Applications in Solid Mechanics Fifth deal.II Users and Developers - - PowerPoint PPT Presentation

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Applications in Solid Mechanics Fifth deal.II Users and Developers - - PowerPoint PPT Presentation

Applications in Solid Mechanics Fifth deal.II Users and Developers Workshop Texas A&M University August 4, 2015 A McBride BD Reddy S Bartle, A de Villiers, B Grieshaber, M Hamed, J-P Pelteret, T Povall, N Richardson Centre for Research in


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SLIDE 1

Applications in Solid Mechanics

Fifth deal.II Users and Developers Workshop Texas A&M University August 4, 2015

A McBride BD Reddy S Bartle, A de Villiers, B Grieshaber, M Hamed, J-P Pelteret, T Povall, N Richardson

Centre for Research in Computational and Applied Mechanics, University of Cape Town, South Africa

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SLIDE 2

DEAL.II AND CERECAM

Centre for Research in Computational and Applied Mechanics: ๏multidisciplinary research centre with 12 members from various faculties and departments ๏postgraduate eduction in mechanics is a key objective

๏ 6 courses in FE, continuum mechanics, C++, deal.II (computational FEA) ๏ MSc and PhD supervision ๏ unique facility in (South) Africa

fmuid mechanics. Areas of activity in solid

deal.II and CERECAM ๏decision made in 2008 to use deal.II as base for code development

๏ SIAM news article on deal.II winning the Wilkinson Prize in 2007 ๏ lacked the critical mass to develop own in-house code ๏ even if we had the mass, we would be small number of isolated individuals reinventing the wheel in a country far away…

๏5 MSc projects and 8 PhD projects used deal.II in CERECAM to date

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SLIDE 3

OVERVIEW OF PRESENTATION

๏Overview of several of the research projects using deal.II

  • 1. IP methods for problems in elasticity
  • 2. Thin-shells with applications in biomechanics
  • 3. Patient-specific FSI for vascular access in haemodialysis patients
  • 4. Surface elasticity
  • 5. Single crystal plasticity
  • 6. Homogenisation of material layers
  • 7. Friction-stir welding

๏What would I like to see (or be encouraged to implement) in deal.II

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SLIDE 4

๏Locking:

๏ The poor behaviour of low-order conforming finite element approximations for problems of near-incompressible or incompressible elasticity

๏Some remedies:

๏ selective reduced integration (SRI) ๏ mixed DG methods for meshes of low-order quadrilateral or hexahedral cells ๏ primal DG methods for triangular elements…convergence analysis similarly restrictive

๏Context:

๏ we assumed we could simply use a primal DG formulation in deal.II, circumvent locking and move on to the actual problem…

๏our remedy: SRI on edge terms for IP methods

Contrary to initial expectations, numerical experiments with the IP methods show that bilinear quadrilateral elements, while performing very well for highly com- pressible materials, perform poorly for the nearly incompressible case, unlike their triangular counterparts. Figures 5.2 to 5.4 show sets of results that will be discussed

IP METHODS FOR PROBLEMS IN ELASTICITY

OR WHY IT’S GOOD NOT TO HAVE TETRAHEDRAL ELEMENTS IN DEAL.II

❖ Grieshaber (2013) PhD ❖ GRIESHABER, MCB, REDDY (ACCEPTED), SINUM div σ (u) = f

σ (u) := 2µε (u) + λtr ε (u) 1 = 2µε (u) + λ (r · u) 1,

λ = Eν (1 + ν) (1 2ν), µ = E 2 (1 + ν)As ν ! 1

2

  • λ ! 1.
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SLIDE 5

DG FORMULATION

∈ aUI

h (uh, v) = lUI h (v)

