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How to Modify LAMMPS: From the Prospective of a Particle Method Researcher
ChemEngineering, 2021 LAMMPS is a powerful simulator originally developed for molecular dynamics that, today, also accounts for other particle-based algorithms such as DEM, SPH, or Peridynamics.
Xiaocheng Shang +2 more
exaly +3 more sources
SoftwareXScymol is a Python-based software package specifically designed to facilitate the setup and execution of molecular simulations in LAMMPS. It comes equipped with a user-friendly interface, which simplifies the process of initializing molecular systems and
Eli I Assaf
exaly +3 more sources
Variability of structural transformations in bimetallic Cu-Ag nanoalloys
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2022 In this work, bimetallic Cu-Ag nanoparticles of five stoichiometric compositions of various sizes were studied by molecular dynamics method using a many body EAM potential.
N.I. Nepsha +6 more
doaj +1 more source
Wetting and spreading of AgCuTi on Fe substrate at high temperatures: A molecular dynamics study
Journal of Materials Research and Technology, 2023 In this study, the wetting and spreading behavior of AgCuTi ternary alloys on Fe substrate was investigate using a molecular dynamics (MD) modeling method.
Yulong Li +4 more
doaj +1 more source
Molecular dynamics and reaction kinetics analyses of gamma radiation impact on concrete hydration [PDF]
Nuclear Technology and Radiation Protection, 2020 MOPAC and LAMMPS molecular dynamics codes and reaction kinetics code based on multi-ionic continuum-based model are used to analyze the impact of gamma radiation on concrete hydration.
Faure Quentin, Jevremovic Tatjana
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Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2023 Being the first part of a two-part series, published in this issue of the journal, this paper combines a brief overview of theoretical and experimental studies, as well as the results of atomistic simulations of surface melting in bulk bodies and ...
V.M. Samsonov +3 more
doaj +1 more source
Beilstein Journal of Nanotechnology, 2023 The present paper considers a mathematical model describing the time evolution of spin states and magnetic properties of a nanomaterial. We present the results of two variants of nanosystem simulations. In the first variant, cobalt with a structure close
Alexander Vakhrushev +3 more
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Investigating crack growth in two-dimensional plates with openings using the peri-dynamic method [PDF]
Sustainable StructuresAnalyzing and simulating the growth of dynamic cracks in the shell of structures and two-dimensional plates is one of the important topics for providing solutions to prevent crack growth and sudden failures, which increases the lifespan of the structure.
Mohammad Norouzi Shavir +4 more
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Explorer.py: Mapping the energy landscapes of complex materials
SoftwareX, 2021 The energy landscape of a material holds information that describes the thermodynamics and the kinetics of any process, making it valuable to understand a range of important phenomena.
Collin J. Wilkinson, John C. Mauro
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Simulation of collision of dust nanoparticles with graphite wall using LAMMPS code [PDF]
مجله علوم و فنون هستهای, 2021 In the present work, we have simulated the collision of dust nanoparticles with graphite wall using LAMMPS code, based on the molecular dynamics method.
M. Bakhtiyari Ramezani +2 more
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