Prediction of grain scale plasticity of NiTi shape memory alloy based on crystal plasticity finite element method

Grain scale plasticity of NiTi shape memory alloy(SMA)during uniaxial compression deformation at 400℃was investigated through two-dimensional crystal plasticity finite element simulation and corresponding analysis based on the obtained orientation data.Stress and strain distributions of the deformed NiTi SMA samples confirm that there exhibits a heterogeneous plastic deformation at grain scale.Statistically stored dislocation(SSD)density and geometrically necessary dislocation(GND)density were further used in order to illuminate the microstructure evolution during uniaxial compression.SSD is responsible for sustaining plastic deformation and it increases along with the increase of plastic strain.GND plays an important role in accommodating compatible deformation between individual grains and thus it is correlated with the misorientation between neighboring grains,namely,a high GND density corresponds to large misorientation between grains and a low GND density corresponds to small misorientation between grains.

Thermo-kinetic characteristics on stabilizing hetero-phase interface of metal matrix composites by crystal plasticity finite element method

Using dislocation-based constitutive modeling in three-dimension crystal plasticity finite element(3D CPFE)simulations,co-deformation and instability of hetero-phase interface in different material systems were herein studied for polycrystalline metal matrix composites(MMCs).Local stress and strain fields in two types of 3layer MMCs such as fcc/fcc Cu-Ag and fcc/bcc Cu-Nb have been predicted under simple compressive deformations.Accordingly,more severe strain-induced interface instability can be observed in the fcc/bcc systems than in the fcc/fcc systems upon refining to metallic nanolayered composites(MNCs).By detailed analysis of stress and strain localization,it has been demonstrated that the interface instability is always accompanied by high-stress concentration,i.e.,thermodynamic characteristics,or high strain prevention i.e.,kinetic characteristics,at the hetero-phase interface.It then follows that the thermodynamic driving forceG and the kinetic energy barrier Q during dislocation and shear banding can be adopted to classify the deformation modes,following the so-called thermo-kinetic correlation.Then by inserting a high density of high-energy interfaces into the Cu-Nb composites,such thermo-kinetic integration at the hetero-phase interface allows a successful establishment of MMCs with the high△G-high Q deformation mode,which ensures high hardening and uniform strain distri-bution,thus efficiently suppressing the shear band,stabilizing the hetero-phase interface,and obtaining an exceptional combination in strength and ductility.Such hetero-phase interface chosen by a couple of thermodynamics and kinetics can be defined as breaking the thermo-kinetic correlation and has been proposed for artificially designing MNCs.

Mechanical Anisotropy of Selective Laser Melted Ti-6Al-4V Using a Reduced-order Crystal Plasticity Finite Element Model

In this study,a reduced-order crystal plasticity finite element(CPFE)model was developed to study the effects of the microstructural morphology and crystallographic texture on the mechanical anisotropy of selective laser melted(SLMed)Ti-6Al-4V.First,both hierarchical and equiaxed microstructures in columnar prior grains were modeled to examine the influence of the microstructural morphology on mechanical anisotropy.Second,the effects of crystallographic anisotropy and textural variability on mechanical anisotropy were investigated at the granular and representative volume element(RVE)scales,respectively.The results show that hierarchical and equiaxed CPFE models with the same crystallographic texture exhibit the same mechanical anisotropy.At the granular scale,the significance of crystallographic anisotropy varies with different crystal orientations.This indicates that the present SLMed Ti-6Al-4V sample with weak mechanical anisotropy resulted from the synthetic effect of crystallographic anisotropies at the granular scale.Therefore,combinations of various crystallographic textures were applied to the reduced-order CPFE model to design SLMed Ti-6Al-4V with different mechanical anisotropies.Thus,the crystallographic texture is considered the main controlling variable for the mechanical anisotropy of SLMed Ti-6Al-4V in this study.

Analysis of the mechanism of orientations evolution during hot rolling and mechanical properties of TiBw/TA15 composites based on crystal plasticity finite element model

An in-depth understanding of the crystal orientation evolution during hot rolling of TiB whisker(TiBw)/TA15 composites and the anisotropy of the as-rolled plates can help fully utilize the material proper-ties.In this paper,the crystal plasticity finite element models of high-temperature(HT)β-phase and room-temperature(RT)α-phase were constructed from electron backscattering diffraction data.Based on this,the orientation evolution during hot rolling in the single-phase region and the effects of the matrix texture on the mechanical properties of the as-rolled plates were analyzed.The effect of TiBw on the anisotropy was studied by the composites finite element model.Results showed that theα-fiber texture of theβ-phase was formed during HT rolling.This texture was converted to the T-texture of theα-phase at RT during cooling according to the Burgers orientation relationships.The TiBw had little effect on the matrix texture composition.The TiBw and matrix texture caused the matrix to have higher strength along the rolling direction and the transverse direction,respectively.The matrix texture dominated the difference in mechanical properties because its effect exceeded that of TiBw.The effect of the matrix on the mechanical properties was caused by the Schmid factors(SFs)and the critical resolved shear stress(CRSS)of the slip system together.The slip mode was influenced by SFs determined by the angular rela-tionship between the crystal orientation and the loading direction.The CRSS of the activated slip system determined the yield strength.

