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Phase Field Modeling - Science topic
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Questions related to Phase Field Modeling
Can somebody explain the difference in two terms : Interface tracking methods, and interface capturing methods in the context of multiphase flow modelling?
There are multiple methods, like, phase field model, level set, which categories do they fall in and why? if someone can help clarify this. please.
Dear researchers,
A rectangular steel plate specimen with a central diamond-shaped defect is subjected to uniaxial loading, as shown in the figure. I aim to investigate the mechanisms of crack initiation and propagation at the defect under impact loading. Currently, I have conducted stress field analysis of pre-existing crack tips under static loading conditions, while for impact loading, I am attempting to apply elastoplastic fracture mechanics methods. I have noticed that many scholars currently utilize phase-field models, peridynamics, XFEM, cohesive zone models, and commercial finite element software such as Abaqus to simulate such problems. How effective are these methods? Are there any more advanced methods available to accurately characterize such issues?
Thank you for your insights.
I'd like to know the procedure to find the width of deposited track of the fluid which is simulated (3D simulation) using two phase flow phase field method COMSOL multiphysics
I want to simulate droplet generation in comsol. I already know how to simulate droplet formation using level-set method when there're two phases. But now I need to simulate generation of droplets with "cores and shells". Cores of the droplets never meet the continuous phase which is in contact with the droplets shells.
So, I was thinking maybe I can use 2-phase level set method twice? Once between the core and the shell and once between the shell and the continuous flow.
I tried using this approach but I failed. I'm wondering if this approach is even correct? I mean, I might be doing something wrong in using level set method for 3 phases, and I can fix it if it's not scientifically wrong, but if it's scientifically wrong then I should go with another method(like phase field).
There's a picture of what I am going to simulate in the attached file.
I will be really grateful if you help me. Thank you
Hi !
I'm trying to model a three phase flow in Comsol multiphysics. So I used the "ternary phase field model" but I'm very skeptical about it since it couples the mobility and the capillarity (I looked at the original article but I'm not convinced at all one has to do it this way).
I mean that when the spreading constant $\Sigma_i$ is negative, the mobility starts having not physical values.
So my idea was to use 2 binary phase field models together and couple the equations. Unfortunately and as expected it is very difficult and I don't manage to make it converge.
Has anybody ever used the ternary mixture model ? What's your experience regarding the point I discussed ? Have you ever tried to couple 2 binary mixture models to model a ternary mixture model ?
I'm using the last version of Comsol.
Thank you in advance
Joseph
Hello.
We are writing a master thesis on microstructures of composite materials and we want to combine the cohesive zone model (CZM) for delamination of fibres and the phase-field model (PFM) for matrix/fibre failure in Abaqus.
I started off by constructing a CZM for a very simple 2D unit cell, where I defined cohesive contact between two separate parts in an assembly; e.g. fibre and matrix.
My partner has tried to implement phase-field modelling and has found a code she can implement. However, the description states that the only way to make the code work is to have an assembly as one merged part.
I have tried to research possibilities but had no success in implementing a CZ surface for the model as a merged part consisting of fibre and matrix material. Do you have any suggestions on how to do it?
We want to use a cohesive surface, not elements, to make the model as simple as possible.
We are also very new to Abaqus, so any help or reference is welcome :)
Hello, I am interested in the simulation of island growth by the deposition of adatoms. As a beginner, which software is better to use; for example, the open-source MOOSE framework or COMSOL multiphysics? Thank you in advance.
I've researched some papers, most refer to bubble/water dynamic simulation with species concentration variation use VOF method, just one by phase field and only study the surfactants distributed along the interface between bubble and water.
I was forced to study the bubble/water dynamic simulation with species concentration variation distributed in the whole water region without bubble, my tutor is averse to permit me to research it by any methods other than phase field. Any friends would like to give me an explicit answer whether it works or any recommended papers to persuade my tutor?
Very appreciate it!!
Hello researchers, I have a question about phase field models that I was hoping someone could help me or point me in the right direction.
I understand that phase field models generally start from a energy density function, which is then formulated into an "evolution" equation that describes how the system evolves in time. My question is, if I only have the phase field evolution model instead (a differential equation, describing the evolution of boundaries in time), how do I calculate the total free energy of the system at any given point?
Is this something you can help me with, or point me to some articles that can help?
