Useful scars: Physics of the capsids of archaeal viruses
We propose a physical model for the capsids of tailed archaeal viruses as viscoelastic
membranes under tension. The fluidity is generated by thermal motion of scarlike structures …
membranes under tension. The fluidity is generated by thermal motion of scarlike structures …
Accelerated molecular dynamics methods in a massively parallel world
As high-performance computing systems now rely on hardware parallelism for continuous
improvements in performance, the timescales accessible to direct molecular dynamics (MD) …
improvements in performance, the timescales accessible to direct molecular dynamics (MD) …
Hybrid-optimization strategy for the communication of large-scale Kinetic Monte Carlo simulation
B Wu, S Li, Y Zhang, N Nie - Computer Physics Communications, 2017 - Elsevier
Abstract The parallel Kinetic Monte Carlo (KMC) algorithm based on domain decomposition
has been widely used in large-scale physical simulations. However, the communication …
has been widely used in large-scale physical simulations. However, the communication …
Atomistic modeling of radiation-induced disordering and dissolution at a Ni/Ni3Al interface
T Lee, A Caro, MJ Demkowicz - Journal of Materials Research, 2015 - cambridge.org
L12-ordered γ′ precipitates embedded in a fcc γ matrix impart excellent mechanical
properties to nickel-base superalloys. However, these enhanced mechanical properties are …
properties to nickel-base superalloys. However, these enhanced mechanical properties are …
Further development of large-scale atomistic modelling techniques for Fe–Cr alloys
D Terentyev, G Bonny, N Castin, C Domain… - Journal of nuclear …, 2011 - Elsevier
In this paper we review the current status of our efforts to model the Fe–Cr system, which is a
model alloy for high-Cr ferritic–martensitic steels, using large-scale atomistic methods. The …
model alloy for high-Cr ferritic–martensitic steels, using large-scale atomistic methods. The …
Synchronous parallel Kinetic Monte Carlo: Implementation and results for object and lattice approaches
I Martin-Bragado, J Abujas, PL Galindo… - Nuclear Instruments and …, 2015 - Elsevier
An adaptation of the synchronous parallel Kinetic Monte Carlo (spKMC) algorithm
developed by Martinez et al.(2008) to the existing KMC code MMonCa (Martin-Bragado et …
developed by Martinez et al.(2008) to the existing KMC code MMonCa (Martin-Bragado et …
DFT-parameterized object kinetic Monte Carlo simulations of radiation damage
Materials for nuclear applications are subjected to extremely stringent conditions. The
incoming energetic particles create different types of defects in the material that modify the …
incoming energetic particles create different types of defects in the material that modify the …
Crystal-KMC: Parallel software for lattice dynamics Monte Carlo simulation of metal materials
Kinetic Monte Carlo (KMC) is a widely used method for studying the evolution of materials at
the microcosmic level. At present, while there are many simulation software programs based …
the microcosmic level. At present, while there are many simulation software programs based …
Parallel optimization of the crystal-KMC on Tianhe-2
J Li, B Ji, Y Yang, P Wei, J Wu - Tsinghua Science and …, 2020 - ieeexplore.ieee.org
The Kinetic Monte Carlo (KMC) is one of the commonly used methods for simulating
radiation damage of materials. Our team develops a parallel KMC software named Crystal …
radiation damage of materials. Our team develops a parallel KMC software named Crystal …
Parallelization of tau-leap coarse-grained Monte Carlo simulations on GPUs
The Coarse-Grained Monte Carlo (CGMC) method is a multi-scale stochastic mathematical
and simulation framework for spatially distributed systems. CGMC simulations are important …
and simulation framework for spatially distributed systems. CGMC simulations are important …