A Finite Volume Implementation of The Phase Field Model F 2024 Computers and
A Finite Volume Implementation of The Phase Field Model F 2024 Computers and
A R T I C L E I N F O A B S T R A C T
Keywords: The phase-field method (PFM) has advantages in modeling crack propagation in rock-like materials by treating
Phase field the crack surface as a continuous function, therefore avoiding dealing with the sharp discontinuous displacement
Finite volume method field. This study presents an implementation of PFM using the finite volume method (FVM) to discretize the
Adaptive mesh refinement
governing equations for the conservation of linear momentum and the evolution of phase field. The coupled
Brittle fracture
Iterative staggered scheme
equations are solved by an iterative staggered scheme. The adaptive mesh refinement (AMR) technique is further
employed to improve computational efficiency, which is relatively easy to achieve in FVM as the method can
naturally handle unstructured meshes with hanging nodes in both two- and three-dimensional problems, as
opposed to the finite element method (FEM). Several classical crack propagation problems, including the single-
edge notched tension and shear tests, the L-shaped panel test, and the test on a notched plate with a hole, are
simulated and compared with available experimental and FEM results, which demonstrate that the FVM-based
PFM can model crack propagation accurately and effectively and could be more efficient than the FEM-based
PFM.
1. Introduction (Xu and Needleman, 1994). Since crack propagation inside the elements
is not permitted, this method has strong mesh dependence. On the other
Modeling crack propagation in rock-like materials has attracted hand, the extended finite element method (XFEM) (Belytschko and
widespread interest but remains challenging due to the material het Black, 1999) has proven to be one of the most well-received discrete
erogeneity involving inherent defects at different scales and directions, methods so far, which introduces an enriched basis function to describe
as well as the complexity of the problem itself. Being an essentially the displacement discontinuity thus allowing the crack to propagate
discontinuous process, the crack propagation problem poses tremendous within an element and can track the crack path without remeshing.
difficulties for the traditional continuum-based numerical methods, Nevertheless, the tracking of crack surface is a formidable task, espe
especially the mesh-based methods such as the finite element method cially in 3D problems.
(FEM) that is still dominant in computational solid mechanics. In contrast to the discrete methods that explicitly simulate the strong
Presently, two conceptually different methods are mainly used in discontinuity in displacements across cracks, the continuous methods
FEM to tackle crack propagation, corresponding to the discontinuous model the crack as a diffuse zone, so that the displacement fields remain
(discrete) and the continuous (smeared) categories, respectively. The continuous, and the tracking of crack surface is no longer required. An
former describes the crack through the discontinuous displacement example of such methods is the continuum damage mechanics (CDM)
field, for example, by simply deleting the elements that satisfy the crack model (Bažant and Cedolin, 1983), which expresses the progressive
condition (Belytschko and Lin, 1987). This element deletion method damage of a material through the evolution of some internal variables
(EDM) however cannot simulate the branch of crack correctly (Liu et al., such as the damage variable. Yet the evolution law of the damage var
2014). Another option is to insert cohesive interface elements at the iable is often phenomenological and simply assumed to be a function of
element interfaces, so the crack can propagate through the interfaces the equivalent plastic strain. Therefore, it is difficult for CDM to
* Corresponding author at: Computing Center for Geotechnical Engineering, Engineering Research Center of Urban Underground Space Development of Zhejiang
Province, Department of Civil Engineering, Zhejiang University, Hangzhou 310058, China.
E-mail address: [email protected] (N. Guo).
https://doi.org/10.1016/j.compgeo.2023.105921
Received 1 October 2023; Received in revised form 4 November 2023; Accepted 7 November 2023
Available online 10 November 2023
0266-352X/© 2023 Elsevier Ltd. All rights reserved.
