Related papers: Quasicontinuum Method Extended to Irregular Lattic…
Among the efficient numerical methods based on atomistic models, the quasicontinuum (QC) method, introduced by Tadmor, Ortiz, and Phillips (1996), has attracted growing interest in recent years. Originally, the QC method was developed for…
Lattice networks are indispensable to study heterogeneous materials such as concrete or rock as well as textiles and woven fabrics. Due to the discrete character of lattices, they quickly become computationally intensive. The QuasiContinuum…
Among the efficient numerical methods based on atomistic models, the quasicontinuum (QC) method has attracted growing interest in recent years. The QC method was first developed for crystalline materials with Bravais lattice and was later…
Lattice networks with dissipative interactions are often employed to analyze materials with discrete micro- or meso-structures, or for a description of heterogeneous materials which can be modelled discretely. They are, however,…
Lattice systems and discrete networks with dissipative interactions are successfully employed as meso-scale models of heterogeneous solids. As the application scale generally is much larger than that of the discrete links, physically…
Lattice networks with dissipative interactions can be used to describe the mechanics of discrete meso-structures of materials such as 3D-printed structures and foams. This contribution deals with the crack initiation and propagation in such…
The atomistic-to-continuum (a/c) coupling methods, also known as the quasicontinuum (QC) methods, are a important class of concurrent multisacle methods for modeling and simulating materials with defects. The a/c methods aim to balance the…
The aim of this paper is to present a streamlined and fully three-dimensional version of the quasicontinuum (QC) theory of Tadmor et al. and to analyze its accuracy and convergence characteristics. Specifically, we assess the effect of the…
Predicting the mechanics of large structural networks, such as beam-based architected materials, requires a multiscale computational strategy that preserves information about the discrete structure while being applicable to large assemblies…
Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…
Adaptive quasicontinuum (QC) methods are important methodologies in molecular mechanics for the simulations of materials with defects, intending to achieve the optimal balance of accuracy and efficiency on the fly. In this study, we propose…
The quasi-independent curvilinear coordinate approximation (QUICCA) method [K. N\'emeth and M. Challacombe, J. Chem. Phys. {\bf 121}, 2877, (2004)] is extended to the optimization of crystal structures. We demonstrate that QUICCA is valid…
We study the percolation of a quantum particle on quasicrystal lattices and compare it with the square lattice. For our study, we have considered quasicrystal lattices modelled on the pentagonally symmetric Penrose tiling and the…
The formation and motion of lattice defects such as cracks, dislocations, or grain boundaries, occurs when the lattice configuration loses stability, that is, when an eigenvalue of the Hessian of the lattice energy functional becomes…
There is a class of statistical problems that arises in several contexts, the Lattice QCD problem of particle physics being one that has attracted the most attention. In essence, the problem boils down to the estimation of an infinite…
We present a new approach to extracting continuum quasi distributions from lattice QCD. Quasi distributions are defined by matrix elements of a Wilson-line operator extended in a spatial direction, evaluated between nucleon states at finite…
We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…
We investigate the applicability of Quasi-Monte Carlo methods to Euclidean lattice systems for quantum mechanics in order to improve the asymptotic error behavior of observables for such theories. In most cases the error of an observable…
Lattice systems are effective for modeling heterogeneous materials, but their computational cost is often prohibitive. The QuasiContinuum (QC) method reduces this cost by interpolating the lattice response over a coarse finite-element mesh,…
Quasi-conformal (QC) theory is an important topic in complex analysis, which studies geometric patterns of deformations between shapes. Recently, computational QC geometry has been developed and has made significant contributions to medical…