Articles de revista
http://hdl.handle.net/2117/6145
2017-12-11T13:38:30ZA non-intrusive proper generalized decomposition scheme with application in biomechanics
http://hdl.handle.net/2117/111374
A non-intrusive proper generalized decomposition scheme with application in biomechanics
Zou, Xi; Conti, Michele; Díez, Pedro; Auricchio, Ferdinando
Proper generalized decomposition (PGD) is often used for multiquery and fast-response simulations. It is a powerful tool alleviating the curse of dimensionality affecting multiparametric partial differential equations. Most implementations of PGD are intrusive extensions based on in-house developed FE solvers. In this work, we propose a nonintrusive PGD scheme using off-the-shelf FE codes (such as certified commercial software) as an external solver. The scheme is implemented and monitored by in-house flow-control codes. A typical implementation is provided with downloadable codes. Moreover, a novel parametric separation strategy for the PGD resolution is presented. The parametric space is split into two- or three-dimensional subspaces, to allow PGD technique solving problems with constrained parametric spaces, achieving higher convergence ratio. Numerical examples are provided. In particular, a practical example in biomechanics is included, with potential application to patient-specific simulation.
This is the peer reviewed version of the following article: Zou, X., Conti, M., Diez, P., Auricchio, F. A non-intrusive proper generalized decomposition scheme with application in biomechanics. "International journal for numerical methods in engineering", 7 Setembre 2017., which has been published in final form at http://dx.doi.org/10.1002/nme.5610. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
2017-11-30T12:27:31ZZou, XiConti, MicheleDíez, PedroAuricchio, FerdinandoProper generalized decomposition (PGD) is often used for multiquery and fast-response simulations. It is a powerful tool alleviating the curse of dimensionality affecting multiparametric partial differential equations. Most implementations of PGD are intrusive extensions based on in-house developed FE solvers. In this work, we propose a nonintrusive PGD scheme using off-the-shelf FE codes (such as certified commercial software) as an external solver. The scheme is implemented and monitored by in-house flow-control codes. A typical implementation is provided with downloadable codes. Moreover, a novel parametric separation strategy for the PGD resolution is presented. The parametric space is split into two- or three-dimensional subspaces, to allow PGD technique solving problems with constrained parametric spaces, achieving higher convergence ratio. Numerical examples are provided. In particular, a practical example in biomechanics is included, with potential application to patient-specific simulation.Generalized parametric solutions in Stokes flow
http://hdl.handle.net/2117/111372
Generalized parametric solutions in Stokes flow
Díez, Pedro; Zlotnik, Sergio; Huerta, Antonio
Design optimization and uncertainty quantification, among other applications of industrial interest, require fast or multiple queries of some parametric model. The Proper Generalized Decomposition (PGD) provides a separable solution, a computational vademecum explicitly dependent on the parameters, efficiently computed with a greedy algorithm combined with an alternated directions scheme and compactly stored. This strategy has been successfully employed in many problems in computational mechanics. The application to problems with saddle point structure raises some difficulties requiring further attention. This article proposes a PGD formulation of the Stokes problem. Various possibilities of the separated forms of the PGD solutions are discussed and analyzed, selecting the more viable option. The efficacy of the proposed methodology is demonstrated in numerical examples for both Stokes and Brinkman models.
