Modelling and Simulation of Electroactive Materials and Structures

D. Gross1, B.X. Xu2, R. Müller3

1
2 3

Division of Solid Mechanics, TU Darmstadt
Dept. of Material Science, TU Darmstadt Chair of Mechanics, TU Kaiserslautern

TUD Division of Solid Mechanics | ACMFMS 2012 |

Ferroelectrics

Dielectric Elastomers

Ferroelectrets

Hillenbrand & Sessler, 2000

TUD Division of Solid Mechanics | ACMFMS 2012 |

Ferroelectrics
BaTiO3, PZT

electro-mechanical coupling principle
+

T>TCurie: cubic

T<TCurie: tetragonal

P0

+
piezoelectric effect E<Ecoerc

+
polarization switch E>Ecoerc

E

P0

P0
E + -

E

-

 remanent polarization, remanent strain  switching due to electrical and mechanical loads
TUD Division of Solid Mechanics | ACMFMS 2012 |

micro structural aspects
domains damaged domains polycrystal

Schmitt & Kleebe, 2006

Jaffe, 2001

dielectric hystersis

macroscopic behaviour
butterfly hystersis

Boehle, 1999 TUD Division of Solid Mechanics | ACMFMS 2012 |

s [10 ] -3 1 0 -1 -4 -3 -2 -1 0 1 2 3 4 Electric Field. E [kV/mm] Lupascu.Problems 2  electric fatigue under cyclic loading  point defects (oxygen vacancies?)  agglomeration. interaction with domain walls  cracking Strain. 2010 TUD Division of Solid Mechanics | ACMFMS 2012 | . 2005 Deluca. 2002 Utschig.

Phase field model Basic equations Balance laws Constitutive relations : remanent polarization : remanent strain : elasticity tensor : piezoelectric tensor Kinematics and electric potential : dielectric tensor TUD Division of Solid Mechanics | ACMFMS 2012 | .

Phase field model  remanent polarization P is considered as order parameter  extended electric enthalpy : local (classical) electric enthalpy : domain separation energy : interface energy evolution of P (Ginzburg-Landau) TUD Division of Solid Mechanics | AK 2012 | .

local (classical) electric enthalpy interface energy separation energy TUD Division of Solid Mechanics | AK 2012 | .

Numerical implementation  FEM. arbitrary geometry & boundary conditions  nodal degrees of freedom:  implicit time integration of Ginzburg-Landau equation  nonlinearity: Newton iteration required  damping and stiffness matrix required  symmetric system matrix  direct computation of configurational forces TUD Division of Solid Mechanics | ACMFMS 2012 | .

Example: microstructure evolution at a crack tip TUD Division of Solid Mechanics | ACMFMS 2012 | .

Microstructure at stationary crack tip TUD Division of Solid Mechanics | ACMFMS 2012 | .

J integral and configurational forces TUD Division of Solid Mechanics | ACMFMS 2012 | .

configurational forces TUD Division of Solid Mechanics | ACMFMS 2012 | .

Dependence on applied electric field  positive electric field inhibits crack initiation  negative electric field Wang & Singh 1997 TUD Division of Solid Mechanics | ACMFMS 2012 | promotes crack initiation .

Crack face boundary conditions  permeable:  impermeable:  semipermeable:  energy consistent: TUD Division of Solid Mechanics | ACMFMS 2012 | .

Influence of boundary conditions TUD Division of Solid Mechanics | ACMFMS 2012 | .

Open questions  influence of 2d/3d character  boundary conditions for order parameter (polarization)  conditions at grain boundaries in poly-crystals  initial conditions (virgin state of the material)  origin of the characteristic spacing of domains  importance of surrounding fields  motion of point defects in the „phase field continuum“ TUD Division of Solid Mechanics | ACMFMS 2012 | .

dielectric elastomer actuators piezo actuator soft actuator  coupling through constituive laws  small displacements  large actuation force  coupling through electrostatic volume forces: MAXWELL stresses  large displacements  small actuation force TUD Division of Solid Mechanics | Dresden 2011 | .Dielectric Elastomer Actuators piezo actuators vs.

Basic equations Balance laws MAXWELL stress Constitutive relations (actual configuration) Neo Hooke Kinematics and electric potential TUD Division of Solid Mechanics | ACMFMS 2012 | .

Analysis of electro-mechanical stability initial dimension: deformed dimension: TUD Division of Solid Mechanics | Dresden 2011 | .

Constitutive equations Equilibrium TUD Division of Solid Mechanics | Dresden 2011 | .

Equilibrium configuration Stability (Lagrange multiplyer strategy) TUD Division of Solid Mechanics | Dresden 2011 | .

Neo-Hooke model special case: Zhao & Suo. 2007 TUD Division of Solid Mechanics | Dresden 2011 | .

arbitrary geometry & boundary conditions  perfect agreement between analytical and numerical results  simulation and optimization of composites possible  direct computation of configurational forces possible  simulation of dynamic response TUD Division of Solid Mechanics | ACMFMS 2012 | .Numerics  FEM.

homogeneous inhomogeneous barium titanate particle TUD Division of Solid Mechanics | ACMFMS 2012 | .

Charge Density Evolution of Ferroelectrets diel 1 diel interface 2  piezoelectric 2 phase material (composite)  specific interface properties  (macroscopic) coupling through constitutive law  (microscopic) coupling through electrostatic volume forces: MAXWELL stresses  large displacements TUD Division of Solid Mechanics | ACMFMS 2012 | .

1st breakdown breakdown criterion backfield evolution charge density evolution TUD Division of Solid Mechanics | ACMFMS 2012 | .Basic equations no breakdown: 2 dielectric materials charge density.

Numerics  incremental time integration of internal variables  similar to plasticity with kinematic hardening  nonlinear FEM implementation  specific (embedded) interface element Example: FEP – ePTFE unit ePTFE FEP TUD Division of Solid Mechanics | ACMFMS 2012 | .

TUD Division of Solid Mechanics | ACMFMS 2012 | .

B B C C TUD Division of Solid Mechanics | ACMFMS 2012 | .

Conclusions  modeling & simulation offers a deeper insight in coupled problems  allows to replace (some) experiments  allows to analyze and optimize structures  nonlinear FEM and use of configurational forces often advantageous TUD Division of Solid Mechanics | ACMFMS 2012 | .

interface energy separation energy TUD Division of Solid Mechanics | AK 2012 | .

Configurational forces configurational force balance Eshelby stress tensor. config body force  inhomogeneities (singularities) cause configurational forces  resultant configurational force:  configurational force on a point defect:  configuartional traction acting on an interface:  driving force at a domain wall:  overall driving force: TUD Division of Solid Mechanics | ACMFMS 2012 | .

Poling phase 1 : from random distribution towards equilibrium phase 2 : application of an external field TUD Division of Solid Mechanics | AK 2012 | .Microstrucure evolution.

3D microstructure evolution potential free b. TUD Division of Solid Mechanics | ACMFMS 2012 | .c.

3D electric poling TUD Division of Solid Mechanics | AK 2012 | .

Influence of domain wall energy TUD Division of Solid Mechanics | AK 2012 | .

Domain wall thickness ϵ = 8.0 e-7 m TUD Division of Solid Mechanics | AK 2012 | .

0 e-7 m TUD Division of Solid Mechanics | AK 2012 | .Domain wall thickness ϵ = 5.

0 e-7 m TUD Division of Solid Mechanics | AK 2012 | .Domain wall thickness ϵ = 2.

c.Size effect: thin films Electric b.c. TUD Division of Solid Mechanics | AK 2012 | . Robin b.

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