Multi-scale and multi-physical field coupling simulation method for metal additive manufacturing
Technical Field
The invention relates to the field of metal additive manufacturing, in particular to a multi-scale multi-physical field coupling simulation method for metal additive manufacturing.
Background
The metal additive manufacturing technology is a manufacturing method for forming a three-dimensional complex structure part by adding materials layer by layer, and is specifically divided into two main types, namely a synchronous powder feeding (wire feeding) laser (electron beam, electric arc and the like) cladding forming technology and a powder bed forming technology of selective laser (electron beam) melting. Since 1995, the national defense advanced research program and the naval research office conducted a series of studies on this technology, which were planned to be engineered within a few years. However, the metal additive manufacturing technology has not been able to be applied industrially due to the key technical problems of laser stability, control system technology level, etc. Recently, with the introduction of industrial development strategy concepts such as german industry 4.0, american manufacturing innovation network, and chinese manufacturing 2025, metal additive manufacturing technology is in a high-speed development stage.
The metal additive manufacturing technology is expected to meet the requirements of high-end technical fields such as aviation, aerospace and the like on light weight, high efficiency and high reliability of large key components made of metal materials such as titanium alloy, nickel-based alloy, high-strength aluminum alloy, special alloy steel and the like. Currently, metal additive manufacturing encounters technical bottlenecks in manufacturing environment and microstructure controllability, defect formation and evolution mechanisms, residual stress control and deformation cracking prevention, fatigue life, technical standard systems and the like, so that the application field of metal additive manufacturing is limited.
The research on material science basic problems of material physical metallurgy, material thermophysics and the like in the metal additive manufacturing process is an important means for solving the bottlenecks of thermal stress control and deformation cracking prevention, member internal quality and mechanical property control and the like in the additive manufacturing process of a high-performance large metal member. In the aspect of experimental research of basic problems of metal additive manufacturing materials, laser additive manufacturing technologies of high-performance refractory metal components such as titanium alloy, nickel-based superalloy, stainless steel, alloy steel and the like are researched by various institutions such as the United states and Germany. A large number of experimental researches and applications of laser additive manufacturing processes, organizational structures and performances are conducted on titanium alloys such as TC4, nickel-based high-temperature alloys such as IN718, NiTi alloys, Ti/Ni gradient materials and the like by various colleges and research institutions IN China.
Currently, the optimization of metal additive manufacturing is still in the trial and error experimental research stage, and the rapid development and application of metal additive manufacturing technology are limited in terms of capital and time cost. Meanwhile, due to the fact that reliable experimental techniques and means are lacked in research on the aspects of formation and development mechanisms of metallurgical defects, stress strain evolution and the like in the high-performance metal additive manufacturing process, multi-scale multi-physical-field coupling simulation research on metal additive manufacturing is developed, the coupling mechanism of molten pool state change, formation and development mechanisms of metallurgical defects and material organization evolution and structure deformation can be effectively disclosed, accurate shape regulation and control of material-process-defect evolution-performance are achieved, and quality, performance and service life of metal additive manufacturing products are improved.
Disclosure of Invention
The invention aims to provide a multi-scale multi-physical-field coupling simulation method capable of revealing a microstructure evolution rule, a formation and development mechanism of metallurgical defects, residual stress and deformation and an accurate shape and controllability mechanism in an additive manufacturing process aiming at the defects of the existing metal additive manufacturing technology, and a metal additive manufacturing accurate prediction model of material-process-defect evolution-performance is established.