The final publication is available at Springer via https://doi.org/10.1016/j.cma.2017.07.016
2017-11-30T11:59:32ZDíez, PedroZlotnik, SergioHuerta, AntonioDesign optimization and uncertainty quantification, among other applications of industrial interest, require fast or multiple queries of some parametric model. The Proper Generalized Decomposition (PGD) provides a separable solution, a computational vademecum explicitly dependent on the parameters, efficiently computed with a greedy algorithm combined with an alternated directions scheme and compactly stored. This strategy has been successfully employed in many problems in computational mechanics. The application to problems with saddle point structure raises some difficulties requiring further attention. This article proposes a PGD formulation of the Stokes problem. Various possibilities of the separated forms of the PGD solutions are discussed and analyzed, selecting the more viable option. The efficacy of the proposed methodology is demonstrated in numerical examples for both Stokes and Brinkman models.Numerical modelling of multi-phase multi-component reactive transport in the Earth's interior
http://hdl.handle.net/2117/111365
Numerical modelling of multi-phase multi-component reactive transport in the Earth's interior
Oliveira, Beñat; Afonso, Juan Carlos; Zlotnik, Sergio; Díez, Pedro
We present a conceptual and numerical approach to model processes in the Earth's interior that involve multiple phases that simultaneously interact thermally, mechanically and chemically. The approach is truly multiphase in the sense that each dynamic phase is explicitly modelled with an individual set of mass, momentum, energy and chemical mass balance equations coupled via interfacial interaction terms. It is also truly multi-component in the sense that the compositions of the system and its constituent thermodynamic phases are expressed by a full set of fundamental chemical components (e.g. SiO$_2$, Al$_2$O$_3$, MgO, etc) rather than proxies. In contrast to previous approaches these chemical components evolve, react with, and partition into, different phases with different physical properties according to an internally-consistent thermodynamic model. This enables a thermodynamically-consistent coupling of the governing set of balance equations. Interfacial processes such as surface tensions and/or surface energy contributions to the dynamics and energetics of the system are also taken into account. The model presented here describes the evolution of systems governed by Multi-Phase Multi-Component Reactive Transport (MPMCRT) based on Ensemble Averaging and Classical Irreversible Thermodynamics principles. This novel approach provides a flexible platform to study the dynamics and non-linear feedbacks occurring within various natural systems at different scales. This notably includes major-and trace-element transport, diffusion-controlled trace-element re-equilibration or rheological changes associated with melt generation and migration in the Earth's mantle.
This is a pre-copyedited, author-produced PDF of an article accepted for publication in
Geophysical journal international following peer review. The version of record Oliveira, B.,
Afonso, J., Zlotnik, S., Diez, P. Numerical modelling of multi-phase multi-component reactive transport in the Earth's interior. "Geophysical journal international", 1 Gener 2018, vol. 212, núm. 1, p. 345-388 is available online at: https://doi.org/10.1093/gji/ggx399.
2017-11-30T11:12:12ZOliveira, BeñatAfonso, Juan CarlosZlotnik, SergioDíez, PedroWe present a conceptual and numerical approach to model processes in the Earth's interior that involve multiple phases that simultaneously interact thermally, mechanically and chemically. The approach is truly multiphase in the sense that each dynamic phase is explicitly modelled with an individual set of mass, momentum, energy and chemical mass balance equations coupled via interfacial interaction terms. It is also truly multi-component in the sense that the compositions of the system and its constituent thermodynamic phases are expressed by a full set of fundamental chemical components (e.g. SiO$_2$, Al$_2$O$_3$, MgO, etc) rather than proxies. In contrast to previous approaches these chemical components evolve, react with, and partition into, different phases with different physical properties according to an internally-consistent thermodynamic model. This enables a thermodynamically-consistent coupling of the governing set of balance equations. Interfacial processes such as surface tensions and/or surface energy contributions to the dynamics and energetics of the system are also taken into account. The model presented here describes the evolution of systems governed by Multi-Phase Multi-Component Reactive Transport (MPMCRT) based on Ensemble Averaging and Classical Irreversible Thermodynamics principles. This novel approach provides a flexible platform to study the dynamics and non-linear feedbacks occurring within various natural systems at different scales. This notably includes major-and trace-element transport, diffusion-controlled trace-element re-equilibration or rheological changes associated with melt generation and migration in the Earth's mantle.AAR-based decomposition method for lower bound limit analysis
http://hdl.handle.net/2117/108908
AAR-based decomposition method for lower bound limit analysis
Muñoz Romero, José; Rabiei, Nima
Despite the recent progress in optimisation techniques, finite-element stability analysis of realistic three-dimensional problems is still hampered by the size of the resulting optimisation problem. Current solvers may take a prohibitive computational time, if they give a solution at all. The possible remedies to this are the design of adaptive de-remeshing techniques, decomposition of the system of equations or of the optimisation problem. This paper concentrates on the last approach, and presents an algorithm especially suited for limit analysis. Optimisation problems in limit analysis are in general convex but non-linear. This fact renders the design of decomposition techniques specially challenging. The efficiency of general approaches such as Benders or Dantzig–Wolfe is not always satisfactory, and strongly depends on the structure of the optimisation problem. This work presents a new method that is based on rewriting the feasibility region of the global optimisation problem as the intersection of two subsets. By resorting to the averaged alternating reflections (AAR) method in order to find the distance between the sets, the optimisation problem is successfully solved in a decomposed manner. Some representative examples illustrate the application of the method and its efficiency with respect to other well-known decomposition algorithms.
