Searched for: author:"Simone, A."
(1 - 20 of 39)

Pages

document
Goudarzi, M. (author), Dal Corso, F. (author), Bigoni, D. (author), Simone, A. (author)
A dispersion of stiff and thin (‘rigid line’) inclusions (RLIs) in a matrix material may result beneficial for stiffening in the elastic range, but might be detrimental to strength, as material instabilities may be triggered by inclusions when the matrix is brought to a viscoplastic-damaging state. This dual role of RLIs is investigated by...
journal article 2021
document
Zhuo, M. (author), Grazioli, D. (author), Simone, A. (author)
This study presents a three-dimensional computational model to evaluate effective conductivity and capacity of fiber-based battery electrodes. We employ electrodes composed of conductive and active material nanofibers dispersed in an electrolyte matrix. The effective conductivity is calculated by means of an equivalent resistor network model,...
journal article 2020
document
Grazioli, D. (author), Zadin, Vahur (author), Brandell, Daniel (author), Simone, A. (author)
We study the effect of mechanical stresses arising in solid polymer electrolytes (SPEs) on the electrochemical performance of lithium-ion (Li-ion) solid-state batteries. Time-dependent finite element analyses of interdigitated plate cells during a discharge process are performed with a constitutive model that couples ionic conduction within the...
journal article 2019
document
Verners, O. (author), Simone, A. (author)
We report the results of a computational study regarding the mechanical properties of a lithiated Si/SiO2 interface using reactive molecular dynamics. The study is motivated by an intended application of SiO2-coated Si<br/>nanotubes as fibers in structural batteries with a fiber-reinforced composite architecture while serving as anodes....
journal article 2019
document
Grazioli, D. (author), Verners, O. (author), Zadin, Vahur (author), Brandell, Daniel (author), Simone, A. (author)
We analyze the effects of mechanical stresses arising in a solid polymer electrolyte (SPE) on the electrochemical performance of the electrolyte component of a lithium ion battery. The SPE is modeled with a coupled ionic conduction-deformation model that allows to investigate the effect of mechanical stresses induced by the redistribution of...
journal article 2019
document
Ghavamian, F. (author), Simone, A. (author)
FE<sup>2</sup> multiscale simulations of history-dependent materials are accelerated by means of a recurrent neural network (RNN) surrogate for the history-dependent micro level response. We propose a simple strategy to efficiently collect stress–strain data from the micro model, and we modify the RNN model such that it resembles a nonlinear...
journal article 2019
document
Goudarzi, M. (author), Simone, A. (author)
We report numerical evidence for neutrality of thin fibers to a prescribed uniform stress field in a fiber-reinforced composite. Elastic finite element analyses of fiber-reinforced composites are carried out with a conventional fully-resolved model and a novel dimensionally-reduced fiber model.The two modeling approaches are compared in the...
journal article 2019
document
Shabir, Z. (author), Van der Giessen, Erik (author), Duarte, C. Armando (author), Simone, A. (author)
Crack propagation in polycrystalline specimens is studied by means of a generalized finite element method with linear elastic isotropic grains and cohesive grain boundaries. The corresponding mode-I intergranular cracks are characterized using a grain boundary brittleness criterion that depends on cohesive law parameters and average grain...
journal article 2019
document
Verners, O. (author), Lyulin, Alexey V. (author), Simone, A. (author)
This reactive molecular dynamics study explores the salt concentration dependence of the viscoelastic and mechanical failure properties of a poly(propylene glycol)/LiPF<sub>6</sub>-based solid polymer electrolyte (SPE) at a graphitic carbon electrode interface. To account for the finite-size effect of interface-confined SPE films, the...
journal article 2018
document
Vandoren, B.S.L. (author), Simone, A. (author)