The invention is realized by the following steps:
the invention provides a multi-scale multi-physical field coupling simulation method for metal additive manufacturing, which is used for carrying out multi-scale multi-physical field coupling simulation on microscopic structure evolution, metallurgical defect formation and development, a processing gas component influence mechanism, metal powder particle sputtering and residual stress and deformation generated in the metal additive manufacturing process, and comprises the following steps of:
s1, establishing a metal additive manufacturing process data model in a dynamic data modeling mode, wherein the model comprises an additive material database, a process method database, a process parameter database, an equipment technical parameter database, a process standard specification database and a defect diagnosis database;
s2, on the microscopic scale, based on the quantum mechanics theory, performing first principle calculation through first principle calculation software to obtain the microscopic physical properties of the additive metal material;
s3, establishing an NxNxN super-cell model of the additive metal material based on the first principle calculation result, further adopting a molecular dynamics theory, developing molecular dynamics simulation calculation through molecular dynamics simulation software, obtaining melting, vaporization and solidification phase change characteristics of metal, obtaining a processing gas component influence mechanism, and obtaining micro-defect characteristics of holes, cracks, residual stress and deformation;
s4, on the scale of mesoscopic, on the basis of a plasma theory and a PIC algorithm, researching plasma generated in the melting process of heating metal powder by electron beams or laser, and acquiring electron energy, inertial fusion energy, a plasma acceleration effect and an influence mechanism generated by the plasma;
s5, on a macroscopic scale, adopting three-dimensional geometric modeling software to create a metal additive manufacturing three-dimensional geometric model, and using finite element meshing software to divide finite element meshes; simulating a flow field, a temperature field, a magnetic field, a stress field and structural deformation characteristics in the additive manufacturing process by using a flow-thermal-solid-magnetic multi-physical field coupling simulation platform, and researching the melting and solidification of a metal material, the sputtering of metal powder particles, the formation and development of holes and cracks and the residual stress and deformation conditions;
s6, qualitatively and quantitatively analyzing defects such as holes, cracks, residual stress and deformation in the metal additive manufacturing process based on the multi-scale multi-physical field coupling simulation result, and classifying, inducing and finishing the defects; and establishing a process parameter feedback control model aiming at different defect types and distribution conditions, and optimizing metal additive manufacturing process parameters.
Further, in step S1, the additive material database includes material parameters of the additive metal and a microscopic metal crystal structure; the process parameter database comprises energy source types, energy source power, metal powder quality, powder laying thickness, scanning paths, scanning speed, protective gas, substrate temperature and cooling speed; the technical parameter database of the equipment comprises the size of a processing forming cavity, forming precision and forming efficiency.
Further, the step S2 specifically includes: starting from microscopic physical properties of the additive metal material, through first-principle calculation software, obtaining characteristic parameters of the additive metal material under the action of high temperature, wherein the characteristic parameters comprise one or more of lattice constant, bulk elastic modulus, electron density distribution and energy band structure, clarifying the relation between the material structure and performance, and researching thermodynamic properties of the additive metal material in the heating and melting process, wherein the thermodynamic properties comprise linear thermal expansion coefficient and heat capacity.
Further, the step S3 specifically includes: establishing an NxNxN super-cell model of the additive metal material, developing molecular dynamics simulation calculation through molecular dynamics simulation software, and quantitatively analyzing an equilibrium melting point, a thermal state equation, a melting curve, a melting volume and melting entropy in a phase change process, solid-liquid interface energy, and a micro-morphology, pores and cracks formed after cooling of the metal material in a heating and melting process; and establishing a metal additive manufacturing microscopic gas component model, and researching the influence of gas components on the forming quality in the processing process.
Further, the step S3 further includes: and optimizing a potential function describing interaction between atoms in the molecular dynamics simulation based on the characteristic parameters of the additive metal material obtained in the step S2, so as to improve the accuracy of the molecular dynamics simulation.
Further, in step S4, based on the PIC algorithm, the plasma generated by heating the metal with the electron beam or the laser is studied as a particle model through the interaction of the electromagnetic field, and the principle and the mechanism of influence of the plasma are analyzed as follows: firstly, setting particle source information such as particle number, charge, current density and the like through interpolation calculation on a grid; secondly, obtaining information of an electric field and a magnetic field by solving Maxwell equations based on information such as current density; finally, the movement of the particles in the electromagnetic field is tracked based on Newton's second law and Lorentz forces.
Further, in step S5, the three-dimensional geometric modeling and the finite element meshing for the macro metal additive manufacturing are performed according to the additive manufacturing process method, the process parameters, the additive metal material properties, and the additive metal powder particle parameters; the flow-thermal-solid-magnetic multi-physical field coupling simulation platform is developed based on the material constitutive relation obtained by the first principle calculation of the step S2 and the molecular dynamics simulation of the step S3.