2017-10-20T10:53:50ZMuñoz Romero, JoséRabiei, NimaDespite the recent progress in optimisation techniques, finite-element stability analysis of realistic three-dimensional problems is still hampered by the size of the resulting optimisation problem. Current solvers may take a prohibitive computational time, if they give a solution at all. The possible remedies to this are the design of adaptive de-remeshing techniques, decomposition of the system of equations or of the optimisation problem. This paper concentrates on the last approach, and presents an algorithm especially suited for limit analysis. Optimisation problems in limit analysis are in general convex but non-linear. This fact renders the design of decomposition techniques specially challenging. The efficiency of general approaches such as Benders or Dantzig–Wolfe is not always satisfactory, and strongly depends on the structure of the optimisation problem. This work presents a new method that is based on rewriting the feasibility region of the global optimisation problem as the intersection of two subsets. By resorting to the averaged alternating reflections (AAR) method in order to find the distance between the sets, the optimisation problem is successfully solved in a decomposed manner. Some representative examples illustrate the application of the method and its efficiency with respect to other well-known decomposition algorithms.Ferroelectrics as smart mechanical materials
http://hdl.handle.net/2117/108844
Ferroelectrics as smart mechanical materials
Cordero Edwards, Kumara; Domingo Marimon, Neus; Abdollahi Hosnijeh, Amir; Sort Viñas, Jordi; Catalan, Gustau
The mechanical properties of materials are insensitive to space inversion, even when they are crystallographically asymmetric. In practice, this means that turning a piezoelectric crystal upside down or switching the polarization of a ferroelectric should not change its mechanical response. Strain gradients, however, introduce an additional source of asymmetry that has mechanical consequences. Using nanoindentation and contact-resonance force microscopy, this study demonstrates that the mechanical response to indentation of a uniaxial ferroelectric (LiNbO3) does change when its polarity is switched, and use this mechanical asymmetry both to quantify its flexoelectricity and to mechanically read the sign of its ferroelectric domains.
This is the peer reviewed version of the following article: Cordero, K., Domingo Marimon, Neus, Abdollahi, A., Sort Viñas, Jordi, Catalan, G. Ferroelectrics as smart mechanical materials. "Advanced materials", 21 Juliol 2017, vol. 29, núm. 37, p. 1-6, which has been published in final form at DOI: 10.1002/adma.201702210. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
2017-10-19T08:43:20ZCordero Edwards, KumaraDomingo Marimon, NeusAbdollahi Hosnijeh, AmirSort Viñas, JordiCatalan, GustauThe mechanical properties of materials are insensitive to space inversion, even when they are crystallographically asymmetric. In practice, this means that turning a piezoelectric crystal upside down or switching the polarization of a ferroelectric should not change its mechanical response. Strain gradients, however, introduce an additional source of asymmetry that has mechanical consequences. Using nanoindentation and contact-resonance force microscopy, this study demonstrates that the mechanical response to indentation of a uniaxial ferroelectric (LiNbO3) does change when its polarity is switched, and use this mechanical asymmetry both to quantify its flexoelectricity and to mechanically read the sign of its ferroelectric domains.Coexistence of wrinkles and blisters in supported graphene
http://hdl.handle.net/2117/108583
Coexistence of wrinkles and blisters in supported graphene
Zang, Kuan; Arroyo Balaguer, Marino
Blisters induced by gas trapped in the interstitial space between supported graphene and the substrate are commonly observed. These blisters are often quasi-spherical with a circular rim, but polygonal blisters are also common and coexist with wrinkles emanating from their vertices. Here, we show that these different blister morphologies can be understood mechanically in terms of free energy minimization of the supported graphene sheet for a given mass of trapped gas and for a given lateral strain. Using a nonlinear continuum model for supported graphene closely reproducing experimental images of blisters, we build a morphological diagram as a function of strain and trapped mass. We show that the transition from quasi-spherical to polygonal of blisters as compressive strain is increased is a process of stretching energy relaxation and focusing, as many other crumpling events in thin sheets. Furthermore, to characterize this transition, we theoretically examine the onset of nucleation of short wrinkles in the periphery of a quasi-spherical blister. Our results are experimentally testable and provide a framework to control complex out-of-plane motifs in supported graphene combining blisters and wrinkles for strain engineering of graphene.
