Vai ai contenuti. | Spostati sulla navigazione | Spostati sulla ricerca | Vai al menu | Contatti | Accessibilità

| Crea un account

Gambato, Cristina (2008) Un metodo di accoppiamento tra modelli continui ed atomistici con discussione e applicazioni specifiche. [Tesi di dottorato]

Full text disponibile come:

[img]
Anteprima
Documento PDF
3724Kb

Abstract (inglese)

This thesis describes a detailed study of a bridging domain method for coupling continuum models with molecular models.
The method based on a multiscale approach that belongs to the category defined as "concurrent", allows in particular to simulate the propagation of a wave in the entire domain and to analyze the resulting displacements.
The applications presented consider a number of atoms of the order of thousands in the analysed domain instead of hundreds as it is commonly done in published examples.
The influence of the choice of in shape functions in the continuum discretization is investigated in detail as well as that of the lengths of the overlapping domain.
The thesis includes a review of the principal methods used for coupling continuum models with molecular models.
The aim of this thesis is to give a contribution to simulations which allow to understand how characteristics of materials, at an atomistic scale, can influence the behaviour of structures. This is important in several fields like civil and mechanical engineering, chemical sciences, electronic applications and physics.


Statistiche Download - Aggiungi a RefWorks
Tipo di EPrint:Tesi di dottorato
Relatore:Bernhard, Schrefler
Correlatore:Colombo, Luciano
Dottorato (corsi e scuole):Ciclo 20 > Scuole per il 20simo ciclo > SCIENZE DELL'INGEGNERIA CIVILE E AMBIENTALE > MECCANICA COMPUTAZIONALE E INGEGNERIA STRUTTURALE
Data di deposito della tesi:Gennaio 2008
Anno di Pubblicazione:Gennaio 2008
Parole chiave (italiano / inglese):modelli multiscala, nanoscala, simulazioni atomistiche
Settori scientifico-disciplinari MIUR:Area 08 - Ingegneria civile e Architettura > ICAR/08 Scienza delle costruzioni
Struttura di riferimento:Dipartimenti > Dipartimento di Costruzioni e Trasporti
Codice ID:925
Depositato il:07 Ott 2008
Simple Metadata
Full Metadata
EndNote Format

Bibliografia

I riferimenti della bibliografia possono essere cercati con Cerca la citazione di AIRE, copiando il titolo dell'articolo (o del libro) e la rivista (se presente) nei campi appositi di "Cerca la Citazione di AIRE".
Le url contenute in alcuni riferimenti sono raggiungibili cliccando sul link alla fine della citazione (Vai!) e tramite Google (Ricerca con Google). Il risultato dipende dalla formattazione della citazione.

[1] Luca Bertolini, Fabio Bolzoni, Marina Cabrini, Piero Pedeferri, Tenologia dei materiai ceramici, polimerici e compositi, CittàStudiEdizioni, 2000. Cerca con Google

[2] Autar K.Kaw, Mechanics of Composite materials, CRC Press, 1997. Cerca con Google

[3] Series in Materials Science and Engineering, Metal and Ceramic matrix Composites, Series Editors: B Cantor and M J Goringe, 2004 Cerca con Google

[4] Donald R. Askeland, Pradeep P. Phulè, The Science and Engineering of Materials, Fourth Edition, Brooks/Cole. Cerca con Google

[5] S.P.Xiao, T.Belytschko, A bridging domain method for coupling continua with molecular dynamics, Comput. Methods Appl. Mech. Engrg. 193 (2004) 1645-1669. Cerca con Google

[6] T.Belytschko, S.P.Xiao, Multiscale Analysis with Atomistic/ Continuum for Fracture, Computational Mechanics, WCCM VI in conjunction with APCOM'04,Sept.5-10,2004,Beijing, China Cerca con Google

[7] S.Tang, T.Y.Hou, W.K.Liu, A mathematical framework of the bridging scale method, Int. J. Numer. Meth. Engng 2006, 65:1688-1713 Cerca con Google

[8] S.Zhang, R.Khare, Q.Lu, T.Belytschko, A bridging domain and strain computation method for coupled atomistic-continuum modelling of solids, Int. J. Numer. Engng. 2007, 70:913-933. Cerca con Google

[9] E.B.Tadmor, R.Philips, M.Ortiz, Hierarchical modeling in the mechanics of materials, International Journal of solids and Structures 37 (2000) 379-389. Cerca con Google