Further, the calculation method of the flow-heat-solid-magnetic multi-physical field coupling simulation platform is as follows:
in the fluid calculation, a fluid mechanics control equation is calculated based on a continuous medium, a metal powder high-temperature melting model is established, the mass and energy source items of each phase in the metal melting and solidification phase change process are corrected, simulation boundary conditions are set, and the metal melting temperature and the molten pool flowing state are researched;
in the thermal calculation, establishing energy conversion models aiming at different energy sources, and researching the energy conversion efficiency between the energy sources and the metal powder; establishing a heat transfer model, and researching heat exchange coefficients and heat flux densities inside and among the fluid domain and the solid domain;
in the structural dynamics calculation, based on a transient structural dynamics control equation, the sputtering phenomenon of metal powder particles under the condition of high-energy beam heating is established, and the influence mechanism and rule of metal powder sputtering on the quality of an additive manufacturing product are researched; establishing a stress-strain model in the condensation process of molten metal, and researching the distribution of holes and crack defects, residual stress and deformation conditions of metal additive manufacturing products under the working conditions of different cooling speeds and temperature gradients;
in the magnetic field calculation, the movement characteristic of the metal powder in a magnetic field under the action of high temperature is established based on Maxwell equation, and the sputtering of the metal powder under the action of high temperature is reduced by applying strong magnetic field action to the metal powder, so that the microstructure morphology and the performance of the metal additive manufacturing product are improved.
Further, the step S6 specifically includes: the method comprises the steps of researching the influence rule of metal additive manufacturing process parameters on three types of defects including pores, cracks and stress strain, establishing a quantitative correlation model of multiple process parameters and defect characteristics, establishing a metal additive manufacturing defect control feedback adjustment model based on the quantitative correlation model of the multiple process parameters and the defect characteristics, and optimizing metal additive manufacturing controllable process parameters.
Further, the step S6 further includes: and further optimizing an additive material database, a process method database, a process parameter database, an equipment technical parameter database, a process standard specification database and a defect diagnosis database according to the quantitative association model of the multiple process parameters and the defect characteristics.
Compared with the prior art, the invention has the following beneficial effects:
the invention starts from the microcosmic physical properties of a metal material, researches the thermodynamic characteristics of the metal material for additive manufacturing, and simulates the microscopic structure evolution, the formation and the development of metallurgical defects, the influence mechanism of processing gas components, the sputtering of metal powder particles, the residual stress and the structural deformation and the like in the metal additive manufacturing process by a multi-scale multi-physical field coupling simulation means to form a macro-microcosmic integrated metal additive manufacturing product quality prediction system. The method can effectively optimize the metal additive manufacturing processing technological parameters, reduce the trial and error test cost, and improve the metal additive manufacturing forming efficiency, precision, performance and the like.
Drawings
Fig. 1 is a flowchart of a multi-scale multi-physical field coupling simulation method for metal additive manufacturing according to an embodiment of the present invention;
fig. 2 is a data interaction and system framework diagram of a metal additive manufacturing multi-scale multi-physical field coupling simulation method according to an embodiment of the present invention;
fig. 3 is a multi-scale modeling method of a metal additive manufacturing multi-scale multi-physical field coupling simulation method according to an embodiment of the present invention.
Detailed Description
The technical solutions in the embodiments of the present invention will be clearly and completely described below with reference to the drawings in the embodiments of the present invention, and it is obvious that the described embodiments are only a part of the embodiments of the present invention, and not all of the embodiments. All other embodiments, which can be derived by a person skilled in the art from the embodiments given herein without making any creative effort, shall fall within the protection scope of the present invention.
As shown in fig. 1 and fig. 2, an embodiment of the present invention provides a multi-scale multi-physical-field coupling simulation method for metal additive manufacturing, which is used for performing multi-scale multi-physical-field coupling simulation on microstructure evolution, formation and development of metallurgical defects, a processing gas composition influence mechanism, metal powder particle sputtering, and residual stress and deformation generated in a metal additive manufacturing process, and the method includes the following steps:
s1, establishing a metal additive manufacturing process data model in a dynamic data modeling mode, wherein the model comprises an additive material database, a process method database, a process parameter database, an equipment technical parameter database, a process standard specification database, a defect diagnosis database and the like;
s2, on the microscopic scale, based on the quantum mechanics theory, performing first principle calculation through first principle calculation software to obtain the microscopic physical properties of the additive metal material;
s3, establishing an NxNxN super-cell model of the additive metal material based on the first principle calculation result, further adopting a molecular dynamics theory, developing molecular dynamics simulation calculation through molecular dynamics simulation software, obtaining melting, vaporization and solidification phase change characteristics of metal, obtaining a processing gas component influence mechanism, and obtaining micro-defect characteristics of holes, cracks, residual stress and deformation;
s4, on the scale of mesoscopic, on the basis of plasma theory and PIC (Particle-in-cell) algorithm, researching the plasma generated in the melting process of the electron beam or laser heating metal powder, and acquiring the electron energy, the inertial fusion energy, the plasma acceleration effect and the influence mechanism generated by the plasma;
s5, on a macroscopic scale, adopting three-dimensional geometric modeling software to create a metal additive manufacturing three-dimensional geometric model, and using finite element meshing software to divide finite element meshes; simulating a flow field, a temperature field, a magnetic field, a stress field and structural deformation characteristics in the additive manufacturing process by using a flow-thermal-solid-magnetic multi-physical field coupling simulation platform, and researching the melting and solidification of a metal material, the sputtering of metal powder particles, the formation and development of holes and cracks and the residual stress and deformation conditions;
s6, qualitatively and quantitatively analyzing defects such as holes, cracks, residual stress and deformation in the metal additive manufacturing process based on the multi-scale multi-physical field coupling simulation result, and classifying, inducing and finishing the defects; and establishing a process parameter feedback control model aiming at different defect types and distribution conditions, and optimizing metal additive manufacturing process parameters.
