@inproceedings{NonnCerroneStallybrassetal., author = {Nonn, Aida and Cerrone, Albert R. and Stallybrass, C. and Meuser, H.}, title = {Microstructure-based modeling of high-strength linepipe steels}, series = {6th Pipeline Technology Conference 2013, 6-9 October, Ostend, Belgium}, booktitle = {6th Pipeline Technology Conference 2013, 6-9 October, Ostend, Belgium}, doi = {10.13140/2.1.2797.4404}, abstract = {HE MODERN LONGITUDINALLY WELDED pipes with new generation of steel materials exhibit excellent mechanical properties due to the continuous improvements in thermomechanical controlled processing of plates (TMCP) and pipe (UOE) production processes. While the adjustment of process parameters allows for optimized design of microstructure, safe installation and operation of these pipes for long distance, gas transmission pipelines require a detailed knowledge and characterization of their deformation and fracture performance for specific application. Although the influence of texture on the material properties can be qualitatively estimated, a quantitative link between the microstructural constituents and mechanical behavior is still missing. This paper aims to present the procedure for the development of microstructure-based model to quantitatively describe the mechanical behavior of bainitic X80 pipeline steel. In the first step, the metallographic analysis is conducted to identify the microstructural characteristics, such as volume fractions of microstructure constituents (granular and lower bainite, M-A phase) and their distributions. The strength properties in terms of flow curves are determined by tensile tests on mini-flat and round bar specimens with different sizes. Subsequently, a 2D three-phase model is developed based on the results from the quantitative analyses of microstructure with each phase modeled using the von-Mises plasticity theory. The flow curves of single phases are estimated by considering experimental findings, the chemical composition and microstructural description of each phase. This 2D FE model is then applied to predict ielding and hardening behavior. In addition to the 2D three-phase model, a 3D two-phase model is developed for the purposes of exploring the viability of using a spectral solver to analyze X80 synthetic microstructures. Here, the FFT-based approach is compared against the crystal-plastic finite-element method. The results contribute to a better understanding of the mechanical behavior and allow a more precise microstructure design of the bainitic steels.}, language = {en} } @article{CerroneWawrzynekNonnetal., author = {Cerrone, Albert R. and Wawrzynek, Paul and Nonn, Aida and Paulino, Glaucio H. and Ingraffea, Anthony}, title = {Implementation and verification of the Park-Paulino-Roesler cohesive zone model in 3D}, series = {Engineering Fracture Mechanics}, volume = {120}, journal = {Engineering Fracture Mechanics}, doi = {10.1016/j.engfracmech.2014.03.010}, pages = {26 -- 42}, abstract = {The Park-Paulino-Roesler (PPR) potential-based model is a cohesive constitutive model formulated to be consistent under a high degree of mode-mixity. Herein, the PPR's generalization to three-dimensions is detailed, its implementation in a finite element framework is discussed, and its use in single-core and high performance computing (HPC) applications is demonstrated. The PPR model is shown to be an effective constitutive model to account for crack nucleation and propagation in a variety of applications including adhesives, composites, linepipe steel, and microstructures.}, language = {en} } @article{CerroneNonnHochhalteretal., author = {Cerrone, Albert R. and Nonn, Aida and Hochhalter, J. D. and Bomarito, Geoffrey F. and Warner, J. E. and Carter, Bruce J.