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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.
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In multiphase flow modeling, where you're simulating interactions between different phases (like liquid and gas), you need a way to track or represent the interface—the boundary between the phases. There are two main approaches: interface tracking and interface capturing.
1. Interface Tracking Methods
What it means: Interface tracking methods focus on directly following the interface between the phases. Think of it like trying to keep track of the edge of a soap bubble as it moves and changes shape over time. In this approach, the interface is treated as a well-defined line or boundary that you actively track during the simulation.
These methods use markers or particles that follow the interface. For example, in a "marker-and-cell" method, you'd use special particles to mark the location of the interface and track them as they move with the flow of the fluid.
- Pros: The interface is well-defined and sharp, so you get very precise information about where the two phases meet.
- Cons: It can get computationally expensive, especially when the interface undergoes complex changes (like merging, splitting, or highly irregular shapes). Special treatment is often required for such changes.
2. Interface Capturing Methods
- What it means: In interface capturing you're not directly tracking the interface. Instead, you use a smooth, continuous field that changes across the interface, and this field captures the boundary between phases. The interface is implicitly defined by where the field changes value.
For example, you might use a "phase indicator" field that smoothly transitions from one phase to another. The interface is located where this field crosses a certain value, like zero. The field doesn’t have to directly follow the interface, but it still captures its position.
In the Level Set method, a function called a signed distance function is used, and the intrface is defined where this function equals zero. In the Phase Field method, an order parameter smoothly changes across the interface, and the interface exists where this change happens.
- Pros: These methods can easily handle situations where the interface changes shape, splits, or merges, which can be tricky for tracking methods. They are typically easier to implement for more complex flows.
- Cons: The interface might not stay as sharp as in tracking methods. Instead, it may become "diffuse," meaning the boundary is less clearly defined. Some extra steps are usually needed to keep the interface accurate.
Where do methods like Phase Field and Level Set fit in?
- Phase Field Method: This is an interface capturing method. It uses a continuous field (called the order parameter) to represent different phases, and the interface is where this field transitions between them. The boundary is not tracked directly, but instead captured by the way the field behaves.
- Level Set Method: This is also an interface capturing method. It uses a signed distance function to describe the position of the interface. The interface is implicitly defined as the point where the function equals zero, and the function evolves over time to capture changes in the interface.
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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.
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all of them gives very good results and I'm focusing on XFEM in abaqus software which gives very accurate results specially for complex geometries. I have already explain it in this 3-hour course here
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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
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Simulate Three-Phase Flow with a New Phase Field Interface
📷
by Ed Fontes
December 16, 2015
In COMSOL Multiphysics version 5.2, the CFD and Microfluidics modules include a new fluid flow interface for modeling separated three-phase flow. The model behind this fluid flow interface accounts for surface tension between each pair of fluids, contact angles with the walls, as well as the density and viscosity of each of the fluids. The phase field method computes the shape of the interfaces between the three phases and also accounts for interactions with walls.
Modeling Separated Multiphase Flow
COMSOL Multiphysics has offered modeling and simulation capabilities for multiphase flow for many years. However, the equation-based formulation of three-phase flow problems has been used successfully by only a few experts in our user community, as seen in the figure below. In the last two or three years, we have received numerous requests for a more user-friendly, ready-made three-phase flow interface. In COMSOL Multiphysics version 5.2, we have satisfied these requests.
📷 Simulation results of a rotating drum with three-phase flow, performed by a COMSOL Multiphysics user with equation-based modeling.
The description used in this new flow interface, the Three-Phase Flow, Phase Field interface, is a separated multiphase flow model. This interface is similar to the level set and phase field models for the two-phase flow interfaces included in earlier versions of the software. This means that the interface between the three immiscible phases (air, oil, and water, for example) is resolved in detail, including the effects of surface tension and contact angles.