Thanks very much,
Ali
I need the value of double partial differentiation of Gibbs energy (d^2G/dX^2)_eq at the equilibrium of a system. Does thermocalc/pandat calculate this term? If not, how can I get it from thermodynamic database?
Hello,
For the phase-field simulation of morphology evolution, I am using COMSOL multiphysics.
For my simulations, I use a time of 10s, which takes ten hours to run. Does this modeling require a long simulation time? Thank you in advance.
Hello,
I'm currently working on modelling multiphase flow with phase field, I'm using the PDE toolbox to simulate the phase field equation.
As described in this article: https://www.comsol.com/paper/adaptive-mesh-refinement-quantitative-computation-of-a-rising-bubble-using-comso-64111 AMR should lead to to massivley improved performance. But I'm not able to reproduce the results presented in the article. Does anyone has experience in time dependent AMR for multiphase flow in Comsol and could give me a hint what are the proper paramater in the AMR solver of COMSOL?
Thanks a lot.
Best regards,
Lukas
Hello,
Would you have an idea on how to model stable regular networks in a phase field model ?
For instance a square network like in the joined picture (the picture was made artificially) ? I know that the Swift-Hohenberg equation allows to create some regularity but I would like to control more the size of the network and the distance between the branches, and maybe the type of network.
Thank you in advance :)
I have a 2D simulation of the capillary rise between two identical parallel plates. I am using the Phase Field method and the software COMSOL Multiphysics. For validation I am using this paper: https://onlinelibrary.wiley.com/doi/epdf/10.1002/ceat.201500089
My problems are:
1) I don't get the capillary height from the paper
2) The water/air interface won't settle down to an equilibrium. Even after 15 seconds it still moves
Did anyone ever had the same problem and knows how to fix it?
Thanks a lot.
Phase field method is applied to the solidification of alloy. Could anyone explain the main steps for this method? What information from phase diagram can be used? How to determine the parameters used in the phase field model? What materials or articles can be recommended for a beginner?
Thank you!
Dear all,
I am looking for a research work that implemented an uncertainty or statistical framework to study the impact of the geometric parameters on the fracture response.
I appreciate any help.
Thank you in advance,
Moj Ab
Hi all,
I am working on Phase-Field UEL for hyperelastic materials. I am using codes of Dr Molnar ( http://www.molnar-research.com/tutorials_videos_3.html) to develop hyperelastic material. I have tried to replace the UMAT with my hyperelastic UMAT in the UEL and call the UMAT for stiffness but it's not working and resulting in negative Jacobian.
Any suggestions in implementing hyperelastic UMAT in UEL. Please let me know.
Thanks & Regards,
Sri Harsha
I am compiling a collection of papers that use the phase field method for scientific discovery. Many phase field papers develop a model and then make comparisons to experiments or simulations to prove that the model is working. I am interested in papers that use a phase field model to investigate physical behavior and make useful scientific conclusions. I am aware of some, but I am sure there are some I am not aware of. Please provide me with ideas.
Thanks!
Hello
Kindly refer the free energy functional for systems with elements A-B and A-B-C, in the attached image.
My question is, why the gradient of the dependent element (A) appears in multi-component system (2), while not considered in binary system (1)? It would be also better if you attach any references for derivation of (2).
Thank you!
I am going through research papers in phase-field modeling and every paper has different free energy functional equation. Where those equation come from? How to decide which equation is appropriate for your situation? Is there any book you should follow?
I am currently doing a Ph.D. in the field of simulation of hydrogen storage materials. I have to simulate the process where hydrogen get absorbed into a mixture and form a metal hydride through a chemical reaction. At the molecular level, we use Lammps to understand the diffusion process. I have to use this result at the macro level. Could anyone suggest some open source softwares that are popular in the market for this kind of work?
(Note: Problem Solved)
I am trying to define the phase field equation in the picture, using Coefficient form (or maybe convection-diffusion) PDE in COMSOL. However, I have a problem defining the second line, as there is no equivalent for these two terms in the COMSOL pre-defined equation. How would you do that?
#COMSOL #PDE #Phase-Field #PF #phasefield
Hey there,
I want to simulate & analyze the fracture and fatigue (crack growth) in the rear axle housing of heavy tracks (Volvo company) in Abaqus.
My question is which method is suitable for this research and how I can find the geometry and the mechanical & fatigue properties for this specific vehicle?