X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
et al., 2021) is infeasible. In the literature, the phase field (Borden et al., where Ψ is the elastic strain energy density, ε(u)= ((∇u)T + ∇u)/2 is
2012) or its gradient (Li et al., 2023a) is commonly used as the
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
the small strain tensor, Gc is the critical energy release rate of the ma calculated as:
terial, and u is the displacement. The strain energy of an isotropic linear
[ ] ∂Ψ(ε)
elastic material can be defined by the following formula: σ = (1 − d)2 + k (11)
∂ε
λ
Ψ(ε) = tr(ε)2 + με : ε (2) Existing studies have shown that the nucleation and propagation of
2 cracks are often caused by tension, whereas compression will lead to the
where λ and μ are the Lamé constants. With the phase field variable d, closure of cracks and hinder their propagation. Hence, some ten
the surface density of cracks per unit volume γ can be expressed as sion–compression decomposition schemes are developed. A comparison
(Miehe et al., 2010b): of different decomposition methods can be found in Ambati et al.
(2015). In general, they can be classified as isotropic and anisotropic
d2 l0
γ(d) = + |∇d|2 (3) decompositions. The isotropic ones (Bourdin et al., 2000; Yang, 2006)
2l0 2
are linear and therefore less computationally expensive, but they allow
where ∇d is the spatial gradient of the phase field, and l0 ∈ R+ is the cracks to grow in compression and may lead to nonphysical crack pat
characteristic length that controls the width of the diffuse crack transi terns. On the contrary, the anisotropic formulations decompose the
tion region, as shown in Fig. 1. Therefore, the regularized crack surface strain energy density into positive and negative parts, and the stress
Γl0 (d) can be represented by a scalar phase field via the following equation is reformulated as:
integral:
[ ] ∂Ψ+ (ε) ∂Ψ− (ε)
∫ σ = (1 − d)2 + k + (12)
Γl 0 (d) = γ(d)dΩ (4)
∂ε ∂ε
Ω
The commonly used decomposition methods are the spherical-
The total crack surface energy of the elastic solid can be obtained deviatoric decomposition proposed by Amor et al. (2009) and the
from Eq. (4): spectral decomposition proposed by Miehe et al. (2010a). For the
∫ ∫ ( 2 ) spherical-deviatoric decomposition, the strain energy can be expressed
d l0 as:
Gc dΓ ≈ Gc + |∇d|2 dΩ (5)
Γ Ω 2l0 2 ( )
1 2μ
Therefore, the expansion of the total potential energy can be ob Ψ+ = λ+ 〈tr(ε)〉2+ + μ(εdev : εdev ) (13a)
2 n
tained as
( 2 ) ( )
∫ ∫ 1 2μ
Π(u, d, ∇d) = g(d)Ψ(ε(u) )dΩ + Gc
d l0
+ |∇d|2 dΩ (6) Ψ− = λ+ 〈tr(ε)〉2− (13b)
2l0 2 2 n
Ω Ω
where g(d) is the stress degradation function that reduces the stored where εdev is the deviatoric part of the strain tensor. The Macaulay
energy within the solid as the phase field d evolves. Here, it is specified brackets are defined as: 〈x〉± = (x ± |x|)/2. For the spectral decompo
[ ] sition method, the strain tensor is decomposed into positive and nega
