Topological sensitivity analysis in heterogeneous anisotropic elasticity problem: theoretical and computational aspects

The topological sensitivity analysis for the heterogeneous and anisotropic elasticity problem in two-dimensions is performed in this work. The main result of the paper is an analytical closed-form of the topological derivative for the total potential energy of the problem. This derivative displays the sensitivity of the cost functional (the energy in this case) when a small singular perturbation is introduced in an arbitrary point of the domain. In this case, we consider a small disc with a completely different elastic material. Full mathematical justification for the derived formula, and derivations of precise estimates for the remainders of the topological asymptotic expansion are provided. Finally, the influence of the heterogeneity and anisotropy is shown through some numerical examples of structural topology optimization.Peer ReviewedPostprint (author's final draft

High performance reduced order modeling techniques based on optimal energy quadrature: application to geometrically non-linear multiscale inelastic material modeling

A High-Performance Reduced-Order Model (HPROM) technique, previously presented by the authors in the context of hierarchical multiscale models for non linear-materials undergoing infinitesimal strains, is generalized to deal with large deformation elasto-plastic problems. The proposed HPROM technique uses a Proper Orthogonal Decomposition procedure to build a reduced basis of the primary kinematical variable of the micro-scale problem, defined in terms of the micro-deformation gradient fluctuations. Then a Galerkin-projection, onto this reduced basis, is utilized to reduce the dimensionality of the micro-force balance equation, the stress homogenization equation and the effective macro-constitutive tangent tensor equation. Finally, a reduced goal-oriented quadrature rule is introduced to compute the non-affine terms of these equations. Main importance in this paper is given to the numerical assessment of the developed HPROM technique. The numerical experiments are performed on a micro-cell simulating a randomly distributed set of elastic inclusions embedded into an elasto-plastic matrix. This micro-structure is representative of a typical ductile metallic alloy. The HPROM technique applied to this type of problem displays high computational speed-ups, increasing with the complexity of the finite element model. From these results, we conclude that the proposed HPROM technique is an effective computational tool for modeling, with very large speed-ups and acceptable accuracy levels with respect to the high-fidelity case, the multiscale behavior of heterogeneous materials subjected to large deformations involving two well-separated scales of length.Peer ReviewedPostprint (author's final draft

Computational material design for acoustic cloaking

A topology optimization technique based on the topological derivative and the level set function is utilized to design/synthesize the micro-structure of a pentamode material for an acoustic cloaking device. The technique provides a micro-structure consisting of a honeycomb lattice composed of needle-like and joint members. The resulting metamaterial shows a highly anisotropic elastic response with effective properties displaying a ratio between bulk and shear moduli of almost 3 orders of magnitude. Furthermore, in accordance with previous works in the literature, it can be asserted that this kind of micro-structure can be realistically fabricated. The adoption of a topology optimization technique as a tool for the inverse design of metamaterials with applications to acoustic cloaking problems is one contribution of this paper. However, the most important achievement refers to the analysis and discussion revealing the key role of the external shape of the prescribed domain where the optimization problem is posed. The efficiency of the designed micro-structure is measured by comparing the scattering wave fields generated by acoustic plane waves impinging on bare and cloaked bodies.Peer ReviewedPostprint (published version

Mesoscopic model to simulate the mechanical behavior of reinforced concrete members affected by corrosion

