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Gradients, Singularities and Interatomic Potentials

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Part of the The Minerals, Metals & Materials Series book series (MMMS)

Abstract

After a brief review on the ability of continuum gradient elasticity (GradEla) to eliminate singularities from dislocation lines and crack tips, we present an extension to its fractional counterpart by replacing the classical Laplacian in the gradient-enhanced Hooke’s Law by a fractional one. Then, a discussion on implications of fractional gradient elasticity to eliminate stress/strain singularities from a screw dislocation is given, followed by the derivation of the fundamental solution of the governing fractional Helmholtz equation, for addressing more general problems. Finally, an elaboration is provided on using these ideas to revisit interatomic potentials used in materials science simulations.

Keywords

  • Gradient elasticity
  • Interatomic potentials
  • London modification
  • Fractional laplacian

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Fig. 1

Notes

  1. 1.

    The usage of the Caputo fractional derivative \(_0^CD^{\,\alpha }_{k}\) is introduced for convenience as a consequence of the assumed spherical symmetry of the interaction kernel.

References

  1. Aifantis EC (1992) On the role of gradients in the localization of deformation and fracture. Int J Eng Sci 30(10):1279–1299

    CrossRef  Google Scholar 

  2. Aifantis EC (2011) On the gradient approach—relation to Eringen’s nonlocal theory. Int J Eng Sci 49(12):1367–1377

    CrossRef  Google Scholar 

  3. Aifantis EC (2016) Internal length gradient (ILG) material mechanics across scales and disciplines. Adv Appl Mech 49:1–110

    CrossRef  Google Scholar 

  4. Aifantis EC (2020) A concise review of gradient models in mechanics and physics. Front Phys 7:1–8

    CrossRef  Google Scholar 

  5. Ru CQ, Aifantis EC (1993) A simple approach to solve boundary-value problems in gradient elasticity. Acta Mech 101(1–4):59–68

    CrossRef  Google Scholar 

  6. Aifantis EC (2020) Gradient extension of classical material models: from nuclear condensed matter scales to earth & cosmological scales. In: Ghavanloo E, Fazelzadeh SA, Marotti de Sciarra F (eds) Size-dependent continuum mechanics approaches: theory and applications. Springer (in press)

    Google Scholar 

  7. Tarasov VE, Aifantis EC (2014) Toward fractional gradient elasticity. J Mech Behav Mater 23(1–2):41–46

    CrossRef  Google Scholar 

  8. Tarasov VE, Aifantis EC (2015) Non-standard extensions of gradient elasticity: fractional non-locality, memory and fractality. Commun Nonlinear Sci Numer Simul 22(1–3):197–227

    CrossRef  Google Scholar 

  9. Tarasov VE, Aifantis EC (2019) On fractional and fractal formulations of gradient linear and nonlinear elasticity. Acta Mech 230(6):2043–2070

    CrossRef  Google Scholar 

  10. Parisis K, Konstantopoulos I, Aifantis EC (2018) Non-singular solutions of GradEla models for dislocations: an extension to fractional GradEla. J Micromech Mol Phys 03(03n04):1840013

    Google Scholar 

  11. Yu M, Gutkin, Aifantis EC (1996) Screw dislocation in gradient elasticity. Scr Mater 35(11):1353–1358

    Google Scholar 

  12. Yu M, Gutkin, Aifantis EC (1999) Dislocations and disclinations in gradient elasticity. Phys Status Solidi 214(2):245–284

    Google Scholar 

  13. Samko SG, Kilbas AA, Maricev OI (1993) Fractional integrals and derivatives theory and applications. Gordon and Breach, New York

    Google Scholar 

  14. Maricev OI (1982) Handbook of Integral transforms of higher transcendental functions: theory and algorithmic tables. Ellis Horwood, New York

    Google Scholar 

  15. Erdelyi A (1955) Tables of integral transforms I. McGraw-Hill, New York

    Google Scholar 

  16. Aifantis EC Fractional generalizations of gradient mechanics. In: Tarasov VE (ed) Handbook of fractional calculus with applications. De Gruyter, Berlin, Boston

    Google Scholar 

  17. Kilbas AA, Srivastava HM, Trujillo JJ (2006) Theory and applications of fractional differential equations. Elsevier, Amsterdam

    Google Scholar 

  18. Mathai AM, Saxena RK, Haubold HJ (2010) The H-function. Springer, New York, NY

    CrossRef  Google Scholar 

  19. Aifantis EC (2012) A note on gradient elasticity and nonsingular crack fields. J Mech Behav Mater 20(4–6):103–105

    CrossRef  Google Scholar 

  20. Konstantopoulos I, Aifantis EC (2013) Gradient elasticity applied to a crack. J Mech Behav Mater 22(5–6):193–201

    CrossRef  Google Scholar 

  21. Aifantis EC (2014) On non-singular GRADELA crack fields. Theor Appl Mech Lett 4(051005):1–7

    Google Scholar 

  22. Fischbach E (2015) The fifth force: a personal history. Eur Phys J H 40(4–5):385–467

    CrossRef  Google Scholar 

  23. Rowlinson JS (1989) The Yukawa potential. Phys A Stat Mech Appl 156(1):15–34

    CrossRef  Google Scholar 

  24. Gradshteyn IS, Ryzhik IM (2015) Table of integrals, series, and products, 8th ed. Academic Press

    Google Scholar 

  25. Parisis K, Shuang F, Wang B, Hu P, Giannakoudakis A, Konstantinidis A (2020) From gradient elasticity to gradient interatomic potentials: the case-study of gradient London potential. J App Math Phys 8:1826–1837

    Google Scholar 

  26. Israelachvili J (2011) Intermolecular and surface forces, 3rd edn. Elsevier, San Diego

    Google Scholar 

  27. London F (1937) The general theory of molecular forces. Trans Faraday Soc 33:8–26

    CrossRef  CAS  Google Scholar 

  28. Bardhan JP (2013) Gradient models in molecular biophysics: progress, challenges, opportunities. J Mech Behav Mater 22(5–6):169–184

    CrossRef  CAS  Google Scholar 

  29. Tarasov VE, Trujillo JJ (2013) Fractional power-law spatial dispersion in electrodynamics. Ann Phys 334:1–23

    CrossRef  CAS  Google Scholar 

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Acknowledgements

This work was benefited from research interactions with the beneficiaries and partners of the RISE European projects FRAMED no. 734485 (https://cordis.europa.eu/project/rcn/207050/factsheet/en), and ATM2BT no. 824022 (https://cordis.europa.eu/project/rcn/219192/factsheet/en). The work was initiated during a visit of E.C. Aifantis to the University of Florida which was supported in part by FRAMED and in part by the following regional grants of NSRF 2014–2020: MIS 5005134 “Nano-chemomechanics in Deformation and Fracture: Theory and Applications in LIBs and SGS”, and MIS 5005454 “Material Instabilities, Size Effects and Morphogenesis: Nanomaterials and Brain”. An extended version of this work is included in the review [6], whereas the special London’s non-fractional gradient case was discussed in [25]. In fact, the article in [25] was advanced in order to realize the aforementioned research collaboration between Aristotle University (E. C. Aifantis team) and the University of Floride (K. E. Aifantis team).

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Parisis, K., Aifantis, E.C. (2021). Gradients, Singularities and Interatomic Potentials. In: TMS 2021 150th Annual Meeting & Exhibition Supplemental Proceedings. The Minerals, Metals & Materials Series. Springer, Cham. https://doi.org/10.1007/978-3-030-65261-6_71

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