[10] E.B.Tadmor, M.Ortiz, R.Philips, Quasicontinuum analysis of defects in solids, Phil.Mag.A, 73 (6) (1996) 1529-63. Cerca con Google

[11] R.E.Miller, E.B.Tadmor, The quasicontinuum method: overview, applications and current directions, J.Comput.-Aided Mater.Des. 9 (3), 203-239, 2002. Cerca con Google

[12] W.A.Curtin, R.E.Miller, Atomistic/Continuum coupling in computational materials scince, Model.Simulat.Mater.Sci.Engrg. 11 (2003) R33-R68. Cerca con Google

[13] J.Knap, M.Ortiz, An analysis of the quasicontinuum method, J.Mech.Phys.Solids 49 (9) (2001) 1899-1923. Cerca con Google

[14] G.J.Wagner, W.K.Liu, Coupling of atomistic and continuum simulations using a bridging scale decomposition, Journal if Computational Physics 190 (2003) 249-274. Cerca con Google

[15] W.K.Liu, E.G.Karpov, S.Zhang, H.S.Park, An introduction to computational nanomechanics and materials, Comput. Methods Appl. Mech. Engrg. 193 (2004) 1529-1578. Cerca con Google

[16] T.Belytschko, S.P.Xiao, Coupling Methods for Continuum Model with Molecular Model, International Journal for Multiscale Computational Engineering, 1(1)115-126, (2003). Cerca con Google

[17] F.Cleri, V.Rosato, Tight-binding potentials for transition metals and alloys, Phys. Rev. B, vol 48, No 4 (1993) Cerca con Google

[18] Ted Belytschko, Wing Kam Liu, Brian Moran, Nonlinear Finite Elements for Continua and Structures, John Wiley & Sons Ltd, 2000. Cerca con Google

[19] M.Arroyo, T.Belytschko, An atomistic-based finite deformation membrane for single layer crystalline films, J.Mech.Phys.Solids, 50 (2002) 1941-1977. Cerca con Google

[20] M.Arroyo, T.Belytschko, A finite deformation membrane based on inter-atomic potentials for the transverse mechanics of nanotubes, Mech.Mater. 35 (2003) 193-215. Cerca con Google

[21] J.Salençon, Handbook of Continuum Mechanics, Springer, 2001. Cerca con Google

[22] L.A.Grifalco, R.A.Lad, Energy of cohesion, compressibility and the potential energy functions of the graphite system, J.Chem.Phys. 25 (1956) 693-697. Cerca con Google

[23] Y.P.Chen, J.D.Lee, Y.J.Lei, L.M.Xiong, A multiscale field theory: Nano/micro materials, Multiscaling in Molecular and Continuum Mechanics: Interaction of Time and Size from Macro to Nano, G.C.Sith,Springer 2007. Cerca con Google

[24] J.Fish, Discrete-to-continuum bridging, Multiscaling in Molecular and Continuum Mechanics: Interaction of Time and Size from Macro to Nano, G.C.Sith,Springer 2007. Cerca con Google

[25] P.C.Gehlen, G.T.Hahn, M.F.Kanninen, Crack extension by bond rupture in a model of bcc iron, Scr.Meter. 6 (1972) 1087-1090. Cerca con Google

[26] P.C.Gehlen, Crack extenion in a model of ?-iron, Scr.Meter. 7 (1973) 1115-1118. Cerca con Google

[27] J.E.Sinclair, The inuence of the interatomic force law and of kinds on the propagation of brittle cracks, Phil.Mag. 31 (1975) 647-671. Cerca con Google

[28] J.Q.Broughton, F.F.Abraham, N.Bernstein, E.Kaxiras, Concurrent coupling of length scales: methodology and applications, Phys.Review B 60 (4) 1999, 2391-2403. Cerca con Google

[29] D.P.Boso, M.Lefik B.A.Schreer, Multiscale analysis of the inuence of the triplet helicoidal geometry on the strain state of a Nb3Sn based strand for iter coils, Cryogenics, 45 (9), 589-605, 2005. Cerca con Google

[30] D.P.Boso, M.Lefik, B.A.Schreer, A multilevel homogenised model for superconducting strand thermomechanics, Cryogenics, 45 (4), 259-271, 2005. Cerca con Google