In this contribution, a finite element methodology devised to simulate the structural deterioration of corroded reinforced concrete members is presented. The proposed numerical strategy has the ability to reproduce many of the well-known (undesirable) mechanical effects induced by corrosion processes in the embedded steel bars, as for example: expansion of the reinforcements due to the corrosion product accumulation, damage and cracking patterns distribution in the surrounding concrete, degradation of steel–concrete bond stress transfer, net area reduction in the reinforcements and, mainly, the influence of all these mentioned mechanisms on the structural load carrying capacity predictions. At the numerical level, each component of the RC structure is represented by means of a suitable FE formulation. For the concrete, a cohesive model based on the Continuum Strong Discontinuity Approach (CSDA) is used. Steel bars are modeled by means of an elasto-plastic constitutive relation. The interface is simulated using contact-friction elements, with the friction degradation as a function of the degree of corrosion attack. Two different (and coupled) mesoscopic analyzes are considered in order to describe the main physical phenomena that govern the problem: (i) an analysis at the cross section level and (ii) an analysis at the structural member level. The resultant mechanical model can be used to simulate generalized reinforcement corrosion. Experimental and previous numerical results, obtained from the available literature, are used to validate the proposed strategy.Financial support from the Spanish Ministry of Science and Technology trough grant BIA2005-09250-C03-03 and from ANPCyT of Argentina through grant PICT-2005- 34273, are gratefully acknowledged.Peer Reviewe

Topological sensitivity analysis in heterogeneous anisotropic elasticity problem: theoretical and computational aspects

The topological sensitivity analysis for the heterogeneous and anisotropic elasticity problem in two-dimensions is performed in this work. The main result of the paper is an analytical closed-form of the topological derivative for the total potential energy of the problem. This derivative displays the sensitivity of the cost functional (the energy in this case) when a small singular perturbation is introduced in an arbitrary point of the domain. In this case, we consider a small disc with a completely different elastic material. Full mathematical justification for the derived formula, and derivations of precise estimates for the remainders of the topological asymptotic expansion are provided. Finally, the influence of the heterogeneity and anisotropy is shown through some numerical examples of structural topology optimization.Peer Reviewe

On multi-scale computational design of structural materials using the topological derivative

This book brings together some 20 chapters on state-of-the-art research in the broad field of computational plasticity with applications in civil and mechanical engineering, metal forming processes, geomechanics, nonlinear structural analysis, composites, biomechanics and multi-scale analysis of materials, among others. The chapters are written by world leaders in the different fields of computational plasticity.Peer ReviewedPostprint (author's final draft

Computational material design for acoustic cloaking

A topology optimization technique based on the topological derivative and the level set function is utilized to design/synthesize the micro-structure of a pentamode material for an acoustic cloaking device. The technique provides a micro-structure consisting of a honeycomb lattice composed of needle-like and joint members. The resulting metamaterial shows a highly anisotropic elastic response with effective properties displaying a ratio between bulk and shear moduli of almost 3 orders of magnitude. Furthermore, in accordance with previous works in the literature, it can be asserted that this kind of micro-structure can be realistically fabricated. The adoption of a topology optimization technique as a tool for the inverse design of metamaterials with applications to acoustic cloaking problems is one contribution of this paper. However, the most important achievement refers to the analysis and discussion revealing the key role of the external shape of the prescribed domain where the optimization problem is posed. The efficiency of the designed micro-structure is measured by comparing the scattering wave fields generated by acoustic plane waves impinging on bare and cloaked bodies.Peer Reviewe

High performance reduced order modeling techniques based on optimal energy quadrature: application to geometrically non-linear multiscale inelastic material modeling

A High-Performance Reduced-Order Model (HPROM) technique, previously presented by the authors in the context of hierarchical multiscale models for non linear-materials undergoing infinitesimal strains, is generalized to deal with large deformation elasto-plastic problems. The proposed HPROM technique uses a Proper Orthogonal Decomposition procedure to build a reduced basis of the primary kinematical variable of the micro-scale problem, defined in terms of the micro-deformation gradient fluctuations. Then a Galerkin-projection, onto this reduced basis, is utilized to reduce the dimensionality of the micro-force balance equation, the stress homogenization equation and the effective macro-constitutive tangent tensor equation. Finally, a reduced goal-oriented quadrature rule is introduced to compute the non-affine terms of these equations. Main importance in this paper is given to the numerical assessment of the developed HPROM technique. The numerical experiments are performed on a micro-cell simulating a randomly distributed set of elastic inclusions embedded into an elasto-plastic matrix. This micro-structure is representative of a typical ductile metallic alloy. The HPROM technique applied to this type of problem displays high computational speed-ups, increasing with the complexity of the finite element model. From these results, we conclude that the proposed HPROM technique is an effective computational tool for modeling, with very large speed-ups and acceptable accuracy levels with respect to the high-fidelity case, the multiscale behavior of heterogeneous materials subjected to large deformations involving two well-separated scales of length.Peer Reviewe