2017-10-10T10:43:11ZZang, KuanArroyo Balaguer, MarinoBlisters induced by gas trapped in the interstitial space between supported graphene and the substrate are commonly observed. These blisters are often quasi-spherical with a circular rim, but polygonal blisters are also common and coexist with wrinkles emanating from their vertices. Here, we show that these different blister morphologies can be understood mechanically in terms of free energy minimization of the supported graphene sheet for a given mass of trapped gas and for a given lateral strain. Using a nonlinear continuum model for supported graphene closely reproducing experimental images of blisters, we build a morphological diagram as a function of strain and trapped mass. We show that the transition from quasi-spherical to polygonal of blisters as compressive strain is increased is a process of stretching energy relaxation and focusing, as many other crumpling events in thin sheets. Furthermore, to characterize this transition, we theoretically examine the onset of nucleation of short wrinkles in the periphery of a quasi-spherical blister. Our results are experimentally testable and provide a framework to control complex out-of-plane motifs in supported graphene combining blisters and wrinkles for strain engineering of graphene.Numerical modeling of erosion using an improvement of the extended finite element method
http://hdl.handle.net/2117/108059
Numerical modeling of erosion using an improvement of the extended finite element method
Cottereau, Régis; Díez, Pedro
We present in this paper a numerical model of the erosion of a soil that accounts for both the flow in the open fluid and the flow of fluid through the porous soil. The interface between the open fluid and the soil is represented using a level-set function, and the erosion is controlled by the shear stress vector. The evaluation of the approximate value of this gradient is particularly focused on, and an improved method, called XFE+ method, is presented. Numerical results in 2D and 3D illustrate the accuracy and the potentiality of this method.
This is an Accepted Manuscript of an article published by Taylor & Francis Group in "European journal of environmental and civil engineering" on 2011, available online at: http://www.tandfonline.com/doi/abs/10.1080/19648189.2011.9714848
2017-09-27T09:09:01ZCottereau, RégisDíez, PedroWe present in this paper a numerical model of the erosion of a soil that accounts for both the flow in the open fluid and the flow of fluid through the porous soil. The interface between the open fluid and the soil is represented using a level-set function, and the erosion is controlled by the shear stress vector. The evaluation of the approximate value of this gradient is particularly focused on, and an improved method, called XFE+ method, is presented. Numerical results in 2D and 3D illustrate the accuracy and the potentiality of this method.The main factors and rules of stress shadow of perpendicular cracks
http://hdl.handle.net/2117/108040
The main factors and rules of stress shadow of perpendicular cracks
Wang, Daobing; Zhou, Fujian; Ge, Hongkui; Zlotnik, Sergio; Yang, Xiangtong; Peng, Jinlong
Based on elasticity theory, we use numerical Galerkin finite element discretization method and implement Matlab finite element code to simulate “stress shadow” distributions of mutual orthogonal fractures. The principal stress and principal distributions have the symmetry characteristic on the intersection (coordinate origin). The relationships between stress shadow and flow pressure ratio, pore pressure, fluid pressure and horizontal stress contract are analyzed, respectively. By these techniques of variable displacement construction, changing the viscosity of the fracturing fluid, exploitation of oil and gas wells changing pump rate and fracturing fluid viscosity, reducing pore pressure and increasing the injection volume, taking the advantages of shadow effect, it is likely to produce a complex fracture network.
2017-09-26T16:58:22ZWang, DaobingZhou, FujianGe, HongkuiZlotnik, SergioYang, XiangtongPeng, JinlongBased on elasticity theory, we use numerical Galerkin finite element discretization method and implement Matlab finite element code to simulate “stress shadow” distributions of mutual orthogonal fractures. The principal stress and principal distributions have the symmetry characteristic on the intersection (coordinate origin). The relationships between stress shadow and flow pressure ratio, pore pressure, fluid pressure and horizontal stress contract are analyzed, respectively. By these techniques of variable displacement construction, changing the viscosity of the fracturing fluid, exploitation of oil and gas wells changing pump rate and fracturing fluid viscosity, reducing pore pressure and increasing the injection volume, taking the advantages of shadow effect, it is likely to produce a complex fracture network.Monitoring a PGD solver for parametric power flow problems with goal-oriented error assessment
http://hdl.handle.net/2117/107471
Monitoring a PGD solver for parametric power flow problems with goal-oriented error assessment
García Blanco, Raquel; Borzacchiello, Domenico; Chinesta, Francisco; Díez, Pedro
The parametric analysis of electric grids requires carrying out a large number of Power Flow computations. The different parameters describe loading conditions and grid properties. In this framework, the Proper Generalized Decomposition (PGD) provides a numerical solution explicitly accounting for the parametric dependence. Once the PGD solution is available, exploring the multidimensional parametric space is computationally inexpensive. The aim of this paper is to provide tools to monitor the error associated with this significant computational gain and to guarantee the quality of the PGD solution. In this case, the PGD algorithm consists in three nested loops that correspond to 1) iterating algebraic solver, 2) number of terms in the separable greedy expansion and 3) the alternated directions for each term. In the proposed approach, the three loops are controlled by stopping criteria based on residual goal-oriented error estimates. This allows one for using only the computational resources necessary to achieve the accuracy prescribed by the end- user. The paper discusses how to compute the goal-oriented error estimates. This requires linearizing the error equation and the Quantity of Interest to derive an efficient error representation based on an adjoint problem. The efficiency of the proposed approach is demonstrated on benchmark problems.