(If there is any related paper/thesis or anyone can help me, please let me know.)
Thank you
I've read many papers, most of which consider Landau energy, elastic energy, electric energy, elastic energy, gradient energy, and electrostrictive coupling energy. Why don't researchers consider piezoelectric effect? As far as I know, same strain would be generated when applying electric fields with opposite direction for electrostrictive effect, while different strains would be generated for piezoelectric effect.
I am working on simulation of aluminum alloy A356 solidification. However, in real phenomena, it undoubtedly involves hydrogen porosity. However, all phase field models tell you about grain growth, but not on gas and shrinkage porosity. Are Phase-field methods incapable of simulating microstructure with defects?
Hello everyone.
I am looking for the grid points of grain boundaries(blue sections).Is there a way to aciheve them by image processing in Matlab?.
Thanks.
Dear all,
I have recently implemented a standard phase field model for dendritic solidification and have received several requests to make the model available to others as a basis for further development. I am now looking for a way to publish the model in a suitable way. I was thinking of publishing it on GitHub with a DOI by Zenodo, so that a defined version of the model can be referenced. Does that make sense?
Now I'm wondering under which type of license the model should be published. I was thinking of the LPGL license, so that further developments are made available to others. Does that make sense?
I am looking forward to your feedback
Nils
Hello.
I would like to define an initial microcomputer with specific average grain size by using vorronoi diagram in phase field method. I have measured the average grain size experimentally, but when define specific grain numbers in my micro structure, the average grain size differs from my experimental result.
Kindly appreciated if i have suggestion for defining correct grain size based on the experimental average grain size.
Hello.
In the modeling of recrystallization using phase field model, some authors chose a value such as 1e9 for nucleation density. But there is not reason for selecting this kind of value or it is not clearly explained why this value!.
I'd like to know the basis of defining this physical parameter.
Thanks
Hello.
the below code calculates the eta2. The aim of this code is showing the micro structure by imagesc in Matlab. I attached the m.file and it contains the values of etas. I'd like to set custom color for each of grains and display colorful grains. I tried colormap, but it just changes the color of all grains. they have same colors by using colormap option. Also, i attached the related code. I'd be appreciated to develop this.
%%%%code
Nx=64;
Ny=Nx;
eta2 = zeros(64,64);
% original code
load storeEtas
for igrain=1:25
ncount=0;
for i=1:64
for j=1:64
ii =(i-1)*Nx+j;
eta2(i,j) =eta2(i,j)+etas(ii,igrain)^2;
if(etas(ii,igrain) >= 0.5)
ncount=ncount+1;
end
%
ncount=ncount/(Nx*Ny);
end
end
end
figure
imagesc(eta2);
I am running the attached code. it is about the grain growth using phase field model. But unfortunately its performance in high grid point is not good enough. one the algorithm that is common for improving performance is sparse. I tried it but it looks to have some issues in matrix. I'd be thankful to have suggestion to solve this problem.
suggestion to solve this problem.
Hello all,
I am trying to study a very simple case of bubble rise ( air in water) using Phase field method in COMSOL. However, again and again I get this error " fFailed to find consistent initial values.
Last time step is not converged."
I see that there is some scaling setting that needs to be done. However, just to see of things work well, I took the exact parameters as given in example of capillary filling.
The only difference in my case is that I try to study the rise of bubble instead of capillary filling.
While the given example worked well, changing the boundary conditions and physics lead to an error mentioned above.
May some one help in this regard, please? How to deal with this issue. I looked across but not much was found.
Thanks
How do we arrive at this expression? That meu A will be equal in all phases then meu B will be equal in all phases and so on?
May someone help in understanding the difference between phase-field method and level-set method?
Thank You
I was reading through the literature on phase field methods and found two major approaches: 1) Models where a different phase field variable is used to describe each individual grain 2) Models where a single field is required to represent the orientation distribution of all grains.
It seems to me that the second method should be computationally better than the first method. This is because, for the multi-phase field method, whenever we have a new nucleus in the material, we need to introduce newer phase field variable and then solve extra equations over the whole grid (or just in the boundary regions). This would add a lot to the computational cost, especially when the orientations of the new nuclei are quite random and cannot be predicted.
Even then, multi-phase field is quite popular (I feel it is much easier to deal with nucleation in multi-phase field). Why would that be the case?