}, title = {Predicting failure of the Second Sandia Fracture Challenge geometry with a real-world, time constrained, over-the-counter methodology}, series = {International Journal of Fracture}, volume = {198}, journal = {International Journal of Fracture}, number = {1-2}, doi = {10.1007/s10704-016-0086-x}, pages = {117 -- 126}, abstract = {An over-the-counter methodology to predict fracture initiation and propagation in the challenge specimen of the Second Sandia Fracture Challenge is detailed herein. This pragmatic approach mimics that of an engineer subjected to real-world time constraints and unquantified uncertainty. First, during the blind prediction phase of the challenge, flow and failure locus curves were calibrated for Ti-6Al-4V with provided tensile and shear test data for slow (0.0254 mm/s) and fast (25.4 mm/s) loading rates. Thereafter, these models were applied to a 3D finite-element mesh of the non-standardized challenge geometry with nominal dimensions to predict, among other items, crack path and specimen response. After the blind predictions were submitted to Sandia National Labs, they were improved upon by addressing anisotropic yielding, damage initiation under shear dominance, and boundary condition selection.}, language = {en} } @article{KeimCerroneNonn, author = {Keim, Vincent and Cerrone, Albert R. and Nonn, Aida}, title = {Using local damage models to predict fracture in additively manufactured specimens}, series = {International Journal of Fracture}, volume = {218}, journal = {International Journal of Fracture}, number = {1}, publisher = {Springer Nature}, doi = {10.1007/s10704-019-00371-z}, pages = {135 -- 147}, abstract = {This paper explores the efficacy of employing local damage models, normally applied to ductile material systems manufactured by subtractive techniques, to additively manufactured laboratory specimens. While these specimens were ductile and metallic, their additive character (i.e. porosity and surface roughness) could have had potential to activate multiple life-limiting failure paths, thus obfuscating failure prediction. Herein, two damage models are considered and compared: the micromechanical Gurson-Tvergaard-Needleman model and a Crack Band model of the strain-based, phenomenological genre. Simulations used to calibrate elastic and plastic material properties and predict damage in a novel, non-standard specimen were quasi-static, explicit. Both damage models proved capable in resolving the experimentally-observed failure path and associated loading conditions. The analyses described herein were made as part of the Third Sandia Fracture Challenge.}, language = {en} } @article{BoyceKramerBosiljevacetal., author = {Boyce, Brad L. and Kramer, Sharlotte L. B. and Bosiljevac, T. R. and Corona, Edmundo and Moore, J. A. and Elkhodary, Khalil and Simha, C. Hari Manoj and Williams, Bruce W. and Cerrone, Albert R. and Nonn, Aida and Hochhalter, Jacob D. and Bomarito, Geoffrey F. and Warner, James E. and Carter, Bruce J. and Warner, Derek H. and Ingraffea, Anthony R. and Zhang, T. and Fang, X. and Lua, Jim and Chiaruttini, Vincent and Maziere, Matthieu and Feld-Payet, Sylvia and Yastrebov, Vladislav A. and Besson, Jacques and Chaboche, Jean Louis and Lian, J. and Di, Y. and Wu, Bei and Novokshanov, Denis and Vajragupta, Napat and Kucharczyk, Pawel and Brinnel, Viktoria and Doebereiner, Benedikt and Muenstermann, Sebastian and Neilsen, Michael K. and Dion, Kristin and Karlson, Kyle N. and Foulk, James Wesley and Brown, Arthur A. and Veilleux, Michael G. and Bignell, John L. and Sanborn, Scott E. and Jones, Chris A. and Mattie, Patrick D. and Pack, Keunhwan and Wierzbicki, Tomasz and Chi, Sheng-Wei and Lin, S.-P. and Mahdavi, Ashkan and Predan, Jozef and Zadravec, Janko and Gross, Andrew J. and Ravi-Chandar, KRISHNASWAMY and Xue, Liang}, title = {The second Sandia Fracture Challenge: predictions of ductile failure under quasi-static and moderate-rate dynamic loading}, series = {International journal of fracture}, journal = {International journal of fracture}, number = {198, 1-2}, publisher = {Springer}, doi = {10.1007/s10704-016-0089-7}, pages = {5 -- 100}, abstract = {Ductile failure of structural metals is relevant to a wide range of engineering scenarios. Computational methods are employed to anticipate the critical conditions of failure, yet they sometimes provide inaccurate and misleading predictions. Challenge scenarios, such as the one presented in the current work, provide an opportunity to assess the blind, quantitative predictive ability of simulation methods against a previously unseen failure problem. Rather than evaluate the predictions of a single simulation approach, the Sandia Fracture Challenge relies on numerous volunteer teams with expertise in computational mechanics to apply a broad range of computational methods, numerical algorithms, and constitutive models to the challenge. This exercise is intended to evaluate the state