Author Topic: Periodic BCs for non-periodic RVEs  (Read 8811 times)

a118145

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Periodic BCs for non-periodic RVEs
« on: February 23, 2021, 11:46:39 PM »
Dear feap forum,

I was recently wondering how to apply periodic boundary conditions to non-periodic RVEs. I think, this would be a great feature esp. when it comes to the analysis of e.g. CT data obtained from microstructures. My first thoughts went in the direction of using tied interfaces from the contact implementation and somehow tie the two opposing boundaries. However, before looking deeper into it and start the implementation/modification, I would like to get some feedback from you :) Is there a better way? What methods does feap already provide? NB: It has to work in parfeap, too.

Warm regards,

a118145

Prof. S. Govindjee

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Re: Periodic BCs for non-periodic RVEs
« Reply #1 on: February 24, 2021, 01:36:45 AM »
You need to define what you mean by a non-periodic RVE.   Are you saying the geometry is not periodic?  or just the discretization?  or both?

a118145

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Re: Periodic BCs for non-periodic RVEs
« Reply #2 on: February 24, 2021, 04:20:14 AM »
Dear Professor Govindjee,

thanks for pointing that out. I refer to the most general case: non-periodic geometry and hence, non-periodic discretization. However, everything is bounded to a rectangular block domain - just, as if you extracted a cutout from CT data of a real microstructure and used this as RVE.

To be more precise, there are two possible cases for the above scenario:
1) The RVE does not contain any air, ..., which is not being discretized. Hence, the RVE is fully filled with elements and for every point on a periodic boundary, there can be found another one on the corresponding side. However, due to non-periodicity of the meshed structure, both points (technically, it's only one) may belong to different materials. 
2) A porous structure is embedded in the RVE which means that the mapping of two corresponding periodic boundaries may be more complicated. Say, you have more than one material. Then this case is a specialization of 1), if one of the "materials" is air/vacuum/"nothing".

The reason, why I asked about tied interfaces in the first place is the following: Case 1) is pretty similar to contact, since you have two opposing faces (which are identical geometry-wise) but have no matching nodes (except for the corners). Of course you have to make sure, that the faces remain glued together upon tensile loads.

Regards,

a118145

EDIT: Essentially, this is what I want: https://linkinghub.elsevier.com/retrieve/pii/S0045782510001908. So my question is not really about the theory but implementational aspects to make it as easy as possible by (re)using feap-internal structures, which are already there.
« Last Edit: February 24, 2021, 05:43:00 AM by a118145 »

JStorm

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Re: Periodic BCs for non-periodic RVEs
« Reply #3 on: February 25, 2021, 11:14:51 PM »
The mentioned approach and also most other approaches for kinematically coupling operators between both scales yield linear constraints for the DOFs of the RVE.

Some simple couplings, e.g. rule of mixture, homogeneous or linear surface displacements, can be realised by Dirichlet boundary conditions.
Many more approaches, e.g. periodic BCs on periodic meshes, yield inhomogeneous linear constraint with two DOFs involved in each constraint.
Such constraints are relatively easy to realise and implemented in FEAP, see PERIodic which is an extension of the ELINk feature.

The other kinematically coupling operators, e.g. stochastic periodic BCs, weak periodic boundary conditions, minimal constraint coupling (Blanco 2014), etc., yield to general inhomogeneous linear equations with variable number of involved DOFs.
There are multiple methods to handle such constraints in FEM formulations, e.g. penalty method, Lagrange multipliers, elimination (condensation) method.
The penalty method is easy to implement but have poor properties, e.g. problem depending penalty values, compromise between constraint approximation and condition number of the globel system of equations.
Lagrange multipliers are frequently used in literature. Linear and nonlinear constraints can be realised and the implementation can be done on top of standard FEM, e.g. as user macro before the solver. However, the method adds an additional DOF for each constraint, which rapidely increase the computational effort, and the system of equations gets equations with zero diagonal terms, which cannot be handled by every solver.

The elimination method, also called condensation method, assembles constraints similar like Dirichlet boundary conditions into the system of equitations. Thus, one DOF per constraint is removed from the system of equation, which speeds up the solution process. Moreover, the constraints are fulfilled exactly and the properties of the system of equations are preserved. However, an efficient implementation is more complex compared to the two previous methods (see appendix B in DOI:10.1016/j.ijsolstr.2018.02.006 for an overview).
I have very good experiences with the elimination method in FEAP applied to various problems, e.g. homogenisation, adaptive meshing, fracture mechanics, sub-modelling.
I further has implemented reference nodes (nodes not attached to an element), which allow to transform the constraints to homogeneous constraints and make use of all the nice loading features, e.g. PROPortional etc., from FEAP for the macroscopic deformations for an RVE.