Is using 'single' phase field model for cases with random nucleation better than multi-phase field?
Hello all,
I have a very basic question regarding the presence of interface ( presence of surface tension to be precise) between liquid or gas phase with supercritical phase.
For instance, consider oxygen (Tc ~ 150 K, Pc ~ 50 bar).
Let us consider:
1. Case 1 wherein liquid oxygen (T and P > Tc, Pc, say 100 K and 45 bar) is injected into a chamber filled with gaseous oxygen ( say T = 130 K, P = 45 bar). Then if I understand well, then there will be phase change and we will have surface tension present between these phases.
2. Case 2: Oxygen above the critical point (say T = 160 K, 55 bar) injected into supercritical oxygen say T = 180 K and 55 Bar), Both are in supercritical phase. In such case there will be just diffusion ( which I understand is due to difference in concentration/density and thus self diffusion). No interface or effects of surface tension will be present.
3. Now let us take a case, say liquid oxygen is injected into supercritical oxygen.
For sake of convenience, say initial T = 120 K and P = 60 bar ( i.e above Pc but below Tc), and injected into supercrtical phase of oxygen. ( T = 180 K, P = bar).
Is this case similar to case 2 or case 1 described above.
My main concern was will there be surface tension present or will there be just diffusion.
( I am assuming here that at no local point, the T and P will fall below Tc,Pc to avoid any liquid --> gas conversion)
More precisely, will it be reasonable to consider surface tension in analytical/numerical computations?
To my understanding, we incorporate surface tension to account for increase in energy due to interfacial energy/latent heat.But here we don't have anything of this sort but as we have liquid and Supercritical state, it's slightly confusing.
How will things change when instead of liquid injection, we do same case with gas state ( say T = 190 K, P = 40 bar i.e. T> Tc , P < Pc)
Thanks
Can I use phase field to model Reinforced Concrete Beams with Abaqus program?
Hi all!
I''m currently learning about the phase-field method for modeling of fracture. I am familiar with the method itself but I don't understand some key concepts. For example, in an article by C. Miehe - "Thermodynamically consistent phase-field models of fracture: Variational principles and multi-field FE implementations" I don't understand how the functional of crack was constructed. It just says that differential equations is Euler's equation of the variational principle ...
There are also some other things that I don't understand in that article.
My question is: is there some book or an article that better describes how things like functional, crack surface density function or higher order phase field models are obtained?
Hello,
Here is the chemical mobility for a Fe-Cr binary alloy given by Darken's equation (Refer - Effect of applied strain on phase separation of Fe–28 at.% Cr alloy: 3D phase-field simulation):
M = (Ccr*Mfe + Cfe*Mcr)*Ccr*Cfe/Vm
1. How did the terms (Ccr*Cfe/Vm) arrive in this equation, since the inter-diffusion coefficient is just given by D = Ccr*Dfe + Cfe*Dcr?
2. What is the unit for mobility? For a mono-Vacancy mechanism, the diffusion coefficient is given by D=R*T*M. If the diffusion coefficient is given by m2/s , then can I just assume the corresponding mobility also has units in terms of m2?
It would be great if you provide any fundamental text books for understanding this.
Thank you.
Hello all,
May some one suggest references wherein some relation has been proposed ( and proved ) between grid size and cahn-number.
In my understanding, it is known that one should consider about 3 grid points ( minimum as proposed by Jacqmin) in the interface.
Well then as per that relation, Cn= int_thickness/L ( L being characteristic length of the domain).
Thus, we have Cn= 3*grid_size/L . But is this correct. I read somewhere ( can't remember where) that its best to have grid size varying from Cn-Cn/4.
May some one help in this regard.
Thanks
Hello,
Can anyone explain how to derive sharp interface limit relation from phase-field model ( or suggest some literature where this is explained)
It would be really helpful.
Thanks
Why entropy functional is required for modelling non-isothermal systems in phase field modelling? Why does free energy not applicable in such cases?
Thanks
Hello all,
I am trying to simulate spinoidal decomposition using phase-field method. Most of the literature I could have given equations in dimensionless form. However, I intend to solve them in dimensional form.
Can someone suggest some reference where this problem has been dealt in dimensional form.
It will be really helpful.
Thanks
Deewakar
I am working on micro structure evolution. I didn't t find any useful sources on modeling and programming the recrystallization by phase field mothod. I would be appreciate if anyone can give me some suggestions in using related source for programming the recrystallization.