as g(d) = (1 − d)2 +k , where k is a model parameter to avoid nu tive parts:
merical singularity when d approaches unity and taken as k = 10− 6
ε = ε+ + ε− (14)
throughout the study. Its influence is proved negligible according to the
existing studies, e.g., Miehe et al. (2010a). ∑n
The external force work Wext is expressed as (body force neglected in
ε+ = p=1
〈εp 〉+ np ⊗ np (15a)
the study): ∑n
∫ ε− = p=1
〈εp 〉− np ⊗ np (15b)
Wext = t⋅udA (7) { } { }
∂Ωt where εp p=1⋯n
and np p=1⋯n are the principal strains and their
where t is the surface traction. According to Eqs. (6) and Eq. (7), the directions, respectively. Therefore, the positive and negative parts of
governing equations of the phase field model can be obtained by mini elastic energy can be expressed as:
mizing the total energy functional, i.e., letting the variation of Eq. (8) be λ [ ]
zero. Ψ+ = 〈tr(ε)〉2+ + μtr ε2+ (16a)
2
∫ ∫ ( 2 ) ∫
d l0
Π − Wext = g(d)Ψ(ε(u) )dΩ + Gc + |∇d|2 dΩ − t⋅u dA λ [ ]
Ω Ω 2l0 2 ∂Ωt Ψ− = 〈tr(ε)〉2− + μtr ε2− (16b)
2
(8)
The elastic energy can be expressed by the following formula:
As a result, the following coupled partial differential equations are
reached: Ψ = g(d)Ψ+ + Ψ− (17)
∇⋅σ = 0 in Ω (9a) Substituting Eq. (17) into Eq. (8), and taking the variation with
respect to u and d, the governing equations can be obtained:
[ ]
Gc (18a)
− Gc l0 ∇2 d + + 2Ψ(ε) d = 2Ψ(ε) in Ω (9b) ∇⋅σ = 0 in Ω
l0
[ ]
with the following boundary conditions: − Gc l0 ∇2 d +
Gc
+ 2Ψ+ d = 2Ψ+ in Ω (18b)
l0
σ ⋅n = t on ∂Ωt (10a)
where the stress σ is given by Eq. (12).
u = u on ∂Ωu (10b) It is necessary to supplement the irreversibility condition to prevent
the crack healing of the elastic solid under compression or unloading.
∇d⋅n = 0 on ∂Ω (10c) The commonly used method is to introduce a history state variable H,
which is updated according to:
where t and u are the prescribed boundary traction and displace
ment, respectively. n is the outward normal vector. The stress is
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
(1996).
By integrating Eq. (18a) over the volume of P, ΩP , and applying the
divergence theorem, it gives:
∫ ∮
∇ • σ dΩ = n⋅σ dA = 0 (21)
ΩP ∂ΩP
Given the stress term on the face σ f , the surface integral in Eq. (21)
can be approximated by:
∮ ∑
n⋅σ dA ≈ Γf ⋅σ f (22)
∂ΩP f
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
Fig. 3. Adaptive mesh refinement for (a) triangle and (b) quadrilateral cells in 2D, and (c) polyhedral cells in 3D (after Meredith and Vukčević, 2018).
[ ]
∑ ∑ ⃒ ⃒ uN − uP • For the traction boundary, specify forces on the boundary surfaces:
Γf ⋅σ f + (λ + 2μ) ⃒Δf ⃒ ⃒⃒ ⃒⃒ − Δf ⋅(∇u)f = 0
f f df (29) gb = |Γb |t (35)
⏟̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅⏞⏞̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅⏟
Rhie-Chow correction term
where Γb is the outward-pointing area vector of the boundary face, t
where is the specified traction. gb will be added to Eq. (22) in calculating the
force balance of the control volume.
