CN115008324B - Screening method and processing method of superhard material suitable for steering precise grinding - Google Patents
Screening method and processing method of superhard material suitable for steering precise grinding Download PDFInfo
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- CN115008324B CN115008324B CN202210570778.0A CN202210570778A CN115008324B CN 115008324 B CN115008324 B CN 115008324B CN 202210570778 A CN202210570778 A CN 202210570778A CN 115008324 B CN115008324 B CN 115008324B
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- B—PERFORMING OPERATIONS; TRANSPORTING
- B24—GRINDING; POLISHING
- B24B—MACHINES, DEVICES, OR PROCESSES FOR GRINDING OR POLISHING; DRESSING OR CONDITIONING OF ABRADING SURFACES; FEEDING OF GRINDING, POLISHING, OR LAPPING AGENTS
- B24B29/00—Machines or devices for polishing surfaces on work by means of tools made of soft or flexible material with or without the application of solid or liquid polishing agents
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- B—PERFORMING OPERATIONS; TRANSPORTING
- B24—GRINDING; POLISHING
- B24B—MACHINES, DEVICES, OR PROCESSES FOR GRINDING OR POLISHING; DRESSING OR CONDITIONING OF ABRADING SURFACES; FEEDING OF GRINDING, POLISHING, OR LAPPING AGENTS
- B24B3/00—Sharpening cutting edges, e.g. of tools; Accessories therefor, e.g. for holding the tools
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- B—PERFORMING OPERATIONS; TRANSPORTING
- B24—GRINDING; POLISHING
- B24B—MACHINES, DEVICES, OR PROCESSES FOR GRINDING OR POLISHING; DRESSING OR CONDITIONING OF ABRADING SURFACES; FEEDING OF GRINDING, POLISHING, OR LAPPING AGENTS
- B24B35/00—Machines or devices designed for superfinishing surfaces on work, i.e. by means of abrading blocks reciprocating with high frequency
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- B—PERFORMING OPERATIONS; TRANSPORTING
- B24—GRINDING; POLISHING
- B24B—MACHINES, DEVICES, OR PROCESSES FOR GRINDING OR POLISHING; DRESSING OR CONDITIONING OF ABRADING SURFACES; FEEDING OF GRINDING, POLISHING, OR LAPPING AGENTS
- B24B49/00—Measuring or gauging equipment for controlling the feed movement of the grinding tool or work; Arrangements of indicating or measuring equipment, e.g. for indicating the start of the grinding operation
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- G—PHYSICS
- G06—COMPUTING; CALCULATING OR COUNTING
- G06F—ELECTRIC DIGITAL DATA PROCESSING
- G06F30/00—Computer-aided design [CAD]
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- G06F2119/18—Manufacturability analysis or optimisation for manufacturability
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Abstract
The invention belongs to the field of ultra-precise machining, and discloses a screening method and a machining method of an ultra-hard material suitable for steering precise grinding, wherein the screening method comprises the following steps: predicting a possible single crystal polytype structure, optimizing to obtain a single crystal model, and calculating the mechanical property of the single crystal model; establishing a polycrystalline model by taking the monocrystalline model as a seed; and verifying and optimizing a potential function suitable for molecular dynamics simulation, performing molecular dynamics grinding simulation on the polycrystalline model, obtaining the association of the microstructure and the surface macroscopic property of the superhard material under grinding of single abrasive particles and multiple abrasive particles, and obtaining the association of the external processing parameters and the surface macroscopic property by changing grinding simulation processing parameters, thereby screening and obtaining the superhard material structure suitable for steering precise grinding and the easy grinding direction thereof. The invention reveals the surface generation mechanism of the superhard material under mechanical grinding through numerical simulation, provides a theoretical basis for steering grinding processing of the superhard material, and is suitable for processing ultra-precise superhard material cutters.
Description
Technical Field
The invention belongs to the technical field of ultra-precise machining, and particularly relates to a screening method and a machining method of superhard materials suitable for steering precise grinding.
