Ultra-wide Spectral Bandwidth and Enhanced Absorption in a Metallic Compound Grating Covered by Graphene Monolayer

Graphene, a two-dimensional monatomic layer of carbon material, has demonstrated as a good candidate for applications of ultrafast photodetectors, transistors, transparent electrodes, and biosensing. Recently, many studies have shown that using metallic deep gratings could enhance the absorptance of graphene of 2.3% up to 80% in the near infrared region for applications in photon detection. This paper presents utilizing a nanograting structure, namely, a compound metallic grating could greatly enhance the absorptance of graphene to 100% and widen its spectral bandwidth to 600 nm, which are greater than those of previous work. The study also showed that the absorptance spectrum is insensitive to angles of incidence. Furthermore, the proposed graphene-covered compound grating might bring a lot of benefits for graphene designs-based optical and optoelectronic devices

Efficient recovery-based error estimation for the smoothed finite element method for smooth and singular linear elasticity

[EN] An error control technique aimed to assess the quality of smoothed finite element approximations is presented in this paper. Finite element techniques based on strain smoothing appeared in 2007 were shown to provide significant advantages compared to conventional finite element approximations. In particular, a widely cited strength of such methods is improved accuracy for the same computational cost. Yet, few attempts have been made to directly assess the quality of the results obtained during the simulation by evaluating an estimate of the discretization error. Here we propose a recovery type error estimator based on an enhanced recovery technique. The salient features of the recovery are: enforcement of local equilibrium and, for singular problems a ¿smooth + singular¿ decomposition of the recovered stress. We evaluate the proposed estimator on a number of test cases from linear elastic structural mechanics and obtain efficient error estimations whose effectivities, both at local and global levels, are improved compared to recovery procedures not implementing these features.Stephane Bordas would like to thank the partial financial support of the Royal Academy of Engineering and of the Leverhulme Trust for his Senior Research Fellowship Towards the next generation surgical simulators as well as the financial support for Octavio A. Gonzalez-Estrada and Stephane Bordas from the UK Engineering Physical Science Research Council (EPSRC) under grant EP/G042705/1 Increased Reliability for Industrially Relevant Automatic Crack Growth Simulation with the eXtended Finite Element Method. Stephane Bordas also thanks partial financial support of the European Research Council Starting Independent Research Grant (ERC Stg grant agreement No. 279578) and the FP7 Initial Training Network Funding under grant number 289361 "Integrating Numerical Simulation and Geometric Design Technology, INSIST". This work has been carried out within the framework of the research project DPI2010-20542 of the Ministerio de Ciencia e Innovacion (Spain). The financial support from Universitat Politecnica de Valencia, PROMETEO/2012/023 and Generalitat Valenciana are also acknowledged.González Estrada, OA.; Natarajan, S.; J.J. Ródenas; Nguyen-Xuan, H.; Bordas, S. (2013). Efficient recovery-based error estimation for the smoothed finite element method for smooth and singular linear elasticity. Computational Mechanics. 52(1):37-52. https://doi.org/10.1007/s00466-012-0795-6S3752521Liu GR, Dai KY, Nguyen TT (2006) A smoothed finite element method for mechanics problems. 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Commun Numer Methods Eng 25: 19–34Nguyen-Xuan H, Rabczuk T, Bordas S, Debongnie JF (2008) A smoothed finite element method for plate analysis. Comput Methods Appl Mech Eng 197: 1184–1203Nguyen NT, Rabczuk T, Nguyen-Xuan H, Bordas S (2008) A smoothed finite element method for shell analysis. Comput Methods Appl Mech Eng 198: 165–177Bordas SPA, Rabczuk T, Hung NX, Nguyen VP, Natarajan S, Bog T, óuan DM, Hiep NV (2010) Strain smoothing in FEM and XFEM. Comput Struct 88(23–24): 1419–1443. doi: 10.1016/j.compstruc.2008.07.006Bordas SP, Natarajan S, Kerfriden P, Augarde CE, Mahapatra DR, Rabczuk T, Pont SD (2011) On the performance of strain smoothing for óuadratic and enriched finite element approximations (XFEM/GFEM/PUFEM). Int J Numer Methods Biomed Eng 86: 637–666Liu G, Nguyen-Thoi T, Nguyen-Xuan H, Dai K, Lam K (2009) On the essence and the evaluation of the shape functions for