This is the peer reviewed version of the following article: [García-Blanco, R., Borzacchiello, D., Chinesta, F., and Diez, P. (2017) Monitoring a PGD solver for parametric power flow problems with goal-oriented error assessment. Int. J. Numer. Meth. Engng, 111: 529–552. doi: 10.1002/nme.5470], which has been published in final form at http://onlinelibrary.wiley.com/doi/10.1002/nme.5470/full. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
2017-09-06T17:48:16ZGarcía Blanco, RaquelBorzacchiello, DomenicoChinesta, FranciscoDíez, PedroThe parametric analysis of electric grids requires carrying out a large number of Power Flow computations. The different parameters describe loading conditions and grid properties. In this framework, the Proper Generalized Decomposition (PGD) provides a numerical solution explicitly accounting for the parametric dependence. Once the PGD solution is available, exploring the multidimensional parametric space is computationally inexpensive. The aim of this paper is to provide tools to monitor the error associated with this significant computational gain and to guarantee the quality of the PGD solution. In this case, the PGD algorithm consists in three nested loops that correspond to 1) iterating algebraic solver, 2) number of terms in the separable greedy expansion and 3) the alternated directions for each term. In the proposed approach, the three loops are controlled by stopping criteria based on residual goal-oriented error estimates. This allows one for using only the computational resources necessary to achieve the accuracy prescribed by the end- user. The paper discusses how to compute the goal-oriented error estimates. This requires linearizing the error equation and the Quantity of Interest to derive an efficient error representation based on an adjoint problem. The efficiency of the proposed approach is demonstrated on benchmark problems.A semi-analytical scheme for highly oscillatory integrals over tetrahedra
http://hdl.handle.net/2117/107470
A semi-analytical scheme for highly oscillatory integrals over tetrahedra
Hospital Bravo, Raúl; Sarrate Ramos, Josep; Díez, Pedro
This paper details a semi-analytical procedure to efficiently integrate the product of a smooth function and a complex exponential over tetrahedral elements. These highly oscillatory integrals appear at the core of different numerical techniques. Here, the Partition of Unity Method (PUM) enriched with plane waves is used as motivation. The high computational cost or the lack of accuracy in computing these integrals is a bottleneck for their application to engineering problems of industrial interest. In this integration rule, the non-oscillatory function is expanded into a set of Lagrange polynomials. In addition, Lagrange polynomials are expressed as a linear combination of the appropriate set of monomials, whose product with the complex exponentials is analytically integrated, leading to 16 specific cases that are developed in detail. Finally, we present several numerical examples to assess the accuracy and the computational efficiency of the proposed method, compared to standard Gauss-Legendre quadratures.
This is the peer reviewed version of the following article: [Hospital-Bravo, R., Sarrate, J., and Díez, P. (2017) A semi-analytical scheme for highly oscillatory integrals over tetrahedra. Int. J. Numer. Meth. Engng, 111: 703–723. doi: 10.1002/nme.5474], which has been published in final form at http://onlinelibrary.wiley.com/doi/10.1002/nme.5474/full. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
2017-09-06T17:36:23ZHospital Bravo, RaúlSarrate Ramos, JosepDíez, PedroThis paper details a semi-analytical procedure to efficiently integrate the product of a smooth function and a complex exponential over tetrahedral elements. These highly oscillatory integrals appear at the core of different numerical techniques. Here, the Partition of Unity Method (PUM) enriched with plane waves is used as motivation. The high computational cost or the lack of accuracy in computing these integrals is a bottleneck for their application to engineering problems of industrial interest. In this integration rule, the non-oscillatory function is expanded into a set of Lagrange polynomials. In addition, Lagrange polynomials are expressed as a linear combination of the appropriate set of monomials, whose product with the complex exponentials is analytically integrated, leading to 16 specific cases that are developed in detail. Finally, we present several numerical examples to assess the accuracy and the computational efficiency of the proposed method, compared to standard Gauss-Legendre quadratures.