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COMING FROM?. Polytechnic University of Madrid. Vicente Herrera Solaz 1 Javier Segurado 1,2 Javier Llorca 1,2 1 Politechnic University of Madrid 2 Imdea Materials Institute. IMDEA Materials Institute (GETAFE).
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COMING FROM? Polytechnic University of Madrid Vicente Herrera Solaz 1 Javier Segurado 1,2 Javier Llorca1,2 1PolitechnicUniversity of Madrid 2ImdeaMaterialsInstitute IMDEA Materials Institute (GETAFE)
An inverse optimization strategy to determine single crystal mechanics behavior from polycrystaltests: application to Mg alloys WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October)
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) 1. Introduction 2. CrystalPlasticityModel 3. OptimizationStrategy 4. Results 5. Conclusions
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) 1. Introduction • MagnesiumUsefulfortheindustrydue • High ANISOTROPY • Lowstrength and ductility limitsits use • Anisotropy: very different CRSS(Critical Resolved Shear Stresses) of their slip and twinning systems besides strong initial texture • News alloys and different manufacturing systems are • The influence of the alloyed elements
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) • Macroscopic Properties (E, sy..) Mechanical Tests • Microscopic Properties (grains) Hard estimation • nº slip and twinning def systems • Micromechanical Tests • Lower scale Models (MD, DD) • Inverse analysis of mechanical tests with FE models
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) • Objetives: • Develop a CP model for HCP materials + twinning • Apply CP in a Polycrystalline homogenization Model • Implement an optimization technique Inverse analysis
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) 2. CrystalPlasticiyModel • Multiplicative decomposition of the deformation gradient is considered • Composite material model: parent and twinphases • ThevelocityGradientLpcontainsthreeterms:
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) With: • Three slip deformation modes (basal, prismatic and pyramidal [c+a]) and tensile twinning (TW) have been considered .
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) • A viscoplastic model is assumed for the shear and twinning rate: depends on the resolved shear stress : • Shear rate • Twinning rate • The evolutionof the CRSR for each slip and twin system follows: • The crystal plasticity model has been programmed using a subroutine (UMAT) in ABAQUS and was resolved on an implicit scheme.
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) • The behavior of the polycristal: • Numerical Homogenization: Calculation by FE of a boundary problem in a RVE of the microstructure. • Different RVEscan be used: Dream 3D modelwithRealisticmicrostructure (grainsize and shapes) ≈ 200 elements/crystal Voxelsmodelwith 1 element/crystal Voxelsmodelwith 23element/crystal • Uniaxial tension and compression are simulated under periodic boundary conditions • The grain orientations are generated by Montecarloto be statistically representativeof ODF
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) 3. Optimizationtechnique Experimental curves Validationnumericalmodel Comparison Micromechanicalproperties (known) Numerical curves Experimental curves Comparison Inverseanalysis Micromechanicalproperties (????) Micromechanicalpropertiesfit Numerical curves
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) 3. Optimizationtechnique Subjective Time Trial-error Inverseanalysis Optimizationalgorithm (Levenberg-Marquardt) Objective, AutomaticTime Experimental curves Comparison Inverseanalysis Micromechanicalproperties (????) Micromechanicalpropertiesfit Numerical curves
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) 3. Optimizationtechnique IMPLEMENTATION Inverseanalysis Optimizationalgorithm (Levenberg-Marquardt) Objective, Automatic Time Experimental curves Comparison Inverseanalysis Micromechanicalproperties (????) Micromechanicalpropertiesfit Numerical curves
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) • Experimental data: pair of npoints (xi, yi) definingan experimental curve y(x) • Numerical data: pair of npoints (xi, yi*) defining a numerical curve, where: yi*=f(xi,β)=f(β) and β • a set of mparametersonwichour • numericalmodeldepends • Objectivefunction: O(β): • Ifwe do smallincreasesd • in theβparameters , the response • (modifiednumerical curve) • can be written as:
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) • WhereJ istheJacobianMatrix, obtainedherenumerically • Theperturbance of parametersδwhichresults in a minimum of theobjectivefunctionisobtainedwiththefollowing linear system of equations • The new set of βparameterswill be: • The minimization process is iterative, each iteration k is based on the results of the k-1. The loop iteration ends when a goal is reached or it is impossible to minimize the error. • The initial set of parameters is arbitrary • The optimization algorithm has been programmed in python • KEYPOINTS • The procedure is applied hierarchically: From simplistic RVEs to realistic ones → Time saving • Experimental data used have to be representative: Number of curves, load direction → To avoid multiple solutions • The values obtained have to be critically assessed: Predictions of • independent load cases → Validation
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) 4. Results • Fitting done onseveral Mg alloys: AZ31, MN10 and MN11 • Validation • Initial and Final textures • Temperatureinfluenceon MN11
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) VALIDATION • To accept the results obtained you need to check the predictive ability of the model in other load cases which are not included in the iterative process. • The independence and representativeness of the initial curves used for the adjustment will influence in the quality of these predictions AZ31 Fitting 1 curves Prediction error= 31 MPa/pt
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) VALIDATION • To accept the results obtained you need to check the predictive ability of the model in other load cases which are not included in the iterative process. • The independence and representativeness of the initial curves used for the adjustment will influence in the quality of these predictions AZ31 Fitting 2 curves Prediction error= 25 MPa/pt
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) VALIDATION • To accept the results obtained you need to check the predictive ability of the model in other load cases which are not included in the iterative process. • The independence and representativeness of the initial curves used for the adjustment will influence in the quality of these predictions AZ31 Fitting 3 curves Prediction error= 11 MPa/pt
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) VALIDATION • To accept the results obtained you need to check the predictive ability of the model in other load cases which are not included in the iterative process. • The independence and representativeness of the initial curves used for the adjustment will influence in the quality of these predictions MN10 Fitting 3 curves Prediction error= 9.5 MPa/pt
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) VALIDATION • To accept the results obtained you need to check the predictive ability of the model in other load cases which are not included in the iterative process. • The independence and representativeness of the initial curves used for the adjustment will influence in the quality of these predictions MN11 Fitting 3 curves Prediction error= 11.3 MPa/pt
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) INITIAL TEXTURES AZ31 MN10 MN11 Experimental Numerical
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) FINAL TEXTURES AZ31 MN10 MN11 Experimental Numerical
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) TEMPERATURE INFLUENCE on MN11 Curves Fit Polar effect (↑Tª)
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) TEMPERATURE INFLUENCE on MN11 • The Polar effect could be attributed to the twinning mechanism but it doesn't appears at high Tª then… • The Inclusion of the non-Schmidt stresses on Pyramidal c+a is the only way to explain it (by modifying Schmidt law) • In other HCP materials (Ti), Pyramidal c+a has this role, but never on Mg. • At high Tª, pyramidal c+a has a great activity due to its low CRSS
WORKSHOP STOCHASTIC AND MULTISCALE INVERSE PROBLEMS PARIS (2-3 October) 5. Conclusions • A CPFE model has been developed for Magnesium. • An optimization algorithm has been implemented Inverse analysis. • Numerical results Precise fit Experimental curves • Experimental curves input (representative) predictive capacity • Three Mg alloys were analyzed effect of alloyed elements and Tª on the micromechanical parameters • Future work: • Optimization: Texture inclusion as objective function • Others representations of microstructures • Inclusion of grain boundary effects Crack propagation, fatigue crack initiation, grain boundary sliding