[31] D.P.Boso, M.Lefik, B.A.Schreer, A 3D beam-to-beam contact Finite Element for coupled electric-mechanical fields, Int.J.Num.Meth.Eng. 64 (13), 1800-1815, 2005. Cerca con Google

[32] M.Lefik, B.A.Schreer, 3D finite element analysis of composite beams with parallel fibres based on the homogenization theory, Computational Mechanics, 14, 1, 2-15 (1994). Cerca con Google

[33] B.A.Schreer, M.Lefik,Multiscale modelling and computational tools for the analysis of superconductiong coils for a thermonuclear fusion device, VII International Conference of Computational Plasticity COMPLAS 2003, E. O~nate and D.R.J.Owen (Eds), CIMNE, Barcellona 2003. Cerca con Google

[34] M.P.Allen, D.J.Tildesley, Computer Simulation of Liquids, Oxford Science Publications, 1990. Cerca con Google

[35] M.Ippolito, G.Fugallo, A.MAttoni and L.Colombo, Fracture in brittle materials: the atomic-scale viewpoint, Strength Fracture and Complexity, 3, 89 (2005). Cerca con Google

[36] C.Kittel, Introduction to Solid State Physics, 5th edition, Springer. Cerca con Google

[37] D.C.Rapaport, The Art of Molecular Dynamics Simulation, second edition, Cambridge University Press, 2004. Cerca con Google

[38] A.Mattoni, L.Colombo, The atomic scale origin of crack resistance in brittle fracture, Physical Review Letters 95 (11), 2005. Cerca con Google

[39] A.Mattoni, L.Colombo, Atomistic study of the interaction between a microcrack and a hard inclusion in ß-SiC, Phys.Rev.B 70, 094108 (2004). Cerca con Google

[40] F.Cleri, V.Rosato, Tight-Binding potentials for transition metals and alloys, Phys.Rev.B, 48,1, 1-july 1993. Cerca con Google

[41] Hrennikoff, A., Solution of Problems in Elasticity by the Frame Work Method, Journal of Applied Mechanics, Vol.8 No. 4, pp. 169-175, Dec. 1941. Cerca con Google

[42] McHenry, D., A lattice Analogy for the Solution of Plane Stress Problems, Journal of Institution of Civil Engineering, Vol. 21, pp 59-82, Dec. 1943. Cerca con Google

[43] William Weaver, Jr., Paul R. Johnston, Structural Dynamics by Finite Elements, Prentice-Hall, Inc., 1987. Cerca con Google

[44] O.C.Zienkiewicz & R.L.Taylor,The Finite Element Method, Vol 1, The Basis, Butterworth-Heinemann, Fifth Edition. Cerca con Google

[45] Leone Corradi dell'Acqua, Meccanica delle Strutture, Vol 1, Il comportamento dei mezzi continui, McGraw-Hill Libri Italia srl, 1992 Cerca con Google

[46] Leone Corradi dell'Acqua, Meccanica delle Strutture, Vol 2, Le teorie strutturali e il metodo degli elementi finiti, McGraw-Hill Libri Italia srl, 1992 Cerca con Google

[47] Alberto Carpinteri, Scienza delle Costruzioni 1, Vol1, Pitagora Editrice Bologna, 1995. Cerca con Google

[48] E.Hinton, D.R.J.Owen, An Introduction to Finite Element Computations, Pineridge Press Limited, Swansea, U.K.,1979. Cerca con Google

[49] D.R.J.Owen, E.Hinton, Finite Element in Plasticity - Theory and Practice, Pineridge Press Limited, Swansea, U.K., 1980. Cerca con Google

[50] Daryl L.Logan, A First Course in the Finite Element Method, Third Edition, Brooks/Cole, 2002 Cerca con Google

[51] Samuel K. Clark, Dynamics of Continuous Elements, Prentice-Hall, Inc., Englewood Cliffs, New Jersey,1972. Cerca con Google

[52] John M.Biggs, Intorduction to Structural Dynamics, McGraw-Hill Book Company, 1964. Cerca con Google

[53] Thomas J.R.Hughes, The Finite Element Method - Linear Static and Dynamic Finite Element Analysis, Dover Publications, Inc., Mineola, New York, 2000. Cerca con Google

[54] N.M.Newmark, A method of Computation for Structural dynamics, Journal of Enginnering Mechanics Division, American Society of Civil Engineers, Vol. 85, No.EM3, 67-94, 1959. Cerca con Google

Download statistics

Solo per lo Staff dell Archivio: Modifica questo record