Recently, my colleague has extended the implementation for sparse matrices, for parFEAP, which was challenging, and also added Lagrange multipliers for the purpose of direct comparison.
We have structured the code as package to standard FEAP.
FEAP's user interfaces are used wherever possible and only a minimum of FEAP's core files are modified.
After the testing period in FEAP 8.4 and 8.6, we plan to provide the updated package again to Berkeley. Maybe it can become available to others this way.

JStorm

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Re: Periodic BCs for non-periodic RVEs
« Reply #4 on: February 25, 2021, 11:16:08 PM »
By the way, elimination method and Lagrange multipliers for constraints are also available in many commercial codes like Abaqus, Ansys, etc.

a118145

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Re: Periodic BCs for non-periodic RVEs
« Reply #5 on: February 26, 2021, 04:57:17 AM »
Dear JStorm,

Many thanks for your detailed response. I think, the main issue will be the fact, that the DOFs on both sides of the RVE have to be connected via an intermediate surface, which serves as interpolation between the nodal positions (as the nodes are not necessarily corresponding) and field variables.

I totally agree with you, that static condensation is favorable. The paper you linked may be interesting for me as general guideline how to proceed. Thanks for that. I also downloaded the Blanco 2014 paper but this is a bit too long for an instantaneous comment. I will study this later.

By the way, there is a nice alternative to the concept of "master nodes" you were describing: A colleague recently told me, that he solves for the periodic fluctuation in the RVE and not the total value itself. Hence, he only has to make sure coupling of corresponding faces,... However, the periodic boundary condition is applied on element level by adding the mean value of e.g. the deformation gradient to the fluctuation, which enters the element as input. My spontaneous idea for feap would be to call another subroutine on element level, which modifies the element solution vector accordingly depending on a flag before the deformation is passed to a material routine. This could be quite nice for coupled problems or more complicated load cases, where you have time dependent periodic BCs.

Indeed, that would be great:
After the testing period in FEAP 8.4 and 8.6, we plan to provide the updated package again to Berkeley. Maybe it can become available to others this way.

As we are working at the same university, JStorm, I might contact you in person regarding this issue ;)

Warm regards,

a118145

JStorm

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Re: Periodic BCs for non-periodic RVEs
« Reply #6 on: February 26, 2021, 05:51:32 AM »
you are welcome to contact me. now, i am curious who you are  ;)

i am aware of the rve formulation in terms of the fluctuations as degrees of freedom.
however, this formulation simplifies the coupling operators only for certain formulations, e.g. periodic boundary conditions on periodic meshes.
on non-periodic meshes (using the article you have mentioned) or for other couplings, like stochastic periodicity (Gluge), minimal kinematic constraint (Blanco) etc., the formulation still results in general linear constraints, which requires the above mentioned methods.

Prof. S. Govindjee

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Re: Periodic BCs for non-periodic RVEs
« Reply #7 on: February 26, 2021, 10:13:02 PM »
We look forward to seeing what you come up with.  This is a challenging problem.

Prof. R.L. Taylor

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Re: Periodic BCs for non-periodic RVEs
« Reply #8 on: February 27, 2021, 12:04:14 PM »
From your comments, I assumed you want a 3-d case.  FEAP does have a general tied interface for 2-d cases -- this might be adapted to work with an RVE for non-periodic cases as shown in the cited paper.  Also, the Dirichlet (displacement) case should be fairly easy to adapt, as it is nodal based. Thus, solving the value on a matching face would only require interpolating  an element to find the matching point.

Prof. R.L. Taylor

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Re: Periodic BCs for non-periodic RVEs
« Reply #9 on: February 27, 2021, 02:31:28 PM »
Just a simple example to show that the RVE can be solved with a non-periodic mesh for the case where all b.c. are imposed as displacement constraints.

Mesh: Ihill2d is a symmetric mesh
Mesh: Ihill2di is an unsymmetric mesh

Prof. R.L. Taylor

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Re: Periodic BCs for non-periodic RVEs
« Reply #10 on: March 01, 2021, 11:13:00 AM »
A traction (FBAR) option will also work in non-periodic RVE's.  Attached file gives demonstration

Prof. R.L. Taylor

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Re: Periodic BCs for non-periodic RVEs
« Reply #11 on: March 01, 2021, 11:15:20 AM »
Files here.