic stress, and displacement; thermodynamic parameters include step size, temperature, kinetic energy, and potential energy.
7. A simulation testing device for laser-assisted cutting tool wear, characterized in that, The simulation test method described in any one of claims 1-6 was used for testing.
Citation Information
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