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HABIBI, S. E., FARID, M., KADIVAR, M. H. KADIVAR, MAHZOON, M. MAHZOON. (1394). AN EXTENDED CONTINUUM MECHANICS FORMULATION ENHANCED BY DIRECT COUPLING WITH MOLECULAR DYNAMICS. , 39(M1), 1-14. doi: 10.22099/ijstm.2015.2944
S. E. HABIBI; M. FARID; M. H. KADIVAR KADIVAR; M. MAHZOON MAHZOON. "AN EXTENDED CONTINUUM MECHANICS FORMULATION ENHANCED BY DIRECT COUPLING WITH MOLECULAR DYNAMICS". , 39, M1, 1394, 1-14. doi: 10.22099/ijstm.2015.2944
HABIBI, S. E., FARID, M., KADIVAR, M. H. KADIVAR, MAHZOON, M. MAHZOON. (1394). 'AN EXTENDED CONTINUUM MECHANICS FORMULATION ENHANCED BY DIRECT COUPLING WITH MOLECULAR DYNAMICS', , 39(M1), pp. 1-14. doi: 10.22099/ijstm.2015.2944
HABIBI, S. E., FARID, M., KADIVAR, M. H. KADIVAR, MAHZOON, M. MAHZOON. AN EXTENDED CONTINUUM MECHANICS FORMULATION ENHANCED BY DIRECT COUPLING WITH MOLECULAR DYNAMICS. , 1394; 39(M1): 1-14. doi: 10.22099/ijstm.2015.2944

AN EXTENDED CONTINUUM MECHANICS FORMULATION ENHANCED BY DIRECT COUPLING WITH MOLECULAR DYNAMICS

Iranian Journal of Science and Technology Transactions of Mechanical Engineering
مقاله 1، دوره 39، M1، تیر 2015، صفحه 1-14    اصل مقاله (713.55 K)
نوع مقاله: Research Paper
شناسه دیجیتال (DOI): 10.22099/ijstm.2015.2944
نویسندگان
S. E. HABIBI* 1؛ M. FARID2؛ M. H. KADIVAR KADIVAR2؛ M. MAHZOON MAHZOON2
1Dept. of Mechanical Engineering, Persian Gulf University, Bushehr, I. R. of Iran
2School of Mechanical Engineering, College of Engineering, Shiraz University, Shiraz, I. R. of Iran
چکیده
Based on the notion of micro-structure in linear elasticity presented by Mindlin, a new
extended continuum mechanics (ECM) formulation is derived which can be utilized to model the
material behavior at atomic scale. An attempt has been made to present a formulation capable of
producing the molecular dynamics (MD) simulation results with less computational effort. To this
end, some new kinematical variables are defined and some constitutive relations are obtained from
MD. To validate the proposed ECM formulation, it is applied to a properly defined sample
problem and the response is compared with the MD simulation result and the classical continuum
mechanics (CCM) solution.
کلیدواژه‌ها
Extended continuum mechanics (ECM)؛ generalized continua؛ molecular dynamics؛ nanomechanics؛ dipolar continuum mechanics
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