Texture evolution and slip mode of a Ti-5.5Mo-7.2Al-4.5Zr-2.6Sn-2.1Cr dual-phase alloy during cold rolling based on multiscale crystal plasticity finite element model

The complex micromechanical response among grains remains a persistent challenge to understand the deformation mechanism of titanium alloys during cold rolling.Therefore,in this work,a multiscale crystal plasticity finite element method of dual-phase alloy was proposed and secondarily developed based on LS-DYNA software.Afterward,the texture evolution and slip mode of a Ti-5.5Mo-7.2Al-4.5Zr-2.6Sn-2.1Cr alloy,based on the realistic 3D microstructure,during cold rolling(20%thickness reduction)were systematically investigated.The relative activity of the■slip system in theαphase gradually increased,and then served as the main slip mode at lower Schmid factor(<0.2).In contrast,the contribution of the■slip system to the overall plastic deformation was relatively limited.For theβphase,the relative activity of the<111>{110}slip system showed an upward tendency,indicating the important role of the critical resolved shear stress relationship in the relative activity evolutions.Furthermore,the abnormally high strain of very fewβgrains was found,which was attributed to their severe rotations compelled by the neighboring pre-deformedαgrains.The calculated pole figures,rotation axes,and compelled rotation behavior exhibited good agreement to the experimental results.

Multi-scale crystal plasticity finite element simulations of the microstructural evolution and formation mechanism of adiabatic shear bands in dual-phase Ti20C alloy under complex dynamic loading

A dynamic compression test was performed on α+β dual-phase titanium alloy Ti20C using a split Hopkinson pressure bar.The formation of adiabatic shear bands generated during the compression process was studied by combining the proposed multi-scale crystal plasticity finite element method with experimental measurements.The complex local micro region load was progressively extracted from the simulation results of a macro model and applied to an established three-dimensional multi-grain microstructure model.Subsequently,the evolution histories of the grain shape,size,and orientation inside the adiabatic shear band were quantitatively simulated.The results corresponded closely to the experimental results obtained via transmission electron microscopy and precession electron diffraction.Furthermore,by calculating the grain rotation and temperature rise inside the adiabatic shear band,the microstructural softening and thermal softening effects of typical heavily-deformed α grains were successfully decoupled.The results revealed that the microstructural softening stress was triggered and then stabilized(in general)at a relatively high value.This indicated that the mechanical strength was lowered mainly by the grain orientation evolution or dynamic recrystallization occurring during early plastic deformation.Subsequently,thermal softening increased linearly and became the main softening mechanism.Noticeably,in the final stage,the thermal softening stress accounted for 78.4% of the total softening stress due to the sharp temperature increase,which inevitably leads to the stress collapse and potential failure of the alloy.

Temperature-dependent constitutive modeling of a magnesium alloy ZEK100 sheet using crystal plasticity models combined with in situ high-energy X-ray diffraction experiment

A multiscale crystal plasticity model accounting for temperature-dependent mechanical behaviors without introducing a larger number of unknown parameters was developed.The model was implemented in elastic-plastic self-consistent(EPSC)and crystal plasticity finite element(CPFE)frameworks for grain-scale simulations.A computationally efficient EPSC model was first employed to estimate the critical resolved shear stress and hardening parameters of the slip and twin systems available in a hexagonal close-packed magnesium alloy,ZEK100.The constitutive parameters were thereafter refined using the CPFE.The crystal plasticity frameworks incorporated with the temperature-dependent constitutive model were used to predict stress–strain curves in macroscale and lattice strains in microscale at different testing temperatures up to 200℃.In particular,the predictions by the crystal plasticity models were compared with the measured lattice strain data at the elevated temperatures by in situ high-energy X-ray diffraction,for the first time.The comparison in the multiscale improved the fidelity of the developed temperature-dependent constitutive model and validated the assumption with regard to the temperature dependency of available slip and twin systems in the magnesium alloy.Finally,this work provides a time-efficient and precise modeling scheme for magnesium alloys at elevated temperatures.