Background
With the rapid development of modern processing and manufacturing industry, precision and ultra-precision processing technology is focused and greatly developed, and is an important mark for measuring the state-of-the-art and international competitiveness of the state-advanced manufacturing industry. Currently, development of ultra-precise numerical control machine tools has become a hot spot field. The cutter is used as one of the core components of the ultra-precise numerical control machine tool, and the performance of the cutter directly determines the machining precision. As a representative of superhard carbon materials, nano twin composite diamond (nanotwinned diamond composite, nt-D) has unprecedented hardness, toughness and thermal stability in diamond materials, the Nt-D Vickers hardness (Hv) of 200GPa is 2 times that of natural diamond, fracture toughness (K) Ic ) Up to 26.6MPa m 1/2 Is 5 times of natural diamond and is equivalent to hard alloy. In addition, the initial oxidation temperature of Nt-D is increased by about 210℃compared to natural diamond. These excellent properties suggest that Nt-D is expected to be an ultra-precise cutting tool with higher precision, higher thermal stability and longer life.
At present, the traditional unidirectional grinding process is adopted to manufacture the Nt-D cutter, the efficiency is low, the processing is difficult, the surface quality of the Nt-D after the processing is poor, the stress concentration at the grain boundary is obvious, and the cutter with proper shape, smooth surface and sharp edge cannot be obtained, which becomes the bottleneck for restricting the application of the Nt-D in the field of ultra-precise processing.
Disclosure of Invention
Aiming at the defects of the prior art, the invention aims to provide a screening method and a processing method of superhard materials suitable for steering precise grinding, and aims to solve the problems of low efficiency, difficult processing, poor surface quality of processed products and the like of the existing method for processing superhard materials by utilizing a unidirectional grinding process.
In order to achieve the above purpose, the invention provides a method for screening superhard materials suitable for steering precise grinding, which comprises the following steps:
s1.1, predicting a single crystal polytype structure of a superhard material possibly existing, optimizing various single crystal polytype structures to obtain a single crystal model, and calculating the mechanical property of the single crystal model;
s1.2, establishing a polycrystalline model of the superhard material by taking the established monocrystalline model as a seed;
s1.3, verifying and optimizing potential functions suitable for molecular dynamics simulation, then performing molecular dynamics grinding simulation on various established polycrystalline models, obtaining correlation between the internal microstructure and the surface macroscopic property of the superhard material under single-abrasive-grain and multi-abrasive-grain grinding, and obtaining correlation between external processing parameters and the surface macroscopic property by changing grinding simulation processing parameters, so that the superhard material suitable for steering precision grinding is obtained through screening, and the easy-grinding direction of the superhard material suitable for steering precision grinding is obtained.
Preferably, in step S1.1, a particle swarm optimization algorithm is used to predict a possible single crystal polytype structure, and a first sexual principle based on a density functional theory is used to calculate an optimized predicted single crystal polytype structure.
Preferably, in step S1.1, the mechanical properties of the single crystal model are calculated specifically as follows: and carrying out strain loading on the single crystal model to obtain information including ideal strength, energy change, atomic motion and fracture recombination condition of chemical bonds of the single crystal model when being stressed.
Preferably, in step S1.2, a polycrystalline model is built using a taisen polygon algorithm.
Preferably, in step S1.3, the potential functions suitable for molecular dynamics simulation include teroff potential, c.lcbop potential and ch.airebo potential.
Preferably, in step S1.3, the method for verifying and optimizing the potential function is to compare the interfacial energy, the surface energy, the stacking fault energy, the twin crystal energy, the susceptance force and the shear strain stress relationship of the monocrystalline model established by the first sexual principle calculation and the molecular dynamics simulation calculation, screen or correct the potential function, and obtain the potential function suitable for the molecular dynamics grinding simulation.