aUI

h (u, v) =

X

Ωe∈Th

Z

Ωe

σ (u) : ε (v) dx + θ 2µ X

E∈ΓiD

Z

E

b buc c: { {ε (v)} }ds + θ λ X

E∈ΓiD ngp

X

i=1

[b buc c: { {r · v1} }] |piwi 2µ X

E∈ΓiD

Z

E

{ {ε (u)} }: b bvc cds λ X

E∈ΓiD ngp

X

i=1

[{ {r · u1} }: b bvc c] |piwi + kµ µ X

E∈ΓiD

1 hE Z

E

b buc c: b bvc c ds + kλ λ X

E∈ΓiD

1 hE

ngp

X

i=1

[[[u]][[v]]] |piwi, lUI

h (v) =

X

Ωe∈Th

Z

Ωe

f · v dx + θ 2µ X

E∈ΓD

Z

E

(g ⌦ n) : ε (v) ds + θ λ X

E∈ΓD ngp

X

i=1

[(g ⌦ n) : (r · v 1)] |piwi + kµ µ X

E∈ΓD

1 hE Z

E

(g ⌦ n) : (v ⌦ n) ds + kλ λ X

E∈ΓD

1 hE

ngp

X

i=1

[(g · n) (v · n)] |piwi + X

E∈ΓN

Z

E

h · v ds.

standard formulation:

to ngp = 2)

NIPG: SIPG: IIPG:

θ = 1 θ = −1 θ = 0

u = g

  • n ΓD,

σ (u) n = h

  • n ΓN.

❖ GRIESHABER, MCB, REDDY (ACCEPTED), SINUM

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SLIDE 6

COOK’S MEMBRANE PROBLEM

(a) NIPG (b) IIPG (c) SIPG

locking-free response for triangular elements

(a) NIPG (b) IIPG (c) SIPG

locking for quadrilateral element

). ν = 0.49995.

, E = 250.

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SLIDE 7

COOK’S MEMBRANE PROBLEM

(a) Modified SIPG (b) Modified IIPG

neps SG SG Q2 NIPG — UI IIPG — UI SIPG — UI Skewed mesh 4 1.3855 5.99901 2.07077 4.67802 2.08011 4.6961 2.21427 4.72803 8 1.95749 7.06822 2.12496 6.13406 2.08011 4.6961 2.21427 4.72803 16 2.01279 7.49608 2.24957 7.14275 2.15449 7.14171 2.28465 7.14403 32 2.19539 7.64827 2.633127 7.54839 2.38855 7.54625 2.50211 7.54509 Unstructured mesh 32 3.054 7.66333 5.44538 7.61069 4.42923 7.60888 4.5467 7.60599

locking-free response for quadrilateral elements using modified formulation vertical deflection of point A A

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SLIDE 8

3D CUBE SUBJECT TO BODY FORCE

❖ GRIESHABER, MCB, REDDY (IN REVIEW)

(a) Exact solution (b) Modified NIPG (c) Modified IIPG (d) Modified SIPG

locking-free response for quadrilateral elements using modified formulation

(a) Exact solution (b) NIPG (c) IIPG (d) SIPG

locking for quadrilateral element

convergence deteriorates upon refinement

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SLIDE 9

APPLICATIONS OF THIN SHELL THEORY IN BIOMECHANICS

OR HOW TO TRICK DEAL.II TO HANDLE LOWER-DIMENSIONAL MANIFOLDS PRIOR TO CODIMENSION ONE AND MANIFOLDS

๏ Treat the 3D body as a 2D surface with a director at each point ๏ Formulate problem in terms of quantities averaged through the thickness (see SIMO & FOX) ๏ SRI through the thickness to prevent membrane locking ๏ account for transverse isotropy and incompressibility

aortic clamping artificial heart valves

❖ Bartle (2009) MSc

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SLIDE 10

PATIENT-SPECIFIC FSI FOR VASCULAR ACCESS IN HAEMODIALYSIS PATIENTS ๏Resulting flow rates up to 30 times physiological norms ๏Flow in vein significantly altered ๏Repeated needling leads to pseudo aneurysms Objective: ๏Develop a patient specific FSI model of arteriovenous vascular access configurations, verified by in vivo MRI data