the smoothed finite element method (SFEM). Int J Numer Methods Eng 77: 1863–1869. doi: 10.1002/nme.2587Strouboulis T, Zhang L, Wang D, Babuška I. (2006) A posteriori error estimation for generalized finite element methods. Comput Methods Appl Mech Eng 195(9–12): 852–879Bordas SPA, Duflot M (2007) Derivative recovery and a posteriori error estimate for extended finite elements. Comput Methods Appl Mech Eng 196(35–36): 3381–3399Xiao óZ, Karihaloo BL (2004) Statically admissible stress recovery using the moving least sóuares technique. In: Topping BHV, Soares CAM (eds) Progress in computational structures technology. Saxe-Coburg Publications, Stirling, pp 111–138Ródenas JJ, González-Estrada OA, Tarancón JE, Fuenmayor FJ (2008) A recovery-type error estimator for the extended finite element method based on singular + smooth stress field splitting. Int J Numer Methods Eng 76(4): 545–571. doi: 10.1002/nme.2313Panetier J, Ladevèze P, Chamoin L (2010) Strict and effective bounds in goal-oriented error estimation applied to fracture mechanics problems solved with XFEM. Int J Numer Methods Eng 81(6): 671–700Barros FB, Proenca SPB, de Barcellos CS (2004) On error estimator and p-adaptivity in the generalized finite element method. Int J Numer Methods Eng 60(14):2373–2398. doi: 10.1002/nme.1048Nguyen-Thoi T, Liu G, Nguyen-Xuan H, Nguyen-Tran C (2011) Adaptive analysis using the node-based smoothed finite element method (NS-FEM). Int J Numer Methods Biomed Eng 27(2): 198–218. doi: 10.1002/cnmGonzález-Estrada OA, Ródenas JJ, Bordas SPA, Duflot M, Kerfriden P, Giner E (2012) On the role of enrichment and statical admissibility of recovered fields in a-posteriori error estimation for enriched finite element methods. Eng Comput 29(8)Zienkiewicz OC, Zhu JZ (1987) A simple error estimator and adaptive procedure for practical engineering analysis. Int J Numer Methods Eng 24(2): 337–357Ródenas JJ, González-Estrada OA, Díez P, Fuenmayor FJ (2010) Accurate recovery-based upper error bounds for the extended finite element framework. Comput Methods Appl Mech Eng 199(37–40): 2607–2621Williams ML (1952) Stress singularities resulting from various boundary conditions in angular corners of plate in extension. J Appl Mech 19: 526–534Szabó BA, Babuška I (1991) Finite element analysis. Wiley, New YorkBarber JR. (2010) Elasticity. Series: solid mechanics and its application, 3rd edn. Springer, DordrechtChen JS, Wu CT, Yoon S, You Y (2001) A stabilized conforming nodal integration for Galerki mesh-free methods. Int J Numer Methods Eng 50: 435–466Yoo J, Moran B, Chen J (2004) Stabilized conforming nodal integration in the natural element method. Int J Numer Methods Eng 60: 861–890Zienkiewicz OC, Zhu JZ (1992) The superconvergent patch recovery and a posteriori error estimates. Part 1: The recovery technique. Int J Numer Methods Eng 33(7): 1331–1364Zienkiewicz OC, Zhu JZ (1992) The superconvergent patch recovery and a posteriori error estimates. Part 2: Error estimates and adaptivity. Int J Numer Methods Eng 33(7): 1365–1382Wiberg NE, Abdulwahab F (1993) Patch recovery based on superconvergent derivatives and eóuilibrium. Int J Numer Methods Eng 36(16): 2703–2724. doi: 10.1002/nme.1620361603Blacker T, Belytschko T (1994) Superconvergent patch recovery with eóuilibrium and conjoint interpolant enhancements. Int J Numer Methods Eng 37(3): 517–536Stein E, Ramm E, Rannacher R (2003) Error-controlled adaptive finite elements in solid mechanics. Wiley, ChichesterDuflot M, Bordas SPA (2008) A posteriori error estimation for extended finite elements by an extended global recovery. 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In: Khalili N, Valliappan S, Li ó, Russell A (eds) 9th World congress on computational mechanics (WCCM9). 4th Asian Pacific Congress on computational methods (APCOM2010). Centre for Infrastructure Engineering and SafetyRódenas JJ, González-Estrada OA, Díez P, Fuenmayor FJ (2007) Upper bounds of the error in the extended finite element method by using an eóuilibrated-stress patch recovery technique. In: International conference on adaptive modeling and simulation (ADMOS 2007). International Center for Numerical Methods in Engineering (CIMNE), pp 210–213Menk A, Bordas S (2010) Numerically determined enrichment function for the extended finite element method and applications to bi-material anisotropic fracture and polycrystals. Int J Numer Methods Eng 83: 805–828Menk A, Bordas S (2011) Crack growth calculations in solder joints based on microstructural phenomena with X-FEM. 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Carbon Dioxide Utilisation -The Formate Route

