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Computer simulations of soft matter: linking the scales
In the last few decades, computer simulations have become a fundamental tool in the field of
soft matter science, allowing researchers to investigate the properties of a large variety of …
soft matter science, allowing researchers to investigate the properties of a large variety of …
Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps
J Guénolé, WG Nöhring, A Vaid, F Houllé, Z ** between atomistic simulations and Eshelby inclusions in the shear deformation of an amorphous silicon model
In this paper we perform quasistatic shear simulations of model amorphous silicon bulk
samples with Stillinger-Weber-type potentials. Local plastic rearrangements identified based …
samples with Stillinger-Weber-type potentials. Local plastic rearrangements identified based …
[LIBRO][B] Multiscale modeling of complex molecular structure and dynamics with MBN explorer
MesoBioNano (MBN) Explorer is a multi-purpose software package for advanced multiscale
simulations of complex molecular structure and dynamics. It has many unique features and a …
simulations of complex molecular structure and dynamics. It has many unique features and a …
Material removal and surface evolution of single crystal silicon during ion beam polishing
H **ao, Y Dai, J Duan, Y Tian, J Li - Applied Surface Science, 2021 - Elsevier
The ion beam polishing techniques for silicon wafers play a key role in the fabrication of
optical element. However, the dynamical ion beam polishing process at nanoscale time and …
optical element. However, the dynamical ion beam polishing process at nanoscale time and …
Uniaxial compression of silicon nanoparticles: an atomistic study on the shape and size effects
Molecular dynamics simulations were carried out to investigate the mechanical properties of
silicon nanoparticles during uniaxial compression by a flat-punch indenter. We considered a …
silicon nanoparticles during uniaxial compression by a flat-punch indenter. We considered a …
Fifty years of amorphous silicon models: the end of the story?
LJ Lewis - Journal of Non-Crystalline Solids, 2022 - Elsevier
Ninety years after Zachariasen introduced the concept of continuous random network to
describe glassy materials and fifty years after Polk presented his celebrated, patiently hand …
describe glassy materials and fifty years after Polk presented his celebrated, patiently hand …