A continuum–atomistic multi-scale analysis of temperature field problems and its application in phononic nano-structures
Sign Up to like & getrecommendations! Published in 2022 at "Finite Elements in Analysis and Design"
DOI: 10.1016/j.finel.2021.103643
Abstract: Abstract In this paper, a novel coupling technique is developed in continuum–atomistic multi-scale analysis of temperature field problems. In this manner, a new thermostat is introduced based on the single-atom sub-system, where its capability to… read more here.
Keywords: temperature; analysis; multi scale; atomistic multi ... See more keywords
Vibrational analysis of Ag, Cu and Ni nanobeams using a hybrid continuum-atomistic model
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Mechanical Sciences"
DOI: 10.1016/j.ijmecsci.2019.105208
Abstract: Abstract An important issue in the study of the nanostructures behaviors is the surface effects, which increases with the increase of the surface-to-volume ratio. Continuum theories are capable of modeling structures at micro and larger… read more here.
Keywords: vibrational analysis; continuum; atomistic model; model ... See more keywords
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems.
Sign Up to like & getrecommendations! Published in 2023 at "Chemical communications"
DOI: 10.1039/d2cc07079k
Abstract: Molecular spectral signals can be significantly altered by solvent effects. Among the many theoretical approaches to this problem, continuum and atomistic solvation models have emerged as the most effective for properly describing solvent effects on… read more here.
Keywords: computational spectroscopy; spectroscopy; continuum atomistic; spectroscopy solvated ... See more keywords