Preharvest Applications of Oxalic Acid and Salicylic Acid Increase Fruit Firmness and Polyphenolic Content in Blueberry (<i>Vaccinium corymbosum</i> L.)

Blueberry exports that imply transport times of more than 25 d deteriorate their quality. The use of elicitors in preharvest has shown positive effects on the quality of berries such as grapes. The objective of this study was to evaluate preharvest applications (21, 14, and 7 d before harvest) of oxalic acid (OA) and salicylic acid (SA) on fruit firmness and phenolic compounds in blueberry. The treatments of 0, 2, and 4 mM OA in ‘Kirra’ and 0, 2, and 4 mM SA are in ‘Stella blue’. With the earlier preharvest application, ‘Kirra’ presented better firmness than ‘Stella blue’; however, 2 mM OA and SA in both cultivars increased fruit firmness, maintaining its weight and diameter with respect to the control. It should be noted that the treatment with 2 mM SA generated a 100% increase in polyphenolic content and antioxidant capacity (p −1 and 80 mg 100 g−1 fresh weight (FW), respectively. In Kirra, OA treatments did not have a significant impact on the polyphenol content, but 4 mM OA increased by 100% and 20%, total anthocyanin and antioxidant capacity of blueberry fruit, respectively. Based on our results, three pre-harvest applications of OA and SA during the fruit development until the beginning of ripening improve fruit firmness by up to 20% at different times of harvest

A New Series of Antibacterial Nitrosopyrimidines: Synthesis and 3 Structure?Activity Relationship

New nitrosopyrimidines were synthesized and evaluated as potential antibacterial agents. Different compounds structurally related with 4,6-bis(alkyl or arylamino)-5-nitrosopyrimidines were evaluated. Some of these nitrosopyrimidines displayed significant antibacterial activity against human pathogenic bacteria. Among them compounds 1c, 2a–c, and 9a–c exhibited remarkable activity against methicillin-sensitive and -resistant Staphylococcus aureus, Escherichia coli, Yersinia enterocolitica, and Salmonella enteritidis. A detailed structure–activity relationship study, supported by theoretical calculations, aided us to identify and understand the minimal structural requirements for the antibacterial action of the nitrosopyrimidines reported here. Thus, our results have led us to identify a topographical template that provides a guide for the design of new nitrosopyrimidines with antibacterial effects.Fil: Olivella, Monica. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia; ArgentinaFil: Marchal, Antonio. Universidad de Jaén; EspañaFil: Nogueras, Manuel. Universidad de Jaén; EspañaFil: Melguizo, Manuel. Universidad de Jaén; EspañaFil: Lima, Beatriz Viviana. Universidad Nacional de San Juan. Facultad de Ingeniería. Instituto de Biotecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Tapia, Alejandro. Universidad Nacional de San Juan. Facultad de Ingeniería. Instituto de Biotecnología; ArgentinaFil: Feresin, Gabriela Egly. Universidad Nacional de San Juan. Facultad de Ingeniería. Instituto de Biotecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Parravicini, Oscar. Universidad Nacional de Tucumán. Facultad de Bioquímica, Química y Farmacia. Instituto de Química Orgánica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Giannini, Fernando. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia; ArgentinaFil: Andujar, Sebastian Antonio. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; ArgentinaFil: Cobo, Justo. Universidad de Jaén; EspañaFil: Enriz, Ricardo Daniel. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentin