Ultrafast laser melting of Au nanoparticles: atomistic simulations
Source abstract
Abstract
In spite of the technological importance of laser modification and processing of nanoparticles, the interaction of laser energy with nanoparticles is not well understood. In this work, integrated molecular dynamics (MD) and two-temperature (TTM) computational models have been developed to study ultrafast laser interaction with free Au nanoparticles with sizes 2.44–6.14 nm. At low intensity, when surface premelting and solid–liquid phase transition dominate, a nonhomogeneous surface premelting mechanism was identified. The appearance of a contiguous surface liquid layer (complete surface premelting) is size dependent and is not related to surface premelting history. The effects of temporary superheating and stable supercooling of nanoparticles were found and examined.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Laser-Ablation Synthesis of Nanoparticles · nanoparticles nucleation surface interactions · Laser-induced spectroscopy and plasma
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (62)
Show source-provided references
1. Akima H (1996) Algorithm 761: scattered-data surface fitting that has the accuracy of a cubic polynomial. ACM Trans Math Softw 22:362–371. doi: 10.1145/232826.23285610.1145/232826.232856 ↗
2. Anisimov SI, Kapeliovich BL, Perelman TL (1974) Electron emission from metal surfaces exposed to ultrashort laser pulses. Soviet Phys JETP 39:375–377
3. Atanasov PA, Takada H, Nedyalkov NN, Obara M (2007) Nanohole processing on silicon substrate by femtosecond laser pulse with localized surface plasmon polariton. Appl Surf Sci 253:8304–8308. doi: 10.1016/j.apsusc.2007.02.10810.1016/j.apsusc.2007.02.108 ↗
4. Bajaj G, Soni RK (2010) Synthesis of composite gold/tin-oxide nanoparticles by nano-soldering. J Nanopart Res 12:2597–2603. doi: 10.1007/s11051-009-9836-210.1007/s11051-009-9836-2 ↗
5. Baletto F, Ferrando R (2005) Structural properties of nanoclusters: energetic, thermodynamic, and kinetic effects. Rev Mod Phys 77:371–423. