Abstract
This paper is concerned with equilibrium configurations of one-dimensional particle systems with non-convex nearest-neighbour and next-to-nearest-neighbour interactions and its passage to the continuum. The goal is to derive compactness results for a Γ-development of the energy with the novelty that external forces are allowed. In particular, the forces may depend on Lagrangian or Eulerian coordinates and thus may model dead as well as live loads. Our result is based on a new technique for deriving compactness results which are required for calculating the first-order Γ-limit in the presence of external forces: instead of comparing a configuration of n atoms to a global minimizer of the Γ-limit, we compare the configuration to a minimizer in some subclass of functions which in some sense are "close to" the configuration. The paper is complemented with the study of the minimizers of the Γ-limit.
References
- L. Ambrosio, N. Fusco, D. Pallara: Functions of Bounded Variation and Free Discontinuity Problems, Oxford Mathematical Monographs, The Clarendon Press, Oxford University Press, New York (2000).https://doi.org/10.1093/oso/9780198502456.001.0001Google Scholar
- G. Anzellotti, S. Baldo: Asymptotic development by Γ-convergence, Appl. Math. Optim. 27 (1993) 105–123.https://doi.org/10.1007/BF01195977Google Scholar
- A. Braides: Gamma-Convergence for Beginners, Oxford University Press, Oxford (2002).https://doi.org/10.1093/acprof:oso/9780198507840.001.0001Google Scholar
- A. Braides, M. Cicalese: Surface energies in nonconvex discrete systems, Math. Models Meth. Appl. Sci. 17 (2007) 985–1037.https://doi.org/10.1142/S0218202507002182Google Scholar
- A. Braides, G. Dal Maso, A. Garroni: Variational formulation of softening phenomena in fracture mechanics: the one-dimensional case, Arch. Rational Mech. Analysis 146 (1999) 23–58.https://doi.org/10.1007/s002050050135Google Scholar
- A. Braides, M. S. Gelli: Continuum limits of discrete systems without convexity hypotheses, Math. Mech. Solids 7/1 (2002) 41–66.https://doi.org/10.1177/1081286502007001229Google Scholar
- A. Braides, M. S. Gelli: The passage from discrete to continuous variational problems: a nonlinear homogenization process, Nonlinear Homogenization and its Applications to Composites, Polycrystals and Smart Materials (2004) 45–63.https://doi.org/10.1007/1-4020-2623-4_3Google Scholar
- A. Braides, M. S. Gelli: Analytical treatment for the asymptotic analysis of microscopic impenetrability constraints for atomistic systems, ESAIM Math. Model. Numer. Anal. 51/5 (2017) 1903–1929.https://doi.org/10.1051/m2an/2017011Google Scholar
- A. Braides, A. J. Lew, M. Ortiz: Effective cohesive behavior of layers of interatomic planes, Arch. Rational Mech. Analysis 180/2 (2006) 151–182.https://doi.org/10.1007/s00205-005-0399-9Google Scholar
- A. Braides, M. Solci: Asymptotic analysis of Lennard-Jones systems beyond the nearest-neighbour setting: a one-dimensional prototypical case, Math. Mech. Solids 21/8 (2014) 915–930.https://doi.org/10.1177/1081286514544780Google Scholar
- A. Braides, L. Truskinovsky: Asymptotic expansions by Γ-convergence, Continuum Mech. Thermodyn. 20 (2008) 21–62.https://doi.org/10.1007/s00161-008-0072-2Google Scholar
- C. S. Casari, M. Tommasini, R. R. Tykwinski, A. Milani: Carbon-atom wires: 1-D systems with tunable properties, Nanoscale 8/8 (2016) 4414–4435.https://doi.org/10.1039/C5NR06175JGoogle Scholar
- M. Charlotte, L. Truskinovsky: Linear elastic chain with a hyper-pre-stress, J. Mech. Phys. Solids 50/2 (2002) 217–251.https://doi.org/10.1016/S0022-5096(01)00054-0Google Scholar
- M. Charlotte, L. Truskinovsky: Towards multi-scale continuum elasticity theory, Contin. Mech. Thermodyn. 20/3 (2008) 133–161.https://doi.org/10.1007/s00161-008-0075-zGoogle Scholar
- B. Dacorogna: Direct Methods in the Calculus of Variations, 2nd ed., Springer Science+Business Media, Chur (2008).Google Scholar