Gradient damage and phase field models.
Both phase field model and molecular dynamics simulation method can be adopted to simulate the fracture propagation, what's the difference between them and what's the advantage and disadvantage of each method?
Hello all,
I have been reading about phase field modelling and I am confused regarding the term capillarity tensor T (defined as picture attached). This term has been represented as K div T in the momentum Navier Stokes equation.
I am not able to understand from where this term comes from and how does it incorporates the interface conditions within itself?
I read that Korteweg used this for first time but I was unable to get relevant paper reg. this.
It would be really helpful if some one may help in this regard.
Thank You
I am trying to solve a heating problem where a solid has a phase 'A' of value 0 at 1000C temperature (no phase 'B' exists at this temperature) and it transforms steadily to a complete phase 'B' of value 1 at 11000C temperature (no phase A at this temperature). Also heating from 100 to 1100 causes a steady change in value from 0 to 1. Can i apply phase field theory to this problem. I am confused as most of the application involves co-existence of both phases at the same time (like solid-liquid). Help would be immensely appreciated.
Brain research utilizes diverse measurement techniques which probe diverse spatial scales of neural activity. The majority of human brain research occurs at macroscopic scales, using techniques like functional magnetic resonance imaging (fMRI) and electroencephalography (EEG), while microscopic electrophysiology and imaging studies in animals probe scales down to single neurons. A major challenge in brain research is to reconcile observations at these different scales of measurement. Can we identify principles of neural network dynamics that are consistent across different observational length scales?
In recent experimental studies at different scales of observations, power-law distributed observables and other evidence suggest that the cerebral cortex operates in a dynamical regime near a critical point. Scale-invariance - a fundamental feature of critical phenomena - implies that dynamical properties of the system are independent of the scale of observation (with appropriate scaling). Thus, if the cortex operates at criticality, then we expect self-similar dynamical structure across a wide-range of spatial scales. Renormalization group is a mathematical tool that is used to study the scale invariance in equilibrium systems and recently, in dynamical systems with non-equilibrium critical steady-state. In the context of neural dynamics, renormalization group ideas suggest that the dynamical rules governing the large-scale cortical dynamics may be the same as dynamics at smaller spatial scales (with appropriate coarse graining procedures).
Hi all
I want to analyze crack initiation and propagation for a TBC system under thermal cycling and after success under thermomechanical loading, with Abaqus.
I already know Abaqus in an intermediate level, knowing also how to program.
One can do XFEM in Abaqus but as far as I know it is intended for isothermal mechanical cycling.
If you have experience, or if you know any helpful paper or thesis, please let me know.
I also heard of phase field method, which seems more powerful than XFEM. For me the method is not important but the results are.
Thank you very much.
Hello,
Why do Cahn Hilliard Equation need to satisfy non-linear stability relationship?
Why does this condition poses constraint to design stable numerical schemes for Phase-field modelling?
A noise term, eta is added to the Cahn-Hillard Equation which is as follows.
d(phi)/dt=a1 (nabla^2) (phi) -a2 (phi) -a4 (phi^3) + eta
and eta is usually defined as
<eta(x,t) eta(x',t')> = A diracdelta(x-x') diracdelta(t-t')
which suggests that the noise terms are not correlated in time and space.
However, I am confused on how to implement this in the original equation. Do we just use a random number generator?
Many thanks.
The basis for the phase field modeling is minimization of a functional presenting some thermodynamic potential (e.g., free energy), which is conserved in the system considered. Therefore, time evolution of the system described by the phase field is not the real kinetics, but just some pathway the system proceeds to the equilibrium state.
It is like using the Metropolis Monte Carlo for minimization of the energy of a system. The final state might correspond to some local or global minimum, but the way the system relaxes to it is not the real kinetics. The real kinetic pathway should be described by the kinetic Monte Carlo approach.
Therefore, the question of applicability of the phase field methods to non-equilibrium problems arises. Are these methods applicable for micro-structure evolution under irradiation?
I am aware about the large number of publications on the void and gas bubble growth under irradiation. However, I am interested in justification of this approach from the ground principles, not just "use it because the others do so".
I would enjoy discussion on the topic, many thanks for your replies.
I am wondering what the Hilbert transform pair do in order to create carrierless amplitude and phase modulation?