Separated multiphase flow models are used for studying microfluidic systems and for fundamental studies of bubble coalescence and droplet breakup mechanisms. These are processes and phenomena where surface tension, contact angles, and buoyancy effects play a significant role on the shape of the phase boundaries between the different fluids and on the velocity field. Microfluidic devices and processes are typically found in analytical chemistry, biotechnology, medical technology, and nanotechnology. They include inkjets, sensors, separation devices, lab-on-a-chip devices, and microreactors.
High-fidelity separated multiphase flow models are usually too computationally expensive for direct use in macroscopic descriptions, since that may require resolving the surface of thousands or millions of droplets and bubbles. However, the results of detailed fundamental studies on a few bubbles and droplets can be used to develop simplified, less computationally expensive models. These simplified descriptions can usually be included in macroscopic dispersed multiphase flow models, which can describe systems with millions of bubbles and droplets. Macroscopic dispersed multiphase flow models are interesting in the study and design of devices and processes in the pharmaceutical, food, chemical, and household product industries.
The tutorial included in the Application Library, shown in the image below, deals with a droplet of air that rises through a layer of water at the bottom of a container and then into a layer of oil, lighter than water, resting on the water’s surface. As the air bubble moves through the water-oil interface, it carries some water in its wake and into the layer of oil. The water entrained in the bubble’s wake forms a “water tail” behind the bubble in the oil layer. This example is a benchmark from scientific literature, which we used to verify the equations in this fluid flow interface.
📷 An air bubble penetrates the phase boundary between water and oil and entrains a small amount of water in its wake. The entrained water droplet forms a tail behind the rising bubble.
This problem is interesting in a microfluidic system, since this mechanism can be used to transport small droplets of water into a layer of oil. The water droplets can, for example, be used to extract water soluble species from the oil into the water droplets, while keeping the hydrophobic species in the oil, to perform separation in a very controlled way. If the size of the water droplets is small enough, coalescence of the droplets in the oil phase may be avoided, thus creating droplets with a specific content and weight.
The same model can also be used to calculate the size distribution and coalescence kinetics, which can in turn be used in a dispersed multiphase flow model of an air-water-oil mixture. Emulsions can be used to create powders and structured mixtures.
The Physics and Model Behind the Three-Phase Flow, Phase Field Interface
The schematic below shows the three immiscible phases. The model is based on a free energy formulation of the system using three different phase field variables, with one for each phase (A, B, and C). The phase boundary is determined by the isosurface of a phase field variable for the value of 0.5, which corresponds to the pink and gray isosurfaces in the image above. The sum of all phase field variables in each point in space has to be equal to 1. The phase field variables are thus measures of the content of each phase in every point in space.
📷 A schematic drawing of the three-phase system, visualized in a projection plane perpendicular to the container walls.
The free energy equation is a function of the phase field variables and the surface tension for each pair of possible boundary interfaces, i.e., AB, AC, and BC. Each of the phase field functions is then used in the conservation equations for each field, which include the minimization of the free energy of the system. The formulated equations are the so-called Cahn-Hilliard equations.
Note also that this formulation accurately treats the triple point between the three phases, which is the point between the blue, pink, and white colored regions for phases A, B, and C shown above. This allows for the simulation of partial and absolute wetting between the three phases.
The interaction with the walls is determined by the contact angles in figure 2, θi, which are set to fixed values. The contact angles are used to express the boundary conditions for each of the phase field variables at the walls. Each angle is computed as the angle between an isosurface of the phase field variable at the value of 0.5, using the projection on a plane perpendicular to the walls, as shown above.
The surface tension forces in the system are also introduced in the equations for the conservation of momentum (Navier-Stokes equations) as sources of momentum. The density and viscosity, at each point in space in the equations for conservation of momentum and mass, are computed from the phase field variables, switching from the values of one fluid to another. Each phase gets the density and viscosity of the pure phase, which smoothly but rapidly changes across the phase boundary at the phase field value of 0.5.
The formulation described above is the one used in the phase field method, which is considered one of the most accurate ways of describing multiphase flow in continuum models.