Aiming at a typical laser or electron beam selective heating metal melting additive manufacturing technology, metal powder is melted under the heating of high-strength energy beams, and a tiny metal molten pool is formed on the surface of a metal powder bed along with the volatilization phenomena of metal plasma and steam; meanwhile, the metal powder generates sputtering phenomenon under the instantaneous action of high-strength energy beams; as the molten metal cools down, a continuous metal structure is formed, thereby achieving the goal of metal additive manufacturing. The process involves complex physical processes such as heat transfer, microstructure transformation, microscopic stress and deformation, metal powder sputtering and the like, so that metal additive manufacturing products are very easily influenced by processing environment, process parameters and the like, and defects such as holes, cracks, stress and deformation occur.
Further, in step S1, the additive material database includes material parameters of the additive metal, a microscopic metal crystal structure, and the like; the process parameter database comprises energy source types, energy source power, metal powder quality, powder laying thickness, scanning paths, scanning speed, protective gas, substrate temperature, cooling speed and the like, wherein the laser energy types comprise laser and electron beams, metal additive manufacturing process parameters play a decisive role in product quality, and specific process parameters are required to be adopted for parts with different metal materials and forming requirements; the technical parameter database of the equipment comprises the size of a processing forming cavity, forming precision, forming efficiency and the like.
Further, the step S2 specifically includes: starting from microscopic physical properties of an additive metal material, calculating software by adopting a first principle, such as VASP software, describing interaction between real and valence electrons by means of a Projector-assisted wave method (PAW) based on a density functional theory plane wave pseudopotential method, and processing exchange correlation energy of the interaction between the electrons by applying a Perdex-Burke-Ernzehof (PBE) scheme of Generalized Gradient Approximation (GGA); setting plane wave truncation energy in a reciprocal space; adopting a k-point Monkorst-Park grid scheme for geometric optimization and integral calculation of the state density in a full Brillouin zone; in the structure optimization process, an energy convergence standard and an interatomic interaction force convergence standard which meet the calculation accuracy requirement are set, characteristic parameters of the additive metal material under the action of high temperature are obtained through calculation by a first principle, the characteristic parameters comprise one or more of a lattice constant, a bulk elastic modulus, an electron density distribution and an energy band structure, the relation between the material structure and the performance is clarified, and the thermodynamic properties of the additive metal material in the heating and melting process are researched, wherein the thermodynamic properties comprise a linear thermal expansion coefficient and a heat capacity.
Further, the step S3 specifically includes: establishing an NxNxN super cell model of the additive metal material, setting periodic boundary conditions, gradually heating the system until the system is molten under a selected ensemble (NVE, NVT, NPT), and then gradually cooling the molten metal until the molten metal is crystallized; and solving a Newton motion equation by adopting a Veocity-Verlet algorithm, and setting a calculation time step length and total simulation time. Carrying out molecular dynamics simulation calculation through molecular dynamics simulation software, such as LAMMPS software, and carrying out quantitative analysis on the equilibrium melting point, the thermal state equation, the melting curve, the melting volume and the melting entropy in the phase change process, the solid-liquid interface energy, the micro-morphology formed after cooling, the pores and the cracks of the metal material in the heating and melting process; and establishing a metal additive manufacturing microscopic gas component model, and researching the influence of gas components on the forming quality in the processing process.
Preferably, the step S3 further includes: and optimizing a potential function describing interaction between atoms in the molecular dynamics simulation based on the characteristic parameters of the additive metal material obtained in the step S2, so as to improve the accuracy of the molecular dynamics simulation.