❖ de Villiers (current) PhD

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SLIDE 11

FSI MODEL

Navier-Stokes in ALE setting Balance linear momentum (solid) Transverse isotropy Harmonic mesh motion

❖ WICK (2011) FLUID-STRUCTURE INTERACTIONS USING

DIFFERENT MESH MOTION TECHNIQUES. COMPUTERS &

STRUCTURES ❖ WICK (2013). SOLVING MONOLITHIC FLUID-STRUCTURE

INTERACTION PROBLEMS IN ARBITRARY LAGRANGIAN

EULERIAN CO-ORDINATES WITH THE DEAL.II LIBRARY. ARCHIVE OF NUMERICAL SOFTWARE

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SLIDE 12

VALIDATION AND EXTENSIONS

๏Extended model to 3D ๏Parallel direct solver (SuperLU) ๏Windkessel outlet boundary condition for physiologically meaningful flow split

Incompressible finite elasticity with transverse isotropy Turek flag

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SLIDE 13

CURRENT STATE: CFD MODEL

simpleware + ANSA

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SLIDE 14

๏Surfaces behave differently from the bulk

๏ broken bonds on surface, coatings, oxidation, …

๏Are surface effects significant? ๏Objective: capture surface effects within a continuum model

๏ accounting for surface using surface elasticity theory of GURTIN & MURDOCH (1975) ๏ solid and fluid-like surfaces ๏ fully nonlinear theory ๏ to provide details of numerical implementation

๏ generally restricted to linear theory

SURFACE ELASTICITY

∝ b Ψ Ψ

dA dV

surface energy bulk energy surface tension H20 carbon nanotubes ❖ JAVILI, MCB, STEINMANN & REDDY (2014), COMP MECH ❖ SURFACE ELASTICITY ON bitbucket.org ❖ Davydov, Javili, Steinmann, McB (2013), in Surface Effects in Solid Mechanics

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SLIDE 15

KINEMATICS OF SURFACE ELASTICITY

๏Surface is coherent: ๏Surface deformation gradient is rank deficient ๏ inverse defined via relations:

b ϕ = ϕ|∂B0 b f · b F = b I =: I − N ⊗ N and b F · b f = b i =: i − n ⊗ n .

y F := ∂x/∂X

erse f := ∂X/∂x

b ations are denote re b F := ∂b x/∂c X

from differential y b f := ∂c X/∂b x

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SLIDE 16

GOVERNING EQUATIONS

Strong form: balance of linear momentum balance of angular momentum

  • - - - - - - - - - - - - - - - - - - - - - - -
  • - - - - - - - - - - - - - - - - - - - - - - -

DivP + bp

0 = 0

, F · Pt = P · Ft in B0 d Divb P +b bp

0 − P · N = 0

, b F · b Pt = b P · b Ft

  • n S0

b b b b b Weak form: Z

B0

P : Gradδϕ dV + Z

S0

b P : d Gradδb ϕ dA − Z

B0

δϕ · bp

0 dV −

Z

SN

δb ϕ ·b bp

0 dA = 0

∀δϕ ∈ H1

0(B0) , ∀δb

ϕ ∈ H1

0(S0)

surface divergence theorem

Z

S0

d Div {b

  • } dA =

Z

C0

{b

  • } · b

N dL − Z

S0

b C {b

  • } · N dA

b P · N = 0

superficial tensor b C = −d DivN twice mean surface curvature

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SLIDE 17

CONSTITUTIVE RELATIONS

J := DetF : Jacobian determinant µ , λ : Lam´ e constants Free energy Ψ(F) = 1

2 λ ln2 J + 1 2 µ [F : F − 3 − 2 ln J]

Piola stress P(F) = ∂Ψ ∂F = λ ln J f t + µ [F − f t]

bulk

b J := d Detb F : Surface Jacobian determinant b µ ,b λ : Surface Lam´ e constants b γ : Surface tension Surface Free energy b Ψ(b F) = 1