UIDB/50006/2020 CEEC-Individual 2017 Program Contract.The relentless rise of atmospheric CO2 is causing large and unpredictable impacts on the Earth climate, due to the CO2 significant greenhouse effect, besides being responsible for the ocean acidification, with consequent huge impacts in our daily lives and in all forms of life. To stop spiral of destruction, we must actively reduce the CO2 emissions and develop new and more efficient “CO2 sinks”. We should be focused on the opportunities provided by exploiting this novel and huge carbon feedstock to produce de novo fuels and added-value compounds. The conversion of CO2 into formate offers key advantages for carbon recycling, and formate dehydrogenase (FDH) enzymes are at the centre of intense research, due to the “green” advantages the bioconversion can offer, namely substrate and product selectivity and specificity, in reactions run at ambient temperature and pressure and neutral pH. In this chapter, we describe the remarkable recent progress towards efficient and selective FDH-catalysed CO2 reduction to formate. We focus on the enzymes, discussing their structure and mechanism of action. Selected promising studies and successful proof of concepts of FDH-dependent CO2 reduction to formate and beyond are discussed, to highlight the power of FDHs and the challenges this CO2 bioconversion still faces.publishersversionpublishe

An edge-based smoothed finite element method with stabilized discrete shear gap technique for analysis of Reissner–Mindlin plates. Comput Methods Appl Mech Eng (revised)

Abstract An edge-based smoothed finite element method (ES-FEM) using triangular elements was recently proposed to improve the accuracy and convergence rate of the existing standard finite element method (FEM) for the elastic solid mechanics problems. In this paper, the ES-FEM is extended to more complicated visco-elastoplastic analyses using the von-Mises yield function and the Prandtl-Reuss flow rule. The material behavior includes perfect visco-elastoplasticity and visco-elastoplasticity with isotropic and linear kinematic hardening. The formulation shows that the bandwidth of stiffness matrix of the ES-FEM is larger than that of the FEM, and hence the computational cost of the ES-FEM in numerical examples is larger than that of the FEM for the same mesh. However, when the efficiency of computation (computation time for the same accuracy) in terms of a posteriori error estimation is considered, the ES-FEM is more efficient than the FEM. Keywords Numerical methods · Edge-based smoothed finite element method (ES-FEM) · Finite element method (FEM) · Strain smoothing technique · Visco-elastoplastic analysi