An Intuitive User Interface
The user interface in the Three-Phase Flow, Phase Field interface in the CFD and Microfluidics modules is a so-called multiphysics interface. This means that, as a user, you have control of both the Cahn-Hilliard equations for the phase fields and the fluid flow equations. Although the settings are available in predefined formulations, an experienced user may also easily extend the equations to include other phenomena; for example, electric fields for studying electrocoalescence.
The image below shows the physics interfaces to the left, in the model tree, which are defined by the Three-Phase Flow, Phase Field interface. The included physics interfaces are the Laminar Flow and Ternary Phase Field interfaces. In addition, the Multiphysics node couples these two physics interfaces in its child node, the Three Phase Flow, Phase Field coupling node.
In the Ternary Phase Field interface, the Mixture node settings contain the input fields for surface tension, as shown below. In addition, the convection term is displayed, showing that the velocity field is obtained from the coupling formulated in the Three Phase Flow, Phase Field coupling node.
📷 The Mixture node contains the settings for the Cahn-Hilliard equations, which are the surface tension for the mixture and the coupling velocity field. The Equation section shows the domain equations.
The interaction with the container wall is defined by the settings for the Wetted Wall node, shown in the image below. Here, we find the input fields for the contact angles and a description of the notations used for these angles.
📷 Settings for the Wetted Wall boundary condition, which sets the contact angles for the different phase boundaries with the walls of the container.
The settings for the Three Phase Flow, Phase Field coupling node are shown below. Here, we can see that the coupled physics interfaces are the Laminar Flow and Ternary Phase Field interfaces. For an advanced user, the coupling node gives the possibility to couple the Ternary Phase Field interface to different fluid flow interfaces, which may be defined in different ways or in different domains.
📷 The settings for the Three Phase Flow, Phase Field coupling node.
Possible Future Extensions to the Functionality
The first version of the Three-Phase Flow, Phase Field interface is formulated for laminar flow problems. A natural extension is to also formulate this model for turbulent flow. We are planning to offer this capability in a future release of COMSOL Multiphysics. Another natural addition is to include solid particles in the flow. This can, in fact, already be done using the Particle Tracing for Fluid Flow interface. We also plan to provide related Application Library examples in future software versions.
Further Reading
  • Learn about the verification model used in the development of this multiphase flow interface:F. Boyer, C. Lapuerta, S. Minjeaud, B. Piar, and M. Quintard, “Cahn-Hilliard/Navier-Stokes Model for the Simulation of Three-Phase Flows”, Transport in Porous Media, 2010, Vol 28, pp 463-483.
  • Try simulating multiphase flow on your own with these microfluidic application examples on the COMSOL Blog:Focusing on an Electrowetting Lens The Marangoni Effect Droplet Formation Simulating Analog-to-Digital Microdroplet Dispensers for LOCs Modeling an Accurate Drug Delivery Device Modeling an Inkjet
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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
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Yes! Thanks!
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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
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Hi Joseph!
No, not actually. i want to simulate a channel with 3 inlet (They are all liquid). i triied to use Two phase levelset ... but i could not. as in the level set it asks me like ꬾ = 1 or 0 for Fluid 1 and Fluid 2. But there is not any for fluid 3. I dont know how to introduce fluid 3. Can you help me with this please, its many days that i could not solve it .. :( Joseph Ackermann
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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 :)
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Okay, thank you:)
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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.
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I tried MATLAB, COMSOL and writing my own script, in my opinion, if develop toward theory side, that is when computing power is less required, i recommend MATLAB, if going application side, I recommend building your own script, phase-field simulation is very computing demanding, COMSOL apply FEM to solve the equation, this limits the available grid points hence the simulation domain size.
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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!!
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Nothing referring to experiment has been scheduled. There is no such device or condition. What's more, which method to use in effect depends on whether other have researched and published. As a graduate I'm not powerful enough to independently apply some method on my project, what I can do is take a page from other papers.
Also my tutor is not major in this scholarly orientation and even, I guess, a paper related to it has not been read, because he is not clear what I'm talking about while group meeting. The phase field method is the priority just on account of the former project which I used phase field to establish.
He is afraid of adventure, a new method means a vague future. But I have read a lot of paper, all the paper simulate bubble/water kinetics referring to concentration variation use the VOF method. Here is my doubt, no one paper using method field not means this method is unfeasible, probably I haven't find it. Consequently, I ask for help here to some expert.
We are not in the same environment, not in the same condition, something may be incredible for you but normal for me.
Anyway thank you for replying my post, but I hope a judge based on academic theory.
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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
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You may look into the Eq. 23 of the paper authored by Abinandanan and Haider (Philos Mag A 81 (2001) 2457) for an extended Cahn-Hilliard model, if you are still looking for an answer. From your query it seems the model you are dealing with is an Allen-Cahn type phase field model. In such a case, if you do not have any higher order terms, then by simply ignoring the third term in Eq. 23, you should be able calculate the total free energy of the system.
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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?
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Hello,
There is a stability function in Thermo-Calc that gives the second derivative of G. It is called QF(phase) defined as the determinant of -(d2G/dx2).
I hope this can help.
Regards
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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.
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Q: How long simulation time is sufficient for phase field modeling using COMSOL?
ANS: I used Fortran language and use the other one to represent the graphic.
That was for long time ago. I think the time is near.
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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
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We have tried AMR for multiphase flow with phase-field in the past. Usually, refinement is dependent on the phase-field parameter and you can control the number of refinements in a given time scale of simulations. You can refer to the following articles for more information on the implementation of AMR in the Comsol phase field.
1) Yue, P., Zhou, C., Feng, J. J., Ollivier-Gooch, C. F. and Hu, H. H., "Phase-field simulations of interfacial dynamics in viscoelastic fluids using finite elements with adaptive meshing," Journal of Computational Physics, 2006, v. 219, n. 1, pp. 47-67.
2) Zhou, C., Yue, P., Feng, J. J., Ollivier-Gooch, C. F. and Hu, H. H., "3D phase-field simulations of interfacial dynamics in Newtonian and viscoelastic fluids," Journal of Computational Physics, 2010, v. 229, n. 2, pp. 498-511.
3) Yue, P., Feng, J. J., Liu, C. and Shen, J., "A diffuse-interface method for simulating two-phase flows of complex fluids," Journal of Fluid Mechanics, 2004, v. 515, pp. 293-317.
4) Yue, P., Zhou, C. and Feng, J. J., "Spontaneous shrinkage of drops and mass conservation in phase-field simulations," Journal of Computational Physics, 2007, v. 223, n. 1, pp. 1-9.
5) Yue, P., Zhou, C. and Feng, J. J., "Sharp-interface limit of the Cahn–Hilliard model for moving contact lines," Journal of Fluid Mechanics, 2010, v. 645, pp. 279-294.
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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 :)
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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.
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Aynur Atalay Try setting chi higher, e.g. more than 10.
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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!
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Nikolas Provatas' book on phase field methods is a good starting point:
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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
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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
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H, Fan Peng, Were you able to solve the divergence and mesh distortion problem in ABAQUS?
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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!
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Hi,
here comes a recent preprint of mine, where phase-field helped (at least me) to understand and perhaps even further develop concepts of analytical philosophy.
The article is named "A Phase-Field perspective on Mereotopology" and it is available here:
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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!
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Dear Viswanathan Ramamoorthy, considering the sum constraint, that you also show in the image, the gradient energies in the ternary alloy are not independent, i.e., this can be just written such for A, B and C but only two of these three gradient terms are independent. If you check the corresponding evolution equations for concentration fields, this must become clear: dC_A/dt + dC_B/dt + dC_C/dt = 0.
The source of gradient energies is the spatially asymmetric interactions between the atoms/solutes in a given gradient. If you like to understand the true physical origin of it, I suggest you look into these derivations
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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?
