TY - JOUR
T1 - Atomistic Studies of surface adhesions using molecular dynamics simulations
AU - Yong, Chin
AU - Kendall, Kevin
AU - Smith, WR
PY - 2004/1/1
Y1 - 2004/1/1
N2 - The existing theoretical descriptions of continuum surface adhesions, such as the JKR (Johnson-Kendall-Roberts) model, have been very useful for the interpretation of particle contacts of sizes down to micrometre length-scales. However, the continuum model is expected to fail at atomic length-scales, where discrete atomistic interactions become significant. The crossover length-scales at which the macroscopic phenomena begin to manifest themselves, and how they occur, are equally baffling and remain poorly understood. This paper explores the issue of atomistic surface contacts between two ionic bodies made of similar materials, such as MgO and NaCl. using molecular dynamics. A range of surface phenomenological behaviour has beer, identified, from simple fracture to plastic dislocation and neck formation, which are not predicted in continuum models. In addition, the influences of body structure with respect to surface contacts will also be discussed briefly.
AB - The existing theoretical descriptions of continuum surface adhesions, such as the JKR (Johnson-Kendall-Roberts) model, have been very useful for the interpretation of particle contacts of sizes down to micrometre length-scales. However, the continuum model is expected to fail at atomic length-scales, where discrete atomistic interactions become significant. The crossover length-scales at which the macroscopic phenomena begin to manifest themselves, and how they occur, are equally baffling and remain poorly understood. This paper explores the issue of atomistic surface contacts between two ionic bodies made of similar materials, such as MgO and NaCl. using molecular dynamics. A range of surface phenomenological behaviour has beer, identified, from simple fracture to plastic dislocation and neck formation, which are not predicted in continuum models. In addition, the influences of body structure with respect to surface contacts will also be discussed briefly.
KW - MgO
KW - surface adhesion
KW - JKR model
KW - fracture mechanics
KW - NaCl
KW - molecular dynamics
UR - http://www.scopus.com/inward/record.url?scp=4544365479&partnerID=8YFLogxK
U2 - 10.1098/rsta.2004.1423
DO - 10.1098/rsta.2004.1423
M3 - Article
SN - 1471-2962
VL - A362
SP - 1915
EP - 1929
JO - Philosophical Transactions of The Royal Society A Mathematical Physical and Engineering Sciences
JF - Philosophical Transactions of The Royal Society A Mathematical Physical and Engineering Sciences
ER -