TY - JOUR
T1 - Size dependent surface energy of nanoplates
T2 - Molecular dynamics and nanoscale continuum theory correlations
AU - Jamshidian, M.
AU - Dehghani, A.
AU - Talaei, M. S.
AU - Rabczuk, Timon
PY - 2018/1/20
Y1 - 2018/1/20
N2 - A nanoscale gradient continuum theory along with molecular dynamics simulations are employed to investigate the size-dependent surface energy of nanoplates. Molecular dynamics simulations reveal that upon nanoplate thickness reduction, the redistribution of surface energy density along thickness direction causes the decrease of the surface energy of nanoplate free surfaces. Via introducing a calibration benchmark, the length scale model parameter of the gradient continuum theory is methodically determined. The calibrated continuum theory is shown to well predict the size-dependent surface energy and the associated redistribution of surface energy density within nanoplates.
AB - A nanoscale gradient continuum theory along with molecular dynamics simulations are employed to investigate the size-dependent surface energy of nanoplates. Molecular dynamics simulations reveal that upon nanoplate thickness reduction, the redistribution of surface energy density along thickness direction causes the decrease of the surface energy of nanoplate free surfaces. Via introducing a calibration benchmark, the length scale model parameter of the gradient continuum theory is methodically determined. The calibrated continuum theory is shown to well predict the size-dependent surface energy and the associated redistribution of surface energy density within nanoplates.
KW - Continuum theory
KW - Molecular dynamics
KW - Nanoplate
KW - Surface energy
UR - http://www.scopus.com/inward/record.url?scp=85033233926&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85033233926&partnerID=8YFLogxK
U2 - 10.1016/j.physleta.2017.10.047
DO - 10.1016/j.physleta.2017.10.047
M3 - Article
AN - SCOPUS:85033233926
SN - 0375-9601
VL - 382
SP - 61
EP - 65
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
IS - 2-3
ER -