According to another aspect of the present invention, there is provided a steering precision lapping-based superhard material processing method comprising the steps of:
s1, obtaining a superhard material suitable for steering precision grinding by using the screening method;
s2, grinding the easy-to-grind direction in the superhard material in a steering grinding mode according to the easy-to-grind direction of each crystal grain in the superhard material, so that the removal rate of the surface materials of different crystal grains is ensured to be the same;
s3, polishing the surface of the ground sample.
Preferably, in step S2, the load pressure during the grinding process is set according to the preset grinding rates of the different easy-to-grind directions of the grains.
Preferably, step S3 is specifically: mixing nano-scale nickel powder, nano-scale cobalt powder, nano-scale silicon dioxide and micron-scale diamond powder as polishing agents, applying 2N-5N load to a polishing plate, and polishing the surface of the ground sample at the rotating speed of 500-1500 r/min.
Preferably, the processing method further includes a step S4 of removing the surface residue of the polished sample by ultrasonic vibration cleaning and removing the residual stress at the grain boundary of the polished sample by high-frequency ultrasonic waves.
In general, the above technical solutions conceived by the present invention have the following beneficial effects compared with the prior art:
(1) According to the invention, association between the internal microstructure and external processing parameters of the superhard material and the macroscopic performance of the surface of the superhard material is established through numerical simulation, the superhard material suitable for steering precise grinding is screened, and meanwhile, the easy-grinding directions of all grains in the superhard material are obtained, so that steering grinding can be conveniently carried out from different easy-grinding directions, and the problems of poor surface quality, concentrated grain boundary stress and the like caused by the traditional unidirectional grinding are overcome.
(2) The invention provides a superhard material processing method based on steering precision grinding, which takes into consideration the microstructure information such as the crystal orientation, twin boundary, phase boundary and the like of superhard materials, and makes grinding procedures according to the easy grinding directions of grains of a grinding surface, and samples are respectively transferred to the easy grinding directions of the grains for grinding, wherein the grinding directions are adjusted in real time, so that the consistent removal rate of the materials on the surface of the grinding surface can be ensured. The steering precise grinding method avoids the defects of the traditional grinding process, the precision grinding is continuously carried out in the direction easy to grind, the processing efficiency is improved, the ultra-precise processing range is expanded, and the steering precise grinding method is expected to provide references for ultra-precise cutting tools with higher precision, higher thermal stability and longer service life.
Drawings
FIG. 1 is a numerical model of different microstructural features of Nt-D in an embodiment of the invention.
FIG. 2 is a schematic view of the molecular dynamics simulation grinding in an embodiment of the invention.
Fig. 3 is a graph of grinding force for different crystal orientations of the diamond 111 surface in an embodiment of the present invention.
FIG. 4 is a schematic diagram showing the grain distribution and the direction of easy-to-wear in Nt-D samples according to an embodiment of the present invention.
Detailed Description
The present invention will be described in further detail with reference to the drawings and examples, in order to make the objects, technical solutions and advantages of the present invention more apparent. It should be understood that the specific embodiments described herein are for purposes of illustration only and are not intended to limit the scope of the invention.
The superhard material (Superhard Material) is typically polycrystalline diamond, blue-silk-diamond, nano-twin cubic boron nitride and the like. In this embodiment, taking ultra-hard nano twin diamond (Nt-D) as an example, the association between the internal microstructure and the surface macroscopic property of the ultra-hard material is explored through numerical simulation, and a screening method of Nt-D suitable for steering precise lapping is designed, which comprises the following steps:
(1) Construction of a single crystal model: a typical monocrystal diamond polytype structure is established, a crystal structure prediction program CALYPSO based on a particle swarm optimization algorithm is adopted to search a possible diamond polytype structure, then various monocrystal polytype structures are optimally predicted, the possible structure is screened, and a foundation is provided for the subsequent First Principle (FPC) -based compression-shear simulation and the establishment of a polycrystalline model.
