Atomistic-based multiscale and molecular dynamics modeling are powerful tools to simulate
the localized strain problems, offering tremendous opportunities to bridge the knowledge …

Rubber nanocomposites are being studied because of their unique characteristics. Fillers
are used in rubbers and elastomers to increase certain qualities for their ultimate uses …

In this paper, the creep deformation mechanisms are investigated in nickel-based single
crystal superalloys. Two-dimensional molecular dynamics (MD) simulations are conducted …

In this paper, the mechanical properties of graphene oxide are obtained using the molecular
dynamics analysis, including the ultimate stress, Young modulus, shear modulus and elastic …

In recent years, numerous partitioned-domain methods have been developed to describe
dislocation behavior at length scales that are usually inaccessible to most classical atomistic …

Lattice models and discrete networks naturally describe mechanical phenomena at the
mesoscale of fibrous materials. A disadvantage of lattice models is their computational cost …

The quasicontinuum (QC) method coarse-grains crystalline atomic ensembles in order to
bridge the scales from individual atoms to the micro-and mesoscales. A crucial cornerstone …

A concurrent atomic-to-continuum multiscale method for finite-temperature simulation with
large-scale parallel computation is developed. Seamless and stable coupling between …

The quasicontinuum (QC) method is a multiscale approach that aims to reduce the
computational cost of discrete lattice computations. The method incorporates small-scale …

The quasicontinuum (QC) method has become a popular technique to bridge the gap
between atomistic and continuum length scales in crystalline solids. In contrast to many …