of health of technologies available for failure prediction. In the first Sandia Fracture Challenge, a wide range of issues were raised in ductile failure modeling, including a lack of consistency in failure models, the importance of shear calibration data, and difficulties in quantifying the uncertainty of prediction [see Boyce et al. (Int J Fract 186:5-68, 2014) for details of these observations]. This second Sandia Fracture Challenge investigated the ductile rupture of a Ti-6Al-4V sheet under both quasi-static and modest-rate dynamic loading (failure in 0.1 s). Like the previous challenge, the sheet had an unusual arrangement of notches and holes that added geometric complexity and fostered a competition between tensile- and shear-dominated failure modes. The teams were asked to predict the fracture path and quantitative far-field failure metrics such as the peak force and displacement to cause crack initiation. Fourteen teams contributed blind predictions, and the experimental outcomes were quantified in three independent test labs. Additional shortcomings were revealed in this second challenge such as inconsistency in the application of appropriate boundary conditions, need for a thermomechanical treatment of the heat generation in the dynamic loading condition, and further difficulties in model calibration based on limited real-world engineering data. As with the prior challenge, this work not only documents the 'state-of-the-art' in computational failure prediction of ductile tearing scenarios, but also provides a detailed dataset for non-blind assessment of alternative methods.}, language = {en} } @article{NonnKissPezeshkianetal., author = {Nonn, Aida and Kiss, B{\´a}lint and Pezeshkian, Weria and Tancogne-Dejean, Thomas and Cerrone, Albert and Kellermayer, Miklos and Bai, Yuanli and Li, Wei and Wierzbicki, Tomasz}, title = {Inferring mechanical properties of the SARS-CoV-2 virus particle with nano-indentation tests and numerical simulations}, series = {Journal of the mechanical behavior of biomedical materials}, volume = {148}, journal = {Journal of the mechanical behavior of biomedical materials}, publisher = {Elsevier}, issn = {1751-6161}, doi = {10.1016/j.jmbbm.2023.106153}, abstract = {The pandemic caused by the SARS-CoV-2 virus has claimed more than 6.5 million lives worldwide. This global challenge has led to accelerated development of highly effective vaccines tied to their ability to elicit a sustained immune response. While numerous studies have focused primarily on the spike (S) protein, less is known about the interior of the virus. Here we propose a methodology that combines several experimental and simulation techniques to elucidate the internal structure and mechanical properties of the SARS-CoV-2 virus. The mechanical response of the virus was analyzed by nanoindentation tests using a novel flat indenter and evaluated in comparison to a conventional sharp tip indentation. The elastic properties of the viral membrane were estimated by analytical solutions, molecular dynamics (MD) simulations on a membrane patch and by a 3D Finite Element (FE)-beam model of the virion's spike protein and membrane molecular structure. The FE-based inverse engineering approach provided a reasonable reproduction of the mechanical response of the virus from the sharp tip indentation and was successfully verified against the flat tip indentation results. The elastic modulus of the viral membrane was estimated in the range of 7-20 MPa. MD simulations showed that the presence of proteins significantly reduces the fracture strength of the membrane patch. However, FE simulations revealed an overall high fracture strength of the virus, with a mechanical behavior similar to the highly ductile behavior of engineering metallic materials. The failure mechanics of the membrane during sharp tip indentation includes progressive damage combined with localized collapse of the membrane due to severe bending. Furthermore, the results support the hypothesis of a close association of the long membrane proteins (M) with membrane-bound hexagonally packed ribonucleoproteins (RNPs). Beyond improved understanding of coronavirus structure, the present findings offer a knowledge base for the development of novel prevention and treatment methods that are independent of the immune system.}, language = {en} }