The modeling in this step was done using MS (Materials Studio) software to build a typical single crystal diamond polytype structure including 3C single phase, twin (TB) phase, 3C/2H dual phase, 3C/4H dual phase and 3C/4H/2H multi phase, as shown in fig. 1.
The optimization prediction method is to optimally predict various single crystal polytype structures by adopting first sexual principle calculation software VASP (Vienna Ab-intio Simulation Package) based on density functional theory (Density Functional Theory, DFT) and screen out possible structures.
(2) Construction of a polycrystalline model: space is divided into two dimensions or three dimensions based on a Thiessen polygon algorithm (Voronoi Tessellation), and a polycrystal model is built by using the optimized monocrystal model as a seed, as shown in fig. 1.
The polycrystalline model in this step is built by a Polycrystal module of crystal modeling software atom sk based on the Thiessen polygon algorithm (Voronoi Tessellation).
(3) Basic mechanical properties of the single crystal model are calculated: strain loading such as pulling, pressing, pure shearing, pressing shearing and the like is carried out on the single crystal diamond polytype structure screened by the CALYPSO so as to acquire information such as ideal strength, energy change, atomic motion, breaking recombination of chemical bonds and the like of various models when the models are subjected to friction stress, explore metastable configuration possibly occurring in the pressing shearing process, and facilitate analysis of Nt-D surface generation mechanism.
The strain loading of the single crystal diamond polytype structure in this step is performed using VASP software. Wherein the information of ideal intensity, energy change and the like is obtained through VASP calculation. Information on atom movement, chemical bond cleavage recombination, etc. is achieved using visualization software OVITO (Open Visualization Tool) and VESTA (Visualization for electronic and structural analysis).
(4) Potential function verification and optimization: for Molecular Dynamics (MD) simulation research of diamond, common potential functions include Terdoff potential, C.lcbop potential, CH.airebo potential and the like; the potential functions described above are used in most MD compression or indentation simulations, whether applicable to MD grinding simulations is to be evaluated. And verifying and optimizing from the aspects of surface interfaces and mechanical response such as interface energy, surface energy, stacking fault energy, twin crystal energy, admittance force, shear strain stress relation and the like.
The MD simulation is realized based on LAMMPS (Larger-scale atmospheric/Molecular Massively Parallel Simulator) software. The interface energy, the surface energy, the fault energy and other information are calculated based on VASP software.
(5) MD grinding simulation: after verifying the optimized potential function, an MD grinding simulation study was performed, as shown in the grinding schematic diagram of fig. 2. And performing MD grinding simulation on the established various two-dimensional/three-dimensional polycrystalline models, and analyzing the influence of microstructures such as grain boundaries, twin grain boundaries, phase boundaries and the like on surface generation, surface material removal, abrasive accumulation and the like. The microstructure-surface generation mechanism association is obtained by observing the surface morphology, local stress, phase structure transformation, chemical bond change and the like of the Nt-D model under single-abrasive-grain and multi-abrasive-grain grinding, and the microstructure type with excellent surface quality after grinding simulation is definitely obtained, so that guidance is provided for screening Nt-D samples in grinding experiments. And then, carrying out grinding simulation for a plurality of times by changing external machining parameters such as grinding direction, speed, simulation temperature and the like, and obtaining external machining-surface generation association. The direction of easy wear was determined by MD grinding simulation on the three low-index crystal planes of diamond, namely the (111) plane, (110) plane and (001) plane. As shown in fig. 3, taking the (111) plane as an example, the easy-to-grind direction of the (111) plane is known to be the [2_11] crystal direction by MD grinding simulation, and the determination methods of the easy-to-grind directions of the other crystal planes are the same, which will not be described in detail here. The determination of the easy-to-grind direction provides guidance for the establishment of a follow-up Nt-D steering precise grinding and processing experimental scheme.
