eprintid: 7275
rev_number: 2
eprint_status: archive
userid: 1
dir: disk0/00/00/72/75
datestamp: 2023-11-09 16:19:05
lastmod: 2023-11-09 16:19:05
status_changed: 2023-11-09 16:08:56
type: article
metadata_visibility: show
creators_name: Awang, M.
creators_name: Mohammadpour, E.
creators_name: Muhammad, I.D.
title: Interatomic Bonding
ispublished: pub
keywords: Molecular physics; Nanotechnology; Potential energy functions; Quantum theory, Atomic coordinate; Computing platform; Inter-atomic bonding; Interatomic potential; Intramolecular bonds; Many body; Molecular mechanic study; Nanoscale science; Short range interactions; Total interaction energy, Atoms
note: cited By 0
abstract: In computational nanoscale science, we deal with many body nanostructures of all types composed of N atoms or molecules. The value of N can range from several hundred to several billions. To handle the energetics of these structures computationally, the most efficient way is to express the total interaction energies in these systems in terms of interatomic potentials that are functions of the atomic coordinates. The reason is that, even with the high-performing computing platforms and sophisticated simulation techniques available today, the existing quantum mechanical-based, or ab initio, strategies can handle nanoscale systems composed of, at most, a few hundred atoms. Interatomic potential energy functions will, therefore, be indispensable in modeling and simulation studies for a long time to come. © 2016, Springer International Publishing Switzerland.
date: 2016
publisher: Springer Science and Business Media B.V.
official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85126700113&doi=10.1007%2f978-3-319-03197-2_2&partnerID=40&md5=b2f0d8cb168486126a59f7dc0ee9fdca
id_number: 10.1007/978-3-319-03197-2₂
full_text_status: none
publication: Engineering Materials
pagerange: 15-25
refereed: TRUE
issn: 16121317
citation:   Awang, M. and Mohammadpour, E. and Muhammad, I.D.  (2016) Interatomic Bonding.  Engineering Materials.  pp. 15-25.  ISSN 16121317