df ⃒⃒ ⃒⃒2
Δf = Γf (30) After the above discretization, the discrete forms of Eqs. (18a) and
df • Γf (20) on each control volume can be cast into four (for 3D) linear alge
For the phase field equation, Eq. (20) is modified to: braic equations (one vector equation for the displacement and one scalar
( ) equation for the phase field). The equation system for the whole domain
− l20 ∇2 d +
2Hl0
+1 d =
2Hl0 can be obtained by assembling all the CVs, which presents in the
Gc Gc (31) following general form:
⏟̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅⏞⏞̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅̅⏟
implicit
[Au ][u] = [bu ] (36a)
By integrating Eq. (31) over ΩP and applying the divergence theo
[ d] [ ]
rem, it gives: A [d] = bd (36b)
∫ ( ) ∫ ∫ []
( )
2Hl0
+ 1 d dΩ + − l20 ∇d • n dA =
2Hl0
dΩ (32) where [Au ] and Ad are both assembled sparse matrices with diag
ΩP Gc ∂ΩP ΩP G c onal terms auP and adP and non-zero neighbor off-diagonal terms auN and
[ ]
The discrete equation can be obtained as: adN . [bu ] and bd are the source vectors with terms buP and bdP which cover
( )
2Hl0 ∑ 2Hl0 the contribution from the explicit terms and boundary conditions. The
+ 1 dP ΩP − l20 (∇d)f • Γf = ΩP (33) expressions of these terms are shown below:
Gc f
Gc
⃒ ⃒
⃒Δf ⃒
where (∇d)f • Γf can be approximated by: u
aN = − (2μ + λ) ⃒⃒ ⃒⃒ (37a)
df
⃒ ⃒ dN − dP
(∇d)f • Γf = ⃒Γf ⃒ ⃒⃒ ⃒⃒ (34) ∑
df auP = − auN (37b)
f
⃒ ⃒
3.2. Boundary conditions and system of equations ⃒Γf ⃒
adN = − l20 ⃒⃒ ⃒⃒ (37c)
df
The boundary conditions in FVM can be classified into three types
according to Jasak and Weller (2000): (
2Hl0
) ∑
adP = + 1 ΩP − adN (37d)
Gc
• For the displacement boundary, directly specify the displacement u on
f
the boundary face. The surface gradient can be calculated from the ∑ ∑
buP = Γf ⋅σ f − (2μ + λ)Δf ⋅(∇u)f (37d)
center values of adjacent cells, e.g., Eq. (25).
f f
• For the symmetric boundary, image the control volume on the other
side of the boundary as an adjacent control volume.
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
Fig. 4. Iterative staggered scheme of the FVM-based phase field model with adaptive mesh refinement.
2Hl0 fine meshes to capture the abrupt gradient changes, often leading to a
bdP = ΩP (37f)
Gc surge in computational cost especially when the crack path is unknown a
priori. Therefore, the adaptive mesh refinement technique (Gupta et al.,
Eq. (36) can then be assembled from each CV using the above
2022; Krishnan et al., 2022; Xu et al., 2022; Dinachandra and Alankar,
equations as:
2022; Patil et al., 2018; Assaf et al., 2022) is preferred. Compared with
∑
auP up + auN uN = buP FEM, FVM can naturally deal with polyhedral or polygonal cells with
(38a)
f hanging nodes, which means that it is more conducive to applying
∑ adaptive mesh refinement in FVM. The isotropic refinement algorithm
adP dP + adN dN = bdP (38b) proposed by Meredith and Vukčević (2018) for OpenFOAM has been
f used in this study. Generally, it first identifies the candidate cells that
It is worth noting that the model implementation is based on solid meet a certain refinement criterion (d ≥ 0.4 in the study) and then splits
s4foam (Cardiff et al., 2018), an OpenFOAM toolbox for solid me the cells into a set of sub-cells by inserting points at the centers of the
chanics. The preconditioned conjugate gradient solver is used to solve cells, the faces, and the edges. The process of point insertion will be
Eq. (36) in the study with default settings. repeated according to the maximum refinement level, and the sub-cells
will be marked so that they will not be further refined in later loading
steps. The refinement in 2D with initial triangle and quadrilateral cells
3.3. Adaptive mesh refinement and solution flow after local refinement are shown in Fig. 3(a) and (b), respectively.
Similarly, the refinement in 3D for different polyhedrons is illustrated in
When a discrete crack is modeled as a diffuse phase field, abrupt Fig. 3(c). Note that a posteriori error estimator (Walloth and Wollner,
gradient changes occur in the phase field. It is then necessary to use very
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
4. Numerical examples
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
3 3
Fig. 7. Crack pattern of the single-edge notched tension test at displacements (l0/h = 2.4): (a) u = 5.54 × 10− mm, (b) u = 5.67 × 10− mm, and (c) u = 5.92 ×
10− 3 mm.
