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Melting and solidification behavior of Cu/Al and Ti/Al bimetallic core/shell nanoparticles during additive manufacturing by molecular dynamics simulation

  • Farzin Rahmani
  • Jungmin Jeon
  • Shan Jiang
  • Sasan Nouranian
Research Paper
  • 239 Downloads

Abstract

Molecular dynamics (MD) simulations were performed to investigate the role of core volume fraction and number of fusing nanoparticles (NPs) on the melting and solidification of Cu/Al and Ti/Al bimetallic core/shell NPs during a superfast heating and slow cooling process, roughly mimicking the conditions of selective laser melting (SLM). One recent trend in the SLM process is the rapid prototyping of nanoscopically heterogeneous alloys, wherein the precious core metal maintains its particulate nature in the final manufactured part. With this potential application in focus, the current work reveals the fundamental role of the interface in the two-stage melting of the core/shell alloy NPs. For a two-NP system, the melting zone gets broader as the core volume fraction increases. This effect is more pronounced for the Ti/Al system than the Cu/Al system because of a larger difference between the melting temperatures of the shell and core metals in the former than the latter. In a larger six-NP system (more nanoscopically heterogeneous), the melting and solidification temperatures of the shell Al roughly coincide, irrespective of the heating or cooling rate, implying that in the SLM process, the part manufacturing time can be reduced due to solidification taking place at higher temperatures. The nanostructure evolution during the cooling of six-NP systems is further investigated.

Graphical abstract

Keywords

Molecular dynamics simulation Selective laser melting Core/shell Nanoparticles Melting Solidification Nanostructure 

Notes

Compliance with ethical standards

Conflict of interest

The authors declare that they have no conflict of interest.