2 b

λ ln2 b J + 1

2 b

µ [b F : b F − 2 − 2 ln b J] +b γ b J Surface Piola stress b P(b F) = ∂b Ψ ∂b F = b λ ln b J b f t +b µ [b F − b f t] +b γ b J b f t

surface

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SLIDE 18

Th b Th M volume surface Ωe,0 b Ωe,0

NUMERICAL IMPLEMENTATION

๏manifolds: set of routines to compute on lower-dimensional manifolds (surface) embedded in higher-dimensional space ๏independent volume and surface meshes, dof linked via map ๏coherent surface: surface dof are not independent ๏large portions of user code parallelized (shared) using TBB ๏Newton-Raphson strategy with exact tangent computation ๏Q1 elements in volume and on surface

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SLIDE 19

(A)

Ψ(F) = 1

2 λ ln2 J + 1 2 µ [F : F − 3 − 2 ln J]

๏Membrane with surface tension acting in material configuration ๏Volume with vanishing strength ๏Incrementally increase surface tension

b b b b Ψ(b F) = 1

2 b

λ ln2 b J + 1

2 b

µ [b F : b F − 2 − 2 ln b J] +b γ b J

EXAMPLE PROBLEM: SURFACE TENSION

(B)

|u|

b γ

(A) (B) 5 10 2 7 0.1 0.2 0.3 0.4 0.5 0.6 0.637 midpoint deflection

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SLIDE 20

EXAMPLE PROBLEM: SMALL STRUCTURES

b λ/λ = 0 b λ/λ = 1

|u|

rough surfaces:

| b P | |P |

nano-wires: Interface elasticity in polymer-filled nanoporous metals

❖ BARGMANN, WILNERS (TUHH, HELMHOLTZ GEESTHACHT)

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SLIDE 21

HETEROGENEOUS MATERIAL LAYERS

Objectives: ๏Describe material layers within a continuum

๏ adhesive bonding, laminated composites, geomaterials, masonry structures, etc.

๏Layer has distinct material properties and heterogeneous microstructure ๏dictate the overall response of the continuum ๏To determine the constitutive response of the layer using computational homogenisation

๏ accounting for in-plane deformation of layer

layer in geological material

HIRSCHBERGER ET AL (2009)

❖ MCB, MERGHEIM, JAVILI, STEINMANN, BARGMANN (2012), JMPS

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SLIDE 22

KINEMATICS OF MATERIAL LAYERS

B

B

+

M X c M ∂B0 N M

+

M

I0 ∂I0 c X

material configuration

b ϕ

B

+ t

B

− t

x It I

+ t

I

− t

ϕ m b x+

b x

b x−

spatial configuration

F (X, t) = Gradϕ(X, t) b F := [ Gradb ϕ(c X, t)

deformation gradients

b I = b P0 = I − M ⊗ M [ Grad {b

  • } := Grad {b
  • } · b

I a b P0 · a c X

c M M

projection and surface gradient

{•} {•} {e

  • } {−

  • }
  • verbar : macro
  • therwise

micro

b F F

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SLIDE 23

HOMOGENISATION

X M

M

+

B

+

B

M

I

+

I0 I

J•K = •|I+

0 − •|I−

c X

๏Standard approach

๏ constitutive traction separation law*

*see e.g. NEEDLEMAN ET AL (1987,1993), MOSLER & SCHEIDER (2011)

JϕK e t0

constitutive law

๏Approach of HIRSCHBERGER ET AL (2009)

๏ constitutive traction separation law replaced by micro-scale simulation to capture heterogeneities

microscale

JϕK e t0 b P = 2b F · ∂ b

C b

ψ0

๏extend above using interface theory of GURTIN & MURDOCH (1975)