Further, in step S4, a plasma effect model during the metal melting process is established, plasma during the metal melting process is used as a particle model through electromagnetic field interaction based on PIC algorithm, and the plasma generated by heating the metal with electron beam or laser is studied by the following method: firstly, setting particle source information such as particle number, charge, current density and the like through interpolation calculation on a grid; secondly, obtaining information of an electric field and a magnetic field by solving Maxwell equations based on information such as current density; finally, the movement of the particles in the electromagnetic field is tracked based on Newton's second law and Lorentz forces.
Further, in step S5, a metal additive manufacturing three-dimensional geometric model may be created by using solid works geometric modeling software, a finite element mesh may be divided by using Gambit software, and the three-dimensional geometric modeling and the finite element mesh division for the macro metal additive manufacturing may be performed according to an additive manufacturing process method, process parameters, additive metal material properties, and additive metal powder particle parameters; the flow-thermal-solid-magnetic multi-physical field coupling simulation platform is developed based on the material constitutive relation obtained by the first principle calculation of the step S2 and the molecular dynamics simulation of the step S3.
Further, the computing method of the flow-heat-solid-magnetic multi-physical field coupling simulation platform developed autonomously by the invention is as follows:
in the fluid calculation, a fluid mechanics control equation is calculated based on a continuous medium, a metal powder high-temperature melting model is established, the mass and energy source items of each phase in the metal melting and solidification phase change process are corrected, simulation boundary conditions are set, and the metal melting temperature and the molten pool flowing state are researched;
in the thermal calculation, establishing energy conversion models aiming at different energy sources, and researching the energy conversion efficiency between the energy sources and the metal powder; establishing a heat transfer model, and researching heat exchange coefficients and heat flux densities inside and among the fluid domain and the solid domain;
in the structural dynamics calculation, based on a transient structural dynamics control equation, the sputtering phenomenon of metal powder particles under the condition of high-energy beam heating is established, and the influence mechanism and rule of metal powder sputtering on the quality of an additive manufacturing product are researched; establishing a stress-strain model in the condensation process of molten metal, and researching the distribution of holes and crack defects, residual stress and deformation conditions of metal additive manufacturing products under the working conditions of different cooling speeds and temperature gradients;
in the magnetic field calculation, the movement characteristic of the metal powder in a magnetic field under the action of high temperature is established based on Maxwell equation, and the sputtering of the metal powder under the action of high temperature is reduced by applying strong magnetic field action to the metal powder, so that the microstructure morphology and the performance of the metal additive manufacturing product are improved.
Further, the step S6 specifically includes: dividing the defects of metal additive manufacturing into three types of pores, cracks and stress strain, researching the influence rules of process parameters such as the particle sizes of different material powders, the content of internal impurities, the laser energy density, the scanning path and the scanning speed on the three types of defects such as the pores, the cracks and the stress strain, establishing a quantitative association model of multiple process parameters and defect characteristics, and further optimizing an additive material database, a process method database, a process parameter database, an equipment technical parameter database, a process standard specification database and a defect diagnosis database; based on a quantitative correlation model of multiple process parameters and defect characteristics, the results of porosity, hole size, crack length, residual stress and the like obtained by multi-scale multi-physical field coupling simulation calculation are compared with expected values, a metal additive manufacturing defect control feedback regulation model is established, and controllable process parameters of metal additive manufacturing are optimized.
Further, as shown in fig. 3, the execution sequence of steps S2-S5 of the present invention is not limited to be sequentially executed from S2 to S5, the sequence may be changed, and a plurality of steps may be simultaneously performed, thereby implementing bottom-up or top-down synchronized multi-scale multi-physics coupling modeling and simulation analysis in combination with the first principles, molecular dynamics and macroscopic multi-physics coupling simulation. Correcting a macroscopic finite element simulation control equation based on a constitutive relation of a metal material obtained by quantum mechanical first principle calculation and molecular dynamics simulation; and combining the actual working condition and the macroscopic finite element simulation result to provide boundary conditions for the microscopic first principle calculation and the molecular dynamics calculation. On the basis, a multi-scale data interaction algorithm is developed, and multi-scale multi-physical field coupling modeling simulation of metal additive manufacturing up-down synchronization is achieved.
The above description is only for the purpose of illustrating the preferred embodiments of the present invention and is not to be construed as limiting the invention, and any modifications, equivalents, improvements and the like that fall within the spirit and principle of the present invention are intended to be included therein.