Development of Integrated Computational Materials Engineering(ICME)Model for Mg Alloy Design and Process Optimization

Integrated computational materials engineering(ICME)has emerged to be one of the most powerful materials genome engineering(MGE)approaches in designing new materials and manufacturing processes in recent years.It has successfully deployed many new products for the electronic,automotive,and aerospace industries.This paper reviews the current status of research on first principles in the design of high-strength Mg alloys,discusses the application of crystal plasticity finite element models to the microscale slip,twinning,microstructure morphology,texture evolution,and macroscopic forming of Mg alloys,and introduces the research progress of crystal plasticity finite element models and phase field models,meta cellular automata models and first principles coupled models respectively,around the need for multi-scale coupled simulations of Mg alloys.The key technology obstacles of integrating the first principles,crystal plasticity finite element,and microstructure models for Mg alloys have been solved.This paper can provide a reference for the design of new Mg alloy compositions and the development of high-performance Mg alloys.

Mesoscopic Analysis of Deformation Heterogeneity and Recrystallization Microstructures of a Dual-Phase Steel Using a Coupled Simulation Approach

Microstructure-based numerical modeling of the deformation heterogeneity and ferrite recrystallization in a cold-rolled dual-phase(DP)steel has been performed by using the crystal plasticity finite element method(CPFEM)coupled with a mesoscale cellular automaton(CA)model.The microstructural response of subsequent primary recrystallization with the deformation heterogeneity in two-phase microstructures is studied.The simulations demonstrate that the deformation of multi-phase structures leads to highly strained shear bands formed in the soft ferrite matrix,which produces grain clusters in subsequent primary recrystallization.The early impingement of recrystallization fronts among the clustered grains causes mode conversions in the recrystallization kinetics.Reliable predictions regarding the grain size,microstructure morphology and kinetics can be made by comparison with the experimental results.The influence of initial strains on the recrystallization is also obtained by the simulation approach.

Anisotropy-Related Machining Characteristics in Ultra-Precision Diamond Cutting of Crystalline Copper

Deformation behavior at grain levels greatly affects the machining characteristics of crystalline materials.In the present work,we investigate the influence of material anisotropy on ultra-precision diamond cutting of single crystalline and polycrystalline copper by experiments and crystal plasticity finite element simulations.Specifically,diamond turning and in situ SEM orthogonal cutting experiments are carried out to provide direct experimental evidence of the material anisotropy-dependent cutting results in terms of machined surface morphology and chip profile.Corresponding numerical simulations with the analysis of built stress further validate experimental results and reveal the mechanisms governing the material anisotropy influence.The above findings provide insight into the fabrication of ultra-smooth surfaces of polycrystalline metals by ultraprecision diamond turning.

Phase field simulation of the stress-inducedαmicrostructure in Ti–6Al–4 V alloy and its CPFEM properties evaluation

Variant selection under specific applied stresses during precipitation of a plates from prior-βmatrix in Ti-6 Al-4 V was investigated by 3 D phase field simulations.The model incorporates the Burgers transformation path fromβto a phase,with consideration of interfacial energy anisotropy,externally applied stresses and elastic interactions among a variants andβmatrix.The Gibbs free energy and atomic mobility data are taken from available thermodynamic and kinetic databases.It was found that external stresses have a profound influence on variant selection,and the selection has a sensitive dependence,as evidenced by both interaction energy calculations and phase field simulations.Compared with normal stresses,shear stresses applied in certain directions were found more effective in accelerating the transformation,with a stronger preference to fewer variants.The volume fractions of various a variants and the final microstructure were determined by both the external stress and the elastic interaction among different variants.The a clusters formed by variants with Type2 misorientation([11-20]/60°)relation were found more favored than those with Type4([-1055-3]/63.26°)under certain applied tensile stress such as along<111>β.The mechanical properties of different microstructures from our phase field simulation under different conditions were calculated for different loading conditions,utilizing crystal plastic finite element simulation.The mechanical behavior of the various microstructures from phase field simulation can be evaluated well before the alloys are fabricated,and therefore it is possible to select microstructure for optimizing the mechanical properties of the alloy through thermomechanical processing based on the two types of simulations.

Heterogeneous precipitate microstructure in titanium alloys for simultaneous improvement of strength and ductility

The design of alloys with simultaneous high strength and high ductility is still a difficult challenge.Here,we propose a new approach to designing multi-phase alloys with a synergistic combination of strength and ductility by engineering heterogeneous precipitate microstructures through the activation of different transformation mechanisms.Using a two-phase titanium alloy as an example,phase field simulations are carried out firstly to design heat treatment schedules that involve both conventional nucleation and growth and non-conventional pseudospinodal decomposition mechanisms,and the calculated microstructures have been evaluated by crystal plasticity finite element modeling.According to simulations,we then set a two-step heat treatment to produce bimodalα+βmicrostructure in Ti-10V-2Fe-3Al.Further mechanical testing shows that the ductility of the alloy is increased by~50%and the strength is increased by~10%as compared to its unimodal counterpart.Our work may provide a general way to improve the mechanical properties of alloys through multiscale microstructure design.