On the other hand, the embodiment also provides a superhard material processing method based on steering precision grinding, which comprises the following steps:
s1, screening by using the screening method to obtain the superhard material suitable for steering precise grinding
The Nt-D sample with the microstructure with excellent surface quality is obtained through screening by the step so as to facilitate the subsequent grinding experiment, and meanwhile, grinding simulation in the screening process can provide reference for processing parameters of the grinding experiment of the actual sample.
S2, carrying out steering precision grinding on the screened superhard Nt-D sample
The processing scheme for turning to precise grinding is formulated according to different easy-grinding directions of crystal grains in a crystal structure, as shown in fig. 4. Specifically, the direction of easy grinding of each crystal grain of the grinding surface is respectively measured by a YX-2X-ray crystal orientation instrument, and a grinding program is formulated according to the grinding rate of the direction of easy grinding of the three crystal grains. Inputting a grinding program into an air bearing diamond cutter grinder, fixing an Nt-D sample on the diamond cutter grinder according to the easy grinding direction of the crystal grain 1, applying a fixed load to a grinding disc, and grinding at a rotating speed of 2000 r/min; then according to the grinding procedure, the fixing device rotates to the easy-grinding directions of the crystal grains 2 and 3 for grinding for a plurality of times, so as to ensure that the surface material removal rate of the 3 crystal grains is consistent; the grinding load pressure of the easy-grinding direction of the grinding surface grains is determined according to the grinding rate ratio. External processing parameters such as grinding speed, temperature and the like can be changed, grinding experiments can be carried out for a plurality of times, and the influence of the external processing parameters on the generation of the Nt-D grinding surface can be obtained.
S3, polishing the surface of the ground Nt-D sample
The embodiment adopts ultra-precise grinding and polishing based on the mechanical action of micro abrasive particles to polish the surface of a sample, and the specific implementation method is that nano-scale nickel powder, cobalt powder, silicon dioxide and other polishing agents with different proportions are mixed with micron-scale diamond powder to serve as polishing agents, 3N load is applied to a polishing plate, and the surface of the ground Nt-D sample is polished at a rotating speed of 500 r/min-1500 r/min.
S4, subsequent treatment and experimental demonstration
And (3) vibrating and cleaning the polished Nt-D sample by using an ultrasonic cleaner to remove various scraps, polishing agent residues and the like.
Experimental demonstration of Nt-D surface generation mechanism under steering precision lapping can reveal physical mechanism of abrasive particle abrasion and superhard material surface stress field change, and specifically comprises the following contents:
A. surface topography characterization and surface roughness measurement, surface and subsurface microstructure characterization: because the crystal orientation of the crystal grains at the two sides of the crystal boundary is different, the morphology difference at the two sides and whether the stress concentration and the abrasive accumulation phenomenon exist at the crystal boundary are important to pay attention to.
Wherein the instrument used to characterize the surface topography and measure the surface roughness is an AFM and the instrument used to characterize the surface and subsurface microstructure is an HRTEM.
B. Surface composition and chemical bond characterization: measuring the element composition and chemical state of the surface area, and observing the residual degree of the polishing agent element; chemical bond characterizing a surface and a subsurfaceTo estimate sp in the lapping and polishing process 3 The hybridization bonding to sp 2 Degree of conversion of the carbon atom hybrid bond. And combining a numerical simulation result, determining the association between the internal microstructure and external processing parameters and the macroscopic performance of the Nt-D surface, and revealing the surface generation mechanism of the Nt-D so as to optimize and adjust the grinding simulation and the steering grinding processing process in the later raw material sample screening process.
Wherein the instrument for measuring the elemental composition and chemical state of the surface region is an X-ray energy spectrometer (EDS) and the Electron Energy Loss Spectroscopy (EELS) is used for representing the chemical bonds of the surface and the subsurface.
C. Mechanical property characterization and residual stress elimination: and measuring the mechanical properties such as hardness, toughness, wear resistance and the like of the grinding surface of the Nt-D sample before and after grinding and polishing, and examining the influence degree of different processing parameters on the mechanical property loss. Residual stress at grain boundaries was evaluated and eliminated by high-frequency ultrasonic waves.
