References of "Pasetto, Marco"
     in
Bookmark and Share    
Full Text
Peer Reviewed
See detailAtomistically-informed continuum modeling and isogeometric analysis of 2D materials over holey substrates
Choi, Moon-Ki; Pasetto, Marco; Shen, Zhaoxiang UL et al

in Journal of the Mechanics and Physics of Solids (2023), 170

This work develops, discretizes, and validates a continuum model of a molybdenum disulfide (MoS2) monolayer interacting with a periodic holey silicon nitride (Si3N4) substrate via van der Waals (vdW ... [more ▼]

This work develops, discretizes, and validates a continuum model of a molybdenum disulfide (MoS2) monolayer interacting with a periodic holey silicon nitride (Si3N4) substrate via van der Waals (vdW) forces. The MoS2 layer is modeled as a geometrically nonlinear Kirchhoff–Love shell, and vdW forces are modeled by a Lennard-Jones (LJ) potential, simplified using approximations for a smooth substrate topography. Both the shell model and LJ interactions include novel extensions informed by close comparison with fully-atomistic calculations. The material parameters of the shell model are calibrated by comparing small-strain tensile and bending tests with atomistic simulations. This model is efficiently discretized using isogeometric analysis (IGA) for the shell structure and a pseudo-time continuation method for energy minimization. The IGA shell model is validated against fully-atomistic calculations for several benchmark problems with different substrate geometries. Agreement with atomistic results depends on geometric nonlinearity in some cases, but a simple isotropic St.Venant–Kirchhoff model is found to be sufficient to represent material behavior. We find that the IGA discretization of the continuum model has a much lower computational cost than atomistic simulations, and expect that it will enable efficient design space exploration in strain engineering applications. This is demonstrated by studying the dependence of strain and curvature in MoS2 over a holey substrate as a function of the hole spacing on scales inaccessible to atomistic calculations. The results show an unexpected qualitative change in the deformation pattern below a critical hole separation. [less ▲]

Detailed reference viewed: 36 (3 UL)
Full Text
Peer Reviewed
See detailEfficient optimization-based quadrature for variational discretization of nonlocal problems
Pasetto, Marco; Shen, Zhaoxiang UL; D'Elia, Marta et al

in Computer Methods in Applied Mechanics and Engineering (2022), 396

Casting nonlocal problems in variational form and discretizing them with the finite element (FE) method facilitates the use of nonlocal vector calculus to prove well-posedness, convergence, and stability ... [more ▼]

Casting nonlocal problems in variational form and discretizing them with the finite element (FE) method facilitates the use of nonlocal vector calculus to prove well-posedness, convergence, and stability of such schemes. Employing an FE method also facilitates meshing of complicated domain geometries and coupling with FE methods for local problems. However, nonlocal weak problems involve the computation of a double-integral, which is computationally expensive and presents several challenges. In particular, the inner integral of the variational form associated with the stiffness matrix is defined over the intersections of FE mesh elements with a ball of radius δ, where δ is the range of nonlocal interaction. Identifying and parameterizing these intersections is a nontrivial computational geometry problem. In this work, we propose a quadrature technique where the inner integration is performed using quadrature points distributed over the full ball, without regard for how it intersects elements, and weights are computed based on the generalized moving least squares method. Thus, as opposed to all previously employed methods, our technique does not require element-by-element integration and fully circumvents the computation of element–ball intersections. This paper considers one- and two-dimensional implementations of piecewise linear continuous FE approximations, focusing on the case where the element size h and the nonlocal radius δ are proportional, as is typical of practical computations. When boundary conditions are treated carefully and the outer integral of the variational form is computed accurately, the proposed method is asymptotically compatible in the limit of h∼δ→0, featuring at least first-order convergence in L2 for all dimensions, using both uniform and nonuniform grids. Moreover, in the case of uniform grids, the proposed method passes a patch test and, according to numerical evidence, exhibits an optimal, second-order convergence rate. Our numerical tests also indicate that, even for nonuniform grids, second-order convergence can be observed over a substantial pre-asymptotic regime. © 2022 Elsevier B.V. [less ▲]

Detailed reference viewed: 30 (4 UL)