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Molecular Dynamics Simulation Study of Neck Growth in Micro-selective Laser Sintering of Copper Nanoparticles

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Simulations for Design and Manufacturing

Part of the book series: Lecture Notes on Multidisciplinary Industrial Engineering ((LNMUINEN))

Abstract

Selective laser sintering of submicron size powder known as micro-sintering is emerging as advanced solution for producing micro-mesoscale products with minimum porosity and the features smaller than 500 µm. In the present chapter, molecular dynamics (MD) based simulation study is proposed to understand laser–metal interaction during selective laser sintering of nanoparticles. In this chapter, neck formation mechanism during selective laser sintering (SLS) of two spherical ultrafine copper powder of 1.82 nm (nm) diameter has been studied. Further, sintering mechanism has been modelled as deformation of nanoparticles which are elastic as well as plastic in nature which is mainly caused due to interatomic or intermolecular potentials. MD simulation-based virtual experiments have been conducted using three pairs of identical spherical copper nanoparticles of diameter 1, 2 and 3 nm to establish relations between laser power, irradiation time with the size of neck growth. In this chapter, thermo-mechanical mechanism of laser sintering of copper nanoparticles has been studied employing MD Simulations. MD simulations are conducted using Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) (LAMMPS MD Simulator. http://lammps.sandia.gov/index.html in [1]).

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Abbreviations

F :

Resultant force

m :

Mass of atom

a or \( \ddot{r} \):

Acceleration of the atom

v or \( \dot{r} \):

Velocity of atom

\( \dddot r \) and \( \ddddot r \):

Third-order and fourth-order derivative of position w.r.t. time

t :

Time

i, j and k:

Position of atom

r ij :

Interatomic centre distance of atom i and j

\( \phi \) :

Potential between atom i and j

ɛ :

LJ well depth parameter

σ:

Interatomic distance at which interatomic potential is zero

E :

Energy

U :

Embedding energy

ρ i :

Total density of electron at atom i due to the neighbouring atoms of the atom i in the system

D e :

Potential well depth in Morse potential

α :

Constant determined from the physical properties of material

A and B:

Empirically determined range and softness parameters of the material

A′, B′, \( \lambda_{1} ,\,\lambda_{2} ,\,\lambda_{3} \), \( \alpha ,\,\beta , \) n, c, d, h:

Fitting parameters of the Tersoff potential

N :

Number of atoms

V :

Volume

T :

Temperature

P :

Pressure

D1:

Diameter of spherical particle

ρ :

Radius of curvature of neck

x :

Radius of disc of contact of two particles

References

  1. LAMMPS MD Simulator. http://lammps.sandia.gov/index.html.

  2. German, R. M. (2013). History of sintering: Empirical phase. Powder Metallurgy, 56, 117–123.

    Article  Google Scholar 

  3. Li, L., Hong, M., Schmidt, M., Zhong, M., Malshe, A., Huis, B., et al. (2011). Laser nano-manufacturing—State of the art and challenges. CIRP Annals–Manufacturing Technology, 60, 735–755.

    Article  Google Scholar 

  4. Ko, S. H., Pan, H., Grigoropoulos, C. P., Luscombe, C. K., Fréchet, J. M. J., & Poulikakos, D. (2007). All-inkjet-printed flexible electronics fabrication on a polymer substrate by low-temperature high-resolution selective laser sintering of metal nanoparticles. Nanotechnology, 18, 345202.

    Article  Google Scholar 

  5. Regenfuss, P., Streek, A., Hartwig, L., Klötzer, S., Brabant, T., Horn, M., et al. (2007). Principles of laser micro sintering. Rapid Prototyping Journal, 13, 204–212.

    Article  Google Scholar 

  6. Regenfuß, P., Ebert, R., & Exner, H. (2007). Laser micro sintering—A versatile instrument for the generation of microparts. Laser Technik Journal, 4, 26–31.

    Article  Google Scholar 

  7. Daw, M. S., & Baskes, M. I. (1984). Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals. Physical Review B, 29, 6443–6453.

    Article  Google Scholar 

  8. Richardson, C. F., & Clancy, P. (1991). Picosecond laser processing of copper and gold: A computer simulation study. Molecular Simulation, 7, 335–355.

    Article  Google Scholar 

  9. Pan, H., Ko, S. H., & Grigoropoulos, C. P. (2008). The solid-state neck growth mechanisms in low energy laser sintering of gold nanoparticles: A molecular dynamics simulation study. Journal of Heat Transfer, 130, 092404.

    Article  Google Scholar 

  10. Johnson, D. L. (1969). New method of obtaining volume, grain-boundary, and surface diffusion coefficients from sintering data. Journal of Applied Physics, 40, 192–200.