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Dear Vishesh,
As the phase-field method developed very gradually, each part of it was improved in some steps. First, the so-called gradient-term was recognized to be important (van der Waals, Hillert, Cahn &Hilliard, Langer, etc.), then temperature (for studying solidification), concentration field (for alloys), and elasticity were gradually included and also some other energy densities like dislocation/plasticity, electromagnetic etc. Each with some varieties and each through important contributions indeed! There are a couple of key review papers like these two
that can help. And I suggest you read the depth of it in early works of those names mentioned above. In one recent work I tried a derivation from scratch that might interest you: .
The fact is that phase-field type descriptions are still developing and very likely will be that way for a while: This is both a blessing and curse ---a blessing because it's capable of addressing complex, emerging cases, and a curse because its descriptions and implementations must update over and over.
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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?
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Luigi Candido Thank you for your answer. I have never used Simulink. I will have a look.
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(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
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You can find it in coefficient form PDE module. Please note that, you should define the units of your parameters.
You can, also, use the pdf form manuals which provided by software.
Regards,
Farhad
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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
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I suggest you that take a look at following link.
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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.
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Dear Dr. Chenxi Wang, there exists a formulation of the ferroelectric phase-field model which considers the piezoelectric effect. You may be interested in the work of Schrade et al. (see https://doi.org/10.1007/s00419-013-0754-5 and references therein). They consider a coupling between the strain and the electric field in the free energy of the material.
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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?
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I cannot comment about the applicability of these methods to.simulate the solidification of aluminum castings. However, I would.like to caution you that pores are extrinsic defects, caused by entrainment damage. Without any entrainment damage, pores, whether shrinkage or hydrogen, cannot nucleate even heterogenously. Therefore the entrainment damage needs to be known for simulation. This is extremely complex and damages are additives, i.e., ingots come usually with extreme levels of damage and there is more damage in the production system as well. Therefore it is quite a challenge to simulate pore formation, except in badly damaged castings, where you can assume that pores will form when a certain level of hydrogen or negative pressure level is reached.
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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.
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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
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Dear Nils, I do not know if this helps.. I am trying to organize a special issue of the open journal ( Metals) . Originally the idea was on ( elementary) Calphad tools for solidification.. Now I am moving to the idea of using the special issue as a container for something in between remote learning and remote collaboration for students ( of any age!) that will not have the possibility to cross easily borders - like most of them have been doing in last years. Something in between a summer school and an internship in a foreign institution/ firm. If you or your collaborators would have the time, we could publish your work there also using the remote learning as tool to refine the usability of the model. Kindly let me know if you are of the idea, thanks FM
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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.
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Jiří Kroc many thanks.
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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
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Amir Reza Ansari Dezfoli Very grateful.
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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);
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I dont know what about? but it is just a suggestion make mean the mid point of color map
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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.
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I cannot open the attached file. Can you explain in simple mathematical terms the problem you are solving, and the method you have chosen, until the point where you would like advice.
Then I may be able to help. I have used algebraic properties of systems for reduced complexity, and sparse data are one case...
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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
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Hi, I was able to to it. Thanks for your reply. It was really helpful.
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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?
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The chemical potential of a given species represents the potential or the force that ensures the transfer or movement of that species between two phases. The transfer stops when this potential becomes the same in both phases. This potential depends on the temperature, pressure and composition of the species in the phase considered. The potential of the species is the same in both phases does not imply that the composition of the species is the same in both phases.
To better understand this phenomenon, it must be compared to heat transfer. Indeed, temperature is the heat transfer potential. When two bodies are brought into contact, heat will be transferred from the hot body to the cold body and heat balance will be obtained when the temperatures of the two bodies become equal.
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May someone help in understanding the difference between phase-field method and level-set method?
Thank You
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- level set method:
+ two phases
+ computationally less expensive (one transport equation)
+ recommended for larger scale simulations where the interface is not well resolved by the mesh and where the mean position of the interface is sought rather than the fine details.
- phase field method:
+ can solve for up to three phases.
+ allows for fluid-structure interaction and phase separation models.
+ includes more physics and it is more accurate as long as the interface is properly resolved by the mesh.