Two anisotropic stress-based gradient-enhanced damage models are proposed to address the issue of spurious damage growth typical of continuous standard gradient-enhanced damage models. Both models are based on a decreasing interaction length upon decreasing stresses and do not require additional model parameters or extra degrees of freedom...
journal article 2018
document
Vrieling, Frank (author), Ronacher, Katharina (author), Kleynhans, Léanie (author), van den Akker, E.B. (author), Walzl, Gerhard (author), Ottenhoff, Tom H.M. (author), Joosten, Simone A. (author)
Background: Type 2 diabetes mellitus (DM) is a major risk factor for development of tuberculosis (TB), however the underlying molecular foundations are unclear. Since lipids play a central role in the development of both DM and TB, lipid metabolism may be important for TB-DM pathophysiology. Methods: A <sup>1</sup> H NMR spectroscopy-based...
journal article 2018
document
Malagu, M. (author), Goudarzi, M. (author), Lyulin, Alexey (author), Benvenuti, E (author), Simone, A. (author)
We propose a computational procedure to assess size effects in nonfunctionalized single-walled carbon nanotube (CNT)-polymer composites. The procedure upscales results obtained with atomistic simulations on a composite unit cell with one CNT to an equivalent continuum composite model with a large number of CNTs. Molecular dynamics simulations...
journal article 2017
document
Ghavamian, F. (author), Tiso, P. (author), Simone, A. (author)
We demonstrate a Model Order Reduction technique for a system of nonlinear equations arising from the Finite Element Method (FEM) discretization of the three-dimensional quasistatic equilibrium equation equipped with a Perzyna viscoplasticity constitutive model. The procedure employs the Proper Orthogonal Decomposition-Galerkin (POD-G) in...
journal article 2017
document
Aragon, A.M. (author), Simone, A. (author)
We introduce a new methodology for modeling problems with both weak and strong discontinuities independently of the finite element discretization. At variance with the eXtended/Generalized Finite Element Method (X/GFEM), the new method, named the Discontinuity-Enriched Finite Element Method (DE-FEM), adds enriched degrees of freedom only to...
journal article 2017
document
Verners, O. (author), Thijsse, B.J. (author), van Duin, Adri C.T. (author), Simone, A. (author)
journal article 2016
document
Malagù, Marcello (author), Lyulin, Alexey (author), Benvenuti, Elena (author), Simone, A. (author)
Molecular-dynamics simulations of single-walled carbon nanotubes (CNTs) embedded in a coarse-grained amorphous monodisperse polyethylene-like model system have been carried out. The roles of nanotube diameter and chirality on the physical and structural properties of the composite are thoroughly discussed for several CNTs with different...
journal article 2016
document
Srinivasan, P. (author), Nicola, L. (author), Simone, A. (author)
The influence of grain boundaries and grain misorientation on the nucleation and growth of martensite in an equi-atomic nickeltitanium (NiTi) shape memory alloy (SMA) is investigated by performing molecular dynamics (MD) simulations on bicrystals with a modified embedded atom method (MEAM) interatomic potential. Stress-induced martensitic...
conference paper 2016
document
Verners, O. (author), Van Duin, A.C.T. (author), Wagemaker, M. (author), Simone, A. (author)
A crosslinked polymer based solid electrolyte prototype material –poly(propylene glycol) diacrylate– is studied using the reactive molecular dynamics force field ReaxFF. The focus of the study is the evaluation of the effects of equilibration and added plasticizer (ethylene carbonate) or anion components on Li ion transport properties in the...
conference paper 2015
document
Malagu, M. (author), Benvenuti, E (author), Simone, A. (author)
journal article 2015
document
Lloberas-Valls, O. (author), Everdij, F.P.X. (author), Rixen, D.J. (author), Simone, A. (author), Sluys, L.J. (author)
In this contribution, dual and primal domain decomposition techniques are studied for the multiscale analysis of failure in quasi-brittle materials. The multiscale strategy essentially consists in decomposing the structure into a number of nonoverlapping domains and considering a refined spatial resolution where needed. In multiscale analysis of...
conference paper 2014
Searched for: author:"Simone, A."
(1 - 20 of 39)

Pages