- M. Friedrich: A derivation of linearized Griffith energies from nonlinear models, Arch. Rational Mech. Analysis 225 (2017) 425–467.https://doi.org/10.1007/s00205-017-1108-1Google Scholar
- M. Friedrich, B. Schmidt: An atomistic-to-continuum analysis of crystal cleavage in a two-dimensional model problem, J. Nonlinear Sci. 24/1 (2014) 145–183.https://doi.org/10.1007/s00332-013-9187-0Google Scholar
- M. Friedrich, B. Schmidt: An analysis of crystal cleavage in the passage from atomistic models to continuum theory, Arch. Rational Mech. Analysis 217/1 (2015) 263–308.https://doi.org/10.1007/s00205-014-0833-yGoogle Scholar
- L. A. Girifalco: Molecular properties of C60 in the gas and solid phases, J. Phys. Chem. 96 (1992) 858–861.https://doi.org/10.1021/j100181a061Google Scholar
- T. Hudson: Gamma-expansion for a 1D confined Lennard-Jones model with point defect, Networks Heterogeneous Media 8 (2013) 501–527.https://doi.org/10.3934/nhm.2013.8.501Google Scholar
- O. Iosifescu, C. Licht, G. Michaille: Variational limit of a one dimensional discrete and statistically homogeneous system of material points, Asymptotic Analysis 28 (2001) 309–329.https://doi.org/10.3233/ASY-2001-470Google Scholar
- S. Jansen, W. König, B. Schmidt, F. Theil: Surface energy and boundary layers for a chain of atoms at low temperature, Arch. Rational Mech. Analysis 239 (2021) 915–980.https://doi.org/10.1007/s00205-020-01587-3Google Scholar
- G. Kitavtsev, S. Luckhaus, A. Rüland: Surface energies emerging in a microscopic, two-dimensional two-well problem, Proc. Royal Soc. Edinburgh A 147/5 (2017) 1041–1089.https://doi.org/10.1017/S0308210516000433Google Scholar
- L. Lauerbach, M. Schäffner, A. Schlömerkemper: On continuum limits of heterogeneous discrete systems modelling cracks in composite materials, GAMM-Mitteilungen 40/3 (2018) 184–206.https://doi.org/10.1002/gamm.201730003Google Scholar
- C. M. Lieber: One-dimensional nanostructures: chemistry, physics and applications, Solid State Comm. 107/11 (1998) 607–616.https://doi.org/10.1016/S0038-1098(98)00209-9Google Scholar
- A. K. Nair, S. W. Cranford, M. J. Buehler: The minimal nanowire: mechanical properties of carbyne, EPL 95 (2011); erratum: EPL 106 (2014), art. no. 39901.https://doi.org/10.1209/0295-5075/95/16002https://doi.org/10.1209/0295-5075/106/39901Google Scholar
- L. Scardia, A. Schlömerkemper, C. Zanini: Boundary layer energies for nonconvex discrete systems, Math. Models Meth. Appl. Sci. 21/4 (2011) 777–817.https://doi.org/10.1142/S0218202511005210Google Scholar
- L. Scardia, A. Schlömerkemper, C. Zanini: Towards uniformly Γ-equivalent theories for nonconvex discrete systems, Discrete Contin. Dyn. Syst. Ser. B 17/2 (2012) 661–686.https://doi.org/10.3934/dcdsb.2012.17.661Google Scholar
- M. Schäffner, A. Schlömerkemper: On Lennard-Jones systems with finite range interactions and their asymptotic analysis, Networks Heterogeneous Media 13/1 (2018) 95–118.https://doi.org/10.3934/nhm.2018005Google Scholar
- T. Wagner, J. Aulbach, J. Schäfer, R. Claessen: Au-induced atomic wires on stepped Ge(hhk) surfaces, Phys. Rev. Materials 2 (2018), art. no. 123402.https://doi.org/10.1103/PhysRevMaterials.2.123402Google Scholar
- J. H. Warner, Y. Ito, M. Zaka, L. Ge, T. Akachi, H. Okimoto, K. Porfyrakis, A. A. R. Watt, H. Shinohara, G. A. D. Briggs: Rotating fullerene chains in carbon nanopeapods, Nano Letters 8 (2008) 2328–2335.https://doi.org/10.1021/nl801149zGoogle Scholar
- C. Zannoni: Molecular design and computer simulations of novel mesophases, J. Mat. Chem. 11 (2001) 2637–2646.https://doi.org/10.1039/b103923gGoogle Scholar
- G. P. Zhang, X. W. Fang, Y. X. Yao, C. Z. Wang, Z. J. Ding, K. J. Ho: Electronic structure and transport of a carbon chain between graphene nanoribbon leads, J. Phys. Condens. Matter 23 (2011), art. no. 025302.https://doi.org/10.1088/0953-8984/23/2/025302Google Scholar
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Published by Heldermann Verlag, 2023. Rights now held by Banach Press.