Wherein, the mechanical performance parameters such as hardness, toughness, wear resistance and the like are measured by a nanometer indentation instrument (NTH) and a friction and wear tester. Residual stress relief is achieved using a nonlinear ultrasonic inspection RAM-SNAP device.
It will be readily appreciated by those skilled in the art that the foregoing description is merely a preferred embodiment of the invention and is not intended to limit the invention, but any modifications, equivalents, improvements or alternatives falling within the spirit and principles of the invention are intended to be included within the scope of the invention.
Claims (9)
1. The method for screening the superhard material suitable for steering precise grinding is characterized by comprising the following steps of:
s1.1, predicting a single crystal polytype structure of a superhard material possibly existing, optimizing various single crystal polytype structures to obtain a single crystal model, and calculating the mechanical property of the single crystal model;
s1.2, establishing a polycrystalline model of the superhard material by taking the established monocrystalline model as a seed;
s1.3, verifying and optimizing potential functions suitable for molecular dynamics simulation, then performing molecular dynamics grinding simulation on various established polycrystalline models, obtaining correlation between the internal microstructure and the surface macroscopic property of the superhard material under single-abrasive-grain and multi-abrasive-grain grinding, and obtaining correlation between external processing parameters and the surface macroscopic property by changing grinding simulation processing parameters, thereby screening and obtaining the superhard material suitable for steering precision grinding, and obtaining the easy grinding direction of the superhard material suitable for steering precision grinding;
in step S1.3, the verification optimization method of the potential function is to screen or correct the potential function by comparing the interfacial energy, the surface energy, the stacking fault energy, the twin crystal energy, the admittance force and the shear strain stress relation of the monocrystalline model established by the first sexual principle calculation and the molecular dynamics simulation calculation, so as to obtain the potential function suitable for the molecular dynamics grinding simulation.
2. The screening method according to claim 1, wherein: in step S1.1, a particle swarm optimization algorithm is adopted to predict a possibly existing single crystal polytype structure, and a first sexual principle based on a density functional theory is adopted to calculate the optimized and predicted single crystal polytype structure.
3. The screening method according to claim 1, wherein in step S1.1, the mechanical properties of the single crystal model are calculated as follows: and carrying out strain loading on the single crystal model to obtain information including ideal strength, energy change, atomic motion and fracture recombination condition of chemical bonds of the single crystal model when being stressed.
4. The screening method according to claim 1, wherein: in step S1.2, a Thiessen polygon algorithm is used to build a polycrystalline model.
5. The screening method according to claim 1, wherein: in step S1.3, the potential functions suitable for molecular dynamics simulation include terdoff potential, c.lcbop potential, and ch.airebo potential.
6. The superhard material processing method based on steering precise grinding is characterized by comprising the following steps of:
s1, obtaining a superhard material suitable for steering precision grinding by using the screening method of any one of claims 1-5;
s2, grinding the easy-to-grind direction in the superhard material in a steering grinding mode according to the easy-to-grind direction of each crystal grain in the superhard material, so that the removal rate of the surface materials of different crystal grains is ensured to be the same;
s3, polishing the surface of the ground sample.
7. The processing method according to claim 6, wherein: in step S2, the load pressure in the grinding process is set according to the preset grinding rates of the easy-to-grind directions of different grains.
8. The method according to claim 6, wherein step S3 is specifically: mixing nano-scale nickel powder, nano-scale cobalt powder, nano-scale silicon dioxide and micron-scale diamond powder to be used as a polishing agent, applying a load of 2N-5N to a polishing plate, and polishing the surface of the ground sample at a rotating speed of 500 r-1500 r/min.
9. A method of processing according to any one of claims 6 to 8, wherein: and S4, removing the surface residues of the polished sample by ultrasonic vibration cleaning, and removing the residual stress at the grain boundary of the polished sample by high-frequency ultrasonic waves.
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