    Article  Google Scholar 

  11. Yang, L., Gan, Y., Zhang, Y., & Chen, J. (2012). Molecular dynamics simulation of neck growth in laser sintering of different-sized gold nanoparticles under different heating rates. Applied Physics A, 106, 725–735.

    Article  Google Scholar 

  12. Jiang, S., Zhang, Y., Gan, Y., Chen, Z., & Peng, H. (2013). Molecular dynamics study of neck growth in laser sintering of hollow silver nanoparticles with different heating rates. Journal of Physics. D. Applied Physics, 46, 335302.

    Article  Google Scholar 

  13. Kathuria, Y. (1999). Microstructuring by selective laser sintering of metallic powder. Surface & Coatings Technology, 116, 643–647.

    Article  Google Scholar 

  14. Dai, C., Zhu, H., Ke, L., Lei, W., & Chen, B. (2011). Development a Cu-based metal powder for selective laser micro sintering. Journal of Physics: Conference Series, 012016.

    Google Scholar 

  15. Ristic, M. (1975). Science of sintering and its future.

    Google Scholar 

  16. Ristić, M. M., & Milosević, S. (2006). Frenkel’s theory of sintering. Science of Sintering, 38, 7–11.

    Article  Google Scholar 

  17. Oluwajobi, A. (2012). Molecular dynamics simulation of nanoscale machining, in molecular dynamics. In P.L. Wang (Ed.), Studies of synthetic and biological macromolecules. InTech.

    Google Scholar 

  18. Johnson, J. K., Zollweg, J. A., & Gubbins, K. E. (1993). The Lennard-Jones equation of state revisited. Molecular Physics, 78, 591–618.

    Article  Google Scholar 

  19. Foiles, S., Baskes, M., & Daw, M. (1986). Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Physical Review B, 33, 7983.

    Article  Google Scholar 

  20. Bonny, G., Pasianot, R. C., & Malerba, L. (2009). Fe–Ni many-body potential for metallurgical applications. Modelling and Simulation in Materials Science and Engineering, 17.

    Article  Google Scholar 

  21. Frenkel, D., & Smit, B. (2002). Understanding molecular simulation: From algorithms to applications (vol. 1, pp. 1–638). Amsterdam: Elsevier (formerly published by Academic Press).

    Chapter  Google Scholar 

  22. Morse, P. M. (1929). Diatomic molecules according to the wave mechanics. II. Vibrational levels. Physical Review, 34, 57–64.

    Article  Google Scholar 

  23. Lim, T.-C. (2003). The relationship between Lennard-Jones (12-6) and Morse potential functions. Zeitschrift für Naturforschung A, 58, 615–617.

    Article  Google Scholar 

  24. Tersoff, J. (1988). Empirical interatomic potential for silicon with improved elastic properties. Physical Review B, 38, 9902–9905.

    Article  Google Scholar 

  25. Verlet, L. (1967). Computer “experiments” on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules. Physical Review, 159, 98–103.

    Article  Google Scholar 

  26. LAMMPS-ICMS User’s Manual. (2016). http://lammps.sandia.gov.

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Acknowledgements

This work is supported under CSIR Network projects NWP-30 and ESC0112 at CSIR-Central Mechanical Engineering Research Institute (CSIR-CMERI), Durgapur, India.

Author information

Authors and Affiliations

  1. Mechanical Engineering Department, Asansol Engineering College, Asansol, India

    Srijan Paul

  2. Micro Systems Technology Lab, CSIR-Central Mechanical Engineering Research Institute, Durgapur, India

    Nagahanumaiah

  3. Production Engineering Department, Jadavpur University, Kolkata, India

    Souren Mitra

  4. Mechanical Engineering Department, NSHM Knowledge Campus, Durgapur Group of Institutions, Durgapur, India

    Debabrata Roy

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  1. Srijan Paul
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Correspondence to Srijan Paul .

Editor information

Editors and Affiliations

  1. Department of Mechanical Engineering, Indian Institute of Technology Guwahati, Guwahati, Assam, India

    Uday S. Dixit

  2. Indian Institute of Technology Ropar, Rupnagar, Punjab, India

    Ravi Kant

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Paul, S., Nagahanumaiah, Mitra, S., Roy, D. (2018). Molecular Dynamics Simulation Study of Neck Growth in Micro-selective Laser Sintering of Copper Nanoparticles. In: Dixit, U., Kant, R. (eds) Simulations for Design and Manufacturing. Lecture Notes on Multidisciplinary Industrial Engineering. Springer, Singapore. https://doi.org/10.1007/978-981-10-8518-5_10

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  • DOI: https://doi.org/10.1007/978-981-10-8518-5_10

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  • Print ISBN: 978-981-10-8517-8

  • Online ISBN: 978-981-10-8518-5

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