References

  1. Berendsen HJC, van Postma JPM, van Gunsteren WF et al (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81:3684–3690CrossRefGoogle Scholar
  2. Bochicchio D, Ferrando R (2013) Morphological instability of core-shell metallic nanoparticles. Phys Rev B 87:165435CrossRefGoogle Scholar
  3. Bremen S, Meiners W, Diatlov A (2012) Selective laser melting. Laser Tech J 9:33–38CrossRefGoogle Scholar
  4. Cai J, Ye YY (1996) Simple analytical embedded-atom-potential model including a long-range force for fcc metals and their alloys. Phys Rev B 54:8398–8410CrossRefGoogle Scholar
  5. Chaudhuri RG, Paria S (2012) Core/shell nanoparticles: classes, properties, synthesis mechanisms, characterization, and applications. Chem Rev 112:2373–2433CrossRefGoogle Scholar
  6. Cheng X-L, Zhang J-P, Zhang H, Zhao F (2013) Molecular dynamics simulations on the melting, crystallization, and energetic reaction behaviors of Al/Cu core-shell nanoparticles. J Appl Phys 114:84310CrossRefGoogle Scholar
  7. Daw MS, Baskes MI (1984) Embedded-atom method: derivation and application to impurities, surfaces, and other defects in metals. Phys Rev B 29:6443–6453CrossRefGoogle Scholar
  8. Frazier WE (2014) Metal additive manufacturing: a review. J Mater Eng Perform 23:1917–1928CrossRefGoogle Scholar
  9. Grünberger T, Domröse R (2015) Direct metal laser sintering. Laser Tech J 12:45–48CrossRefGoogle Scholar
  10. Gu DD, Meiners W, Wissenbach K, Poprawe R (2012) Laser additive manufacturing of metallic components: materials, processes and mechanisms. Int Mater Rev 57:133–164CrossRefGoogle Scholar
  11. Gu M, Xia X, Li X, Huang X, Chen L (2014) Microstructural evolution of the interfacial layer in the Ti–Al/Yb0. 6Co4Sb12 thermoelectric joints at high temperature. J Alloys Compd 610:665–670CrossRefGoogle Scholar
  12. Herzog D, Seyda V, Wycisk E, Emmelmann C (2016) Additive manufacturing of metals. Acta Mater 117:371–392CrossRefGoogle Scholar
  13. Hirel P (2015) Atomsk: a tool for manipulating and converting atomic data files. Comput Phys Commun 197:212–219CrossRefGoogle Scholar
  14. Huang R, Shao GF, Zeng, XM, Wen, YH (2014) Diverse melting modes and structural collapse of hollow bimetallic core-shell nanoparticles: A perspective from molecular dynamics simulations. Sci Rep 4:7051Google Scholar
  15. Jiang A, Awasthi N, Kolmogorov AN, Setyawan W, Börjesson A, Bolton K, Harutyunyan AR, Curtarolo S (2007) Theoretical study of the thermal behavior of free and alumina-supported Fe-C nanoparticles. Phys Rev B 75:205426CrossRefGoogle Scholar
  16. 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. J Phys D Appl Phys 46:335302CrossRefGoogle Scholar
  17. Joshi AM, Kumar A, Krishnan K, et al (2016) Powders for additive manufacturingGoogle Scholar
  18. Kuntová Z, Rossi G, Ferrando R (2008) Melting of core-shell ag-Ni and ag-co nanoclusters studied via molecular dynamics simulations. Phys Rev B 77:205431CrossRefGoogle Scholar
  19. Langlois C, Li ZL, Yuan J et al (2012) Transition from core–shell to Janus chemical configuration for bimetallic nanoparticles. Nano 4:3381–3388Google Scholar
  20. Lopeandia AF, Rodriguez-Viejo J (2007) Size-dependent melting and supercooling of Ge nanoparticles embedded in a SiO2 thin film. Thermochim Acta 461:82–87CrossRefGoogle Scholar
  21. Naplocha K, Granat K (2009) Microwave activated combustion synthesis of porous Al–Ti structures for composite reinforcing. J Alloys Compd 486:178–184CrossRefGoogle Scholar
  22. Obielodan JO, Ceylan A, Murr LE, Stucker BE (2010) Multi-material bonding in ultrasonic consolidation. Rapid Prototyp J 16:180–188CrossRefGoogle Scholar
  23. Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117:1–19CrossRefGoogle Scholar
  24. Rapallo A, Olmos-Asar JA, Oviedo OA, Ludueña M, Ferrando R, Mariscal MM (2012) Thermal properties of Co/Au nanoalloys and comparison of different computer simulation techniques. J Phys Chem C 116:17210–17218CrossRefGoogle Scholar
  25. Rodrıguez-López JL, Montejano-Carrizales JM, José-Yacamán M (2003) Molecular dynamics study of bimetallic nanoparticles: the case of Au x Cu y alloy clusters. Appl Surf Sci 219:56–63CrossRefGoogle Scholar
  26. Slotwinski JA, Garboczi EJ, Stutzman PE, Ferraris CF, Watson SS, Peltz MA (2014) Characterization of metal powders used for additive manufacturing. J Res Natl Inst Stand Technol 119:460CrossRefGoogle Scholar
  27. Song P, Wen D (2010) Molecular dynamics simulation of a core− shell structured metallic nanoparticle. J Phys Chem C 114:8688–8696CrossRefGoogle Scholar
  28. Sun J, Simon SL (2007) The melting behavior of aluminum nanoparticles. Thermochim Acta 463:32–40CrossRefGoogle Scholar
  29. Takagi M (1954) Electron-diffraction study of liquid-solid transition of thin metal films. J Phys Soc Jpn 9:359–363CrossRefGoogle Scholar
  30. Wang J, Shin S (2017a) Sintering of multiple Cu–Ag core–shell nanoparticles and properties of nanoparticle-sintered structures. RSC Adv 7:21607–21617CrossRefGoogle Scholar
  31. Wang J, Shin S (2017b) Room temperature nanojoining of Cu-Ag core-shell nanoparticles and nanowires. J Nanopart Res 19:53CrossRefGoogle Scholar
  32. Wang J, Shin S, Hu A (2016a) Geometrical effects on sintering dynamics of Cu–Ag core–shell nanoparticles. J Phys Chem C 120:17791–17800CrossRefGoogle Scholar
  33. Wang Y-C, Engelhard MH, Baer DR, Castner DG (2016b) Quantifying the impact of nanoparticle coatings and nonuniformities on XPS analysis: gold/silver core–shell nanoparticles. Anal Chem 88:3917–3925CrossRefGoogle Scholar
  34. Wen Y-H, Huang R, Shao G-F, Sun S-G (2017) Thermal stability of Co–Pt and Co–Au core–shell structured nanoparticles: insights from molecular dynamics simulations. J Phys Chem Lett 8:4273–4278CrossRefGoogle Scholar
  35. Wolcott PJ, Sridharan N, Babu SS, Miriyev A, Frage N, Dapino MJ (2016) Characterisation of Al–Ti dissimilar material joints fabricated using ultrasonic additive manufacturing. Sci Technol Weld Join 21:114–123CrossRefGoogle Scholar
  36. Xiong S, Qi W, Huang B et al (2011) Size-and temperature-induced phase transformations of titanium nanoparticles. EPL Europhys Lett 93:66002CrossRefGoogle Scholar
  37. Xu WF, Liu JH, Chen DL (2011) Material flow and core/multi-shell structures in a friction stir welded aluminum alloy with embedded copper markers. J Alloys Compd 509:8449–8454CrossRefGoogle Scholar
  38. Yang Z, Yang X, Xu Z (2008) Molecular dynamics simulation of the melting behavior of Pt− Au nanoparticles with core− shell structure. J Phys Chem C 112:4937–4947CrossRefGoogle Scholar
  39. Yu X, Li J, Shi T, Cheng C, Liao G, Fan J, Li T, Tang Z (2017) A green approach of synthesizing of Cu-Ag core-shell nanoparticles and their sintering behavior for printed electronics. J Alloys Compd 724:365–372CrossRefGoogle Scholar
  40. Zhang J-P, Zhang Y-Y, Wang E-P, Tang CM, Cheng XL, Zhang QH (2016) Size effect in the melting and freezing behaviors of Al/Ti core-shell nanoparticles using molecular dynamics simulations. Chin Phys B 25:36102CrossRefGoogle Scholar
  41. Zhou XW, Wadley HNG, Johnson RA, Larson DJ, Tabat N, Cerezo A, Petford-Long AK, Smith GDW, Clifton PH, Martens RL, Kelly TF (2001) Atomic scale structure of sputtered metal multilayers. Acta Mater 49:4005–4015CrossRefGoogle Scholar
  42. Zhou XW, Johnson RA, Wadley HNG (2004) Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers. Phys Rev B 69:144113CrossRefGoogle Scholar
  43. Zope RR, Mishin Y (2003) Interatomic potentials for atomistic simulations of the Ti-Al system. Phys Rev B 68:24102CrossRefGoogle Scholar

Copyright information

© Springer Science+Business Media B.V., part of Springer Nature 2018

Authors and Affiliations

  1. 1.Department of Chemical EngineeringUniversity of MississippiUniversityUSA
  2. 2.Department of Mechanical EngineeringUniversity of MississippiUniversityUSA

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