๏ interface has own energetic structures (Helmholtz energy): ๏ account for in-plane deformation b P b F

microscale

JϕK e t0

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SLIDE 24

MICRO-TO-MACRO TRANSITIONS

B

B

+

B

+ t

B

− t

ϕ F I0 It

macroscopic scale

I

+ t

I

− t

c X

b x+ b x−

b x

material configuration spatial configuration

JϕK

e t0

b P

ϕ F x Bt ∂Bt b F B0 X

microscopic scale

∂B0

B0 ⊂ R3

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SLIDE 25

EXAMPLE PROBLEM

๏ boundary conditions imposed via linear constraints ๏ currently solving micro-scale problem assuming macroscopic kinematic data 1 1 0.5

B0 ∂Bint,+ ∂Bint,− B

B

+

I0

macroscopic scale microscopic scale

rve ∂Bpln,+ ∂Bpln,− c X

consider two scenarios: void and stiff inclusion neo-Hookean material

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SLIDE 26

NUMERICAL RESULTS

JϕK = [0.5 0 0.5]t

(e) b F = 2 4 1.5 1 3 5

kτk

(a)

JϕK = [0 0 0.5]t

(b)

JϕK = [0.5 0 0]t

(c)

JϕK = [0.5 0 0.5]t

b F = 2 4 1.5 1 3 5 (d) (f b F = 2 4 1 1 1.25 3 5

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SLIDE 27

SINGLE CRYSTAL PLASTICITY

T E = ru S EY

EY Ee E = Ee + Ep

T T

Ep

❖ Richardson (2012), MSc ❖ POVALL (2013), MSC ❖ POVALL, MCB, REDDY (2014), COMP MAT SCI

sa ¼

sa r ma;

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SLIDE 28

GRADIENT SINGLE CRYSTAL PLASTICITY

small

h l = 25 h l = 125 h l = 1.25

big

Constrained shear. Double slip system Joint work with Daya Reddy and Morton Gurtin

1

2h l = ∞ 2h l = 1.25

0.002 0.004 0.006 0.008 0.01 0.5 1 1.5 2 2.5 3

ϒ σ12 / µ × 10 2h/l = ∞ 2h/l = 1.25

Shear with elastic

  • inclusions. Double

slip system

2

๏Classical model of plasticity lack an inherent length scale:

๏ cannot capture experimentally observed size effects: smaller is stronger

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SLIDE 29

SINGLE CRYSTAL PLASTICITY: HARDENING RELATIONS

lattice configuration

Fe Fp

L ¼ $xv ¼ @vi @xj ei ej ¼ Le þ FeLpFe1;

divr þ b ¼ 0;

Lp ¼ X

a

masa ma:

/aðsa; SaÞ ¼ jsaj Sa 6 0: ka P 0; /aðsa; SaÞ 6 0 and ka/aðsa; SaÞ ¼ 0: _ Sa ¼ X

b

habðSÞjmbj; Sajt¼0 ¼ S0;

habðSbÞ ¼ vabhðSbÞ |fflfflfflfflffl{zfflfflfflfflffl}

self hardening

þ q 1 vab

  • hðSbÞ

|fflfflfflfflfflfflfflfflfflfflfflffl ffl{zfflfflfflfflfflfflfflfflfflfflfflfflffl}

latent hardening

;

where q > 0 is an interaction constant

reference configuration V0

X

  • bserved configuration

x = ϕ(X, t)

F V x

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SLIDE 30

SINGLE CRYSTAL PLASTICITY: HARDENING RELATIONS

๏Highly nonlinear problem

๏ irreversible plasticity and nonlinear hardening ๏ geometric and constitutive nonlinearities ๏ incompressible plastic deformation ๏ rate dependency to regularise the problem

๏Solved using a predictor-corrector algorithm

๏ inner Newton scheme at each quadrature point to compute slip and hardening (2x12 for FCC crystal) ๏ exponential approximation for plastic deformation gradient evolution ๏ fixed-point algorithm used for initial guess for implicit hardening