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
3 3 3
Fig. 12. Crack pattern of the single-edge notched shear test at displacements: (a) u = 8 × 10− mm, (b) u = 10 × 10− mm, and (c) u = 11.8 × 10− mm.
Fig. 13. Force-displacement curves of the single-edge notched shear test with
different l0.
Fig. 14. Meshes used in the single-edge notched tension test: (a) fixed uniform mesh, and (b) final mesh after AMR (same as the fixed locally refined mesh).
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
Table 2 The model is initially uniformly discretized with the cell size h =
Summary of the single-edge notched tension test with or without AMR. 0.025 mm (the out-of-plane cell size is 0.02 mm), and the AMR is evoked
Mesh type Initial / final cell numbers Run time (s) Speedup during loading to accelerate the computation with the refinement level
of 2. Fig. 20 shows the meshes at different time steps. It is seen that the
AMR 16,965 / 22,308 3862 1.97
Fixed uniform mesh 16,965 / 16,965 7599 1 mesh refinement starts from around the crack tip at u = 6.016 × 10− 3
Fixed locally refined mesh 22,308 / 22,308 5790 1.50 mm and shortly develops to form a band around the full crack plane at u
= 6.205 × 10− 3 mm. The difference in mesh density afterward is
insignificant. The evolution of phase field iso-volume (d > 0.9) in Fig. 21
4.6. Three-dimensional single-edge notched tension and shear tests confirms the path of crack propagation, similar to the results in Xu et al.
(2022) and Dinachandra and Alankar (2022). The force–displacement
The last two examples demonstrate that the present FVM-based curve after normalization by thickness is found identical to that in the
phase field model can be easily extended to 3D simulations. The 2D test (i.e., Fig. 8), which is therefore not repeated here.
single-edge notched tension and shear tests are performed for this pur For the 3D shear test, the model has a thickness of 0.05 mm and the
pose. For the tension test, the 3D model has a thickness of 0.1 mm, and other parameters are the same as in the 2D test presented in section 4.2
the other parameters are the same as in the 2D test presented in section (l0 = 0.015 mm). The model is initially uniformly discretized with the
4.1 (l0 = 0.015 mm). cell size h = 0.01 mm (the out-of-plane cell size is 0.025 mm), and the
Fig. 16. L-shaped panel test: (a) geometry and boundary conditions, and (b) final mesh.
Fig. 17. Crack pattern of the L-shaped panel test at displacements: (a) u = 0.25 mm, (b) u = 0.55 mm, and (c) u = 1 mm. The experimental crack profile is
superimposed in (c).
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
Fig. 18. Notched plate with a hole: (a) geometry and boundary conditions, (b) initial mesh, and (c) final mesh.
Fig. 19. Crack pattern of the notched plate with a hole at displacements: (a) u = 0.4 mm, (b) u = 1.085 mm, (c) u = 2.145 mm, and (d) experimental crack profile
(adapted from Ambati et al., 2015).
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
3 3 3
Fig. 20. Meshes in the 3D single-edge notched tension test at displacements: (a) u = 6.016 × 10− mm, (b) u = 6.205 × 10− mm, and (c) u = 9.0 × 10− mm.
3 3
Fig. 21. Phase field iso-volume (d > 0.9) in the 3D single-edge notched tension test at displacements: (a) u = 6.016 × 10− mm, (b) u = 6.205 × 10− mm, and (c) u
= 9.0 × 10− 3 mm.