+ computationally more expensive (two additional transport equations)
+ recommended for microfluidic simulations where the surface shape is of primary importance.
applications on comsol:
- level set method: capillary filling
- phase field method: Two-Phase Flow with Fluid-Structure Interaction
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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?
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Its up to the problem you want to solve. In any case, selecting a method with less computational cost but high accuracy is preferred.
But you have to note that in some cases, we have to select multi-phase filed model. Consider a solid phase formation (melt to solid or solid to new solid phase), in this case each nucleation (new solid grain/phase) can have different physical properties. Then WE HAVE to use multi-phase filed model.
Let me give you more specific example;
Assume we have silicon melt and then we want to simulate solidification. During the solidification, each new nucleated grain has different crystallographic orientation and then has different grain growth rate as a function of under cooling temperature. Then during the solidification (phase field modelling) they shows different behavior. Thus we have to use multi phase field model with different physical coefficient in the free energy at phase field model.
Regards,
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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
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Hi Diwakar,
I think you already know the answer and just asked to confirm.
Your explanation is very clear.
Regarding third case,injectant fluid- liquid( 120 K, 60 bar) i.e, Tr=0.8 & Pr=1.2 and supercritical chamber ( T = 180 K, P = 55bar)Tr=1.2&Pc1.1,
Since both the injectant and chamber pressure are supercritical, depends on the temperature at the interface region, the surface tension come into play.
For example, if region with Tr < 1 surface tension,and Tr >1no surface tenison.
Hope works of Arnab et al (refer attachment) would be helpful
Regards,
Senthil
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Can I use phase field to model Reinforced Concrete Beams with Abaqus program?
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thanks so much
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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?
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Santos H.A.F.A., Silberschmidt V.V. (2015) Finite Element Modelling of 2D Brittle Fracture: The Phase-Field Approach. In: Silberschmidt V., Matveenko V. (eds) Mechanics of Advanced Materials. Engineering Materials. Springer, Cham
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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.
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The connection between diffusivity and mobility M=D/kT is known as The Einstein- Nern
st equation in the absence of the chemical factor, which may be easily derived from the drift-diffusion equation in the presence of the additional driving force, which is a gradient of the applied external field at the steady state considerations,only!!!.
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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
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Thanks a lot for your kind references.
Deewakar
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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
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The classical paper on the subject is a paper in PRA by Gunduz Caginalp.
I do not know the name, but it is easy to find... oh found it
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Why entropy functional is required for modelling non-isothermal systems in phase field modelling? Why does free energy not applicable in such cases?
Thanks
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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
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You can take dimensional data as data using natural units https://en.wikipedia.org/wiki/Natural_units
Then dimensionless number are all physically unit data
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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.
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Hi Amir,
Since your question is mainly about modeling and programming resources, I strongly recommend to use OpenPhase: http://www.openphase.de/ which is an open source software for Serval phase field models. I guess it will help at the beginning with your initiation in phase field modeling and its implementation.
Good luck.
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Gradient damage and phase field models.
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The question is fundamentally superficial. For some researchers it's just a different terminology for the same thing. For the others the differences are not the name but the derivation of their theories (thermodynamic approach, variational approach), constitutive laws (I mean for someone who understands, the local damage dissipation function w(alpha)), numerical treatment (how to numerically implement irreversibility for instance), etc...
If you are interested you may read the first section of my thesis:
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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?
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Well they do work at different scales. You use phase field to model the response of a system at the macro or micro scale similarly to continuum mechanics (micron up to cm scale or even m scale).
While MD is discrete mechanics modeling individual atoms etc. So you are down to Angstrom or nanoscale.
Usually you calculate material properties with MD and feed them into your macroscopic phase field model.
MD is computationally demanding while phase field is over simplified technique.
It isn't right to compare which one is better; as they are complementary to each other. You could use both of them in order to develop a more microstructure-informed model.
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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
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A) First part of the answer
When the Navier-Stokes/Cahn-Hilliard model is used, the Korteweg tensor is often expressed in its equivalent potential form -C grad(mu) in Navier-Stokes equation where C is the composition and mu the chemical potential. You can see the following reference p 153 (relationship 2.9)
In equation (2.10) both terms of the Korteweg tensor appear.
