Applicability Analysis of Molecular Statics simulation for Nano-materials

Autor:	Zhishang Xu, Guannua Li, Enming Miao, Yang Ni, Miao Jichao
Rok vydání:	2014
Předmět:	Molecular dynamics Materials science Field (physics) Molecular statics Modulus Experimental data Research Object Statistical physics Time range Simulation Nanomaterials
Zdroj:	TELKOMNIKA Indonesian Journal of Electrical Engineering. 12
ISSN:	2087-278X 2302-4046
DOI:	10.11591/telkomnika.v12i3.4666
Popis:	Molecular statics can simulate the process without time limitation, while molecular dynamics can only study the motion of system in small time range. Therefore, it’s necessary to give attention and research on the application of molecular statics in engineering materials field. In order to investigate the applicability analysis of molecular statics simulation in nanomaterials scientific research, taking 3D copper monocrystal as the research object,the corresponding molecular statics model was established, the stress-strain data and Young's modulus at the absolute-zero temperature is got.Comparing the result of molecular static simulation with molecular dynamics simulation and the known experimental data, the results show that the model established by molecular statics can explain the mechanical properties of copper monocrystal subjected to tensile loading. DOI : http://dx.doi.org/10.11591/telkomnika.v12i3.4666 Full Text: PDF
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::dfd25e51a0958cf7a0f3c8e6366d8104 https://doi.org/10.11591/telkomnika.v12i3.4666 Zobrazit plný text záznamu