AMR is evoked during loading to accelerate the computation with the repeated here.
maximum refinement level set to 3. Fig. 22 shows the meshes at different
time steps. It is seen that the mesh refinement starts from around the 5. Conclusions
crack tip at u = 8.0 × 10− 3 mm and gradually evolves into a curved band
around the crack surface at u = 12.1 × 10− 3 mm. The evolution of phase A cell-centered FVM implementation of the phase-field model with
field iso-volume (d > 0.9) in Fig. 23 confirms the path of crack propa AMR for brittle fracture using the iterative staggered scheme is pre
gation. By examining the morphology of the local meshes around the sented in the study. Two commonly used strain energy density decom
crack tip, it can be observed that in the 3D AMR, a quadtree refinement position methods, namely, the spherical-deviatoric decomposition and
scheme is activated when a structural hexahedral mesh is used. The spectral decomposition, are considered. The proposed model has been
force–displacement curve after normalization by the thickness is found applied to simulating several classical crack propagation problems,
quite close to that in the 2D test (i.e., Fig. 13), which is therefore not including the single-edge notched tension and shear tests, L-shaped
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
3 3 3
Fig. 22. Meshes in the 3D single-edge notched shear test at displacements: (a) u = 8.0 × 10− mm, (b) u = 10.7 × 10− mm, and (c) u = 12.1 × 10− mm.
3 3
Fig. 23. Phase field iso-volume (d > 0.9) in the 3D single-edge notched shear test at displacements: (a) u = 8.0 × 10− mm, (b) u = 10.7 × 10− mm, and (c) u = 12.1
× 10− 3 mm.
panel test, and test on a notched plate with a hole. By comparing with CRediT authorship contribution statement
the results from available experiments and FEM studies, it is concluded
that the FVM-based phase-field model is a promising tool to solve these X.L. Yang: Conceptualization, Software, Data curation, Investiga
crack propagation problems and could be advantageous to the alterna tion, Writing – original draft. N. Guo: Supervision, Conceptualization,
tive FEM-based model in terms of efficiency in some case studies. The Methodology, Funding acquisition, Investigation, Writing – review &
isotropic AMR algorithm adopted in the study can effectively improve editing. Z.X. Yang: Conceptualization, Investigation, Writing – review &
the computational accuracy meantime significantly reduce the compu editing.
tational cost.
Another feature of FVM is that it has been extensively applied in Declaration of Competing Interest
solving continuity or transport equations, which means that the FVM-
based phase-field model could be conveniently coupled with fluid flow The authors declare that they have no known competing financial
to solve multiphysics problems such as hydraulic fracturing. This will be interests or personal relationships that could have appeared to influence
pursued in a future study. the work reported in this paper.
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X.L. Yang et al. Computers and Geotechnics 165 (2024) 105921
Data availability brittle, cohesive, and dynamic fracture. Comput. Methods Appl. Mech. Eng. 399,
115347.
Jasak, H., Weller, H.G., 2000. Application of the finite volume method and unstructured
Data will be made available on request. meshes to linear elasticity. Int. J. Numer. Meth. Eng. 48, 267–287.
Jasak, H. (1996). Error analysis and estimation for the finite volume method with
Acknowledgments applications to fluid flows. PhD thesis, Imperial College London, London.
Kiran, R., Nguyen-Thanh, N., Zhou, K., 2022. Adaptive isogeometric analysis-based
phase-field modeling of brittle electromechanical fracture in piezoceramics. Eng.
The study has been financially supported by the Key R&D Program of Fract. Mech. 274, 108738.
Zhejiang Province (No. 2022C03180), Fundamental Research Funds for Kiran, R., Nguyen-Thanh, N., Yu, H., Zhou, K., 2023. Adaptive isogeometric analysis-
based phase-field modeling of interfacial fracture in piezoelectric composites. Eng.
the Central Universities (No. 2021FZZX001-14), and ZJU-ZCCC Institute Fract. Mech. 288, 109181.
of Collaborative Innovation (No. ZDJG2021001). Krishnan, U.M., Gupta, A., Chowdhury, R., 2022. Adaptive phase-field modeling of
brittle fracture using a robust combination of error-estimator and markers. Eng.
Fract. Mech. 274, 108758.
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