To prove the equivalence, it is easier to consider the notations with the Einstein summation convention and the kronecker symbol. To guide you to prove it, you can see few details in the book http://eu.wiley.com/WileyCDA/WileyTitle/productCd-1118971337.html
calculus (9.10) p 294.
B) Second part of the answer
A quick proof of the Korteweg tensor is derived p 143-144 in
C) Last part of the answer
Another method is possible in order to derive the Korteweg tensor.
The demonstration starts from the differential of internal energy du with an important additional term : dot product of d(grad rho) and its conjugate vector (chosen K.(grad rho)) where K=Kappa is the capillary coefficient.
Next, use the conservation equations du/dt, ds/dt and du/dt (where s is the entropy) and manipulate the term K.grad(rho).d(grad rho)/dt. Finally express the entropy source and you will derive the relationships of the stress tensor T and the heat flux q with the term K.grad(rho). For T, the result is the Korteweg tensor.
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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.
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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).
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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.
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Using classical XFEM for fracture mechanics (i.e. existing crack propagation) is perfectly usable in thermo-elasticity: both displacement and temperature fields are then enriched and mechanical strain energy used in the computation of the J-integral must be updated accordingly. You can find all this in the following reference:
Duflot, Marc. "The extended finite element method in thermoelastic fracture mechanics." International Journal for Numerical Methods in Engineering 74.5 (2008): 827-847.
As mentioned by Yiming, a damage model has to be considered to deal with crack initiation. Several regularization techniques have been proposed over the years and methods as phase-field and Thick Level Set can deal with the transition from damage to fracture.
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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?
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@Deewakar  I change it by the exact doc that I want upload. Good luck.
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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.
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Many thanks. I'll have a look at the references.
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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.
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Both the second and the first order phase transitions are defined and treated in the framework of thermodynamics. The major difference between the two types of transitions is the existence of the thermodynamic barrier (>> kT) in the case of first order transitions. Sufficiently large stochastic fluctuations are required for such transitions to occur. Stochastic fluctuations can be also treated thermodynamically through the fluctuation-dissipation theorem. Thermodynamic description of the first order transitions is applicable  for the cases of both the sharp and diffuse interfaces between the ambient phase and a new phase nucleus. For example, in the theory of crystallization the diffuse interface approach is more accurate than the sharp interface approximation, which is valid only when the interface thickness is negligible compared with the nucleus size. Under irradiation conditions, two kinds of "forces" are continuously competing with each other. The first one is the external irradiation, which drives the system away from the equilibrium. The second is the internal thermodynamic force moving the system towards the equilibrium. This force can be described thermodynamically through, for example, the chemical potential. In this description both the diffuse and the sharp interface methodologies can be employed. The major problem with the phase-field in the present state is the correct formulation of the thermodynamic "force" through the corresponding thermodynamic potential.
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I am wondering what the Hilbert transform pair do in order to create carrierless amplitude and phase modulation?
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I will try to answer this question in a very non-scientific manner.
Imagine a spiral whisk (see enclosed picture). If you keep the spiral part perpendicularly to your eyes and you look through, ignoring the 3D aspect of the object, you will see a modulated sine signal (a 2D projection), lets call it x(t).
The Hilbert transform shifts the 2D projected signal x(t) by 90 degrees in phase to create a signal y(t) = hilbert[x(t)] so that if you combine the original front projection x(t) and its Hilbert transform y(t) you got something we call the analytic signal z(t) = x(t) + j y(t). The analytical signal is, in our case, exactly the spiral whisk.
In terms of mathematics, the front projection of the whisk x(t) is the real part, the top projection y(t) would be the imaginary part, and the whole 3D spiral whisk is the analytic signal z(t), so z(t) = x(t) + j y(t).
Now, obviously, when you take the analytic signal (the spiral whisk), it is easy to extract the envelope part (the absolute value) and the carrier (phase, that can be modulated).