๏Multithreaded using TBB ๏Would be nice to extend to allow for adaptivity…projection qp data

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SLIDE 31

SINGLE CRYSTAL PLASTICITY: HARDENING RELATIONS

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SLIDE 32

FRICTION WELDING AND PROCESSING

๏A family of solid state joining processes that rely on friction for heat generation ๏A region of plasticised material is formed at the interface between the workpieces ๏Forge force is maintained as the workpieces cool back down

❖ M Hamed (current) PhD (an attendee of the deal.II workshop in Cape Town)

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SLIDE 33

MATHEMATICAL MODELLING OF FRICTION WELDING

๏ Coupled thermo-viscoplasticity ๏ Finite deformations:

๏ Lagrangian-Eulerian-like nature to the process

๏ Thermomechanical multi-body friction and contact ๏ Microstructural texture evolution and grain growth

J div τ + ρb = ρ˙ v ρ ˙ ψ = Jτ : d div q ˙ ηθ η ˙ θ

Balance linear momentum and energy Thermoplasticity

g(x, ¯ y(x))  0 tN := n (¯ y(x)) · σ n (¯ y(x)) 0 tN g(x, ¯ y(x)) = 0

h(x, ¯ y(x)) := ktTk µtN  0 ξ 0 ξh(x, ¯ y(x)) = 0 Normal contact constraints Tangential contact constraints

τ = pJ1 + dev[τ] Φ = kdev[τ]k r 2 3[K 0(αn) + ˆ y(θ)]  0 λ 0 , λΦ = 0

Thermoplasticity

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SLIDE 34

WEAK FORM AND IMPLEMENTATION

Z

n div

u¯ pJ + r

u · dev[τ]

  • dΩ

− ⇢Z

Ω ∗

u · fdΩ + Z

Γ ∗

u · tdΓ

  • +

⇢Z

Γ ∗

g tNdΓ

  • = 0

Z

⇢∗ θ h c ˙ θ − Dmech + ¯ H i + r

θ · q

  • dΩ

− ⇢Z

Ω ∗

θ ¯ RdΩ + Z

Γ ∗

θ [−S] dΓ

  • = 0

Balance linear momentum and contact Balance energy

๏Distinct kinematics from constitute relations ๏Parallel aware contact search ๏Linearisation of the contact term requires the gradient of the Hessian….

๏ work in progress

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SLIDE 35

CONTACT WITH PLASTICITY AND HEAT TRANSFER

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SLIDE 36

SOME OBSERVATIONS

Vast majority of problems in nonlinear solid mechanics involve: ๏complex material response:

๏ elasticity, viscoelasticity, plasticity, coupled-problems etc ๏ linearisation of the constitutive relations is arduous and error prone ๏ an error in the residual often independent to another error in the tangent ๏ handling of internal variables (stored at quadrature points, for example)

๏relatively standard element choices ๏robust nonlinear Newton scheme for monolithic equation system

๏ fully-implicit or semi-implicit scheme ๏ exact tangent often required ๏ line-search, time-step or load control critical

๏spatial adaptivity often critical

๏ e.g. phase field models for fracture (see e.g. HEISTER, WHEELER, WICK (2015), CMAME)

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SLIDE 37

AUTOMATIC DIFFERENTIATION TOOLS

๏Been involved in some projects recently that use Mathematica-based FE code generator

grain boundaries (finite gradient crystal plasticity)

❖ Gottschalk (2015) PhD (Hannover)

(b)

❖ McB, Bargmann, Reddy (2015), Comp Mech

gradient crystal thermoplasticity

๏Similar functionality exists via Sacado (AD) coupled to NOX (Nonlinear solver) in Trilinos: detailed, focussed tutorial missing…I (we) would like to add one AceGen AceFEM Abaqus FEAP

C code user element F code

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SLIDE 38

THANK YOU

๏ special thanks to all developers and users of deal.II ๏ open-source libraries of this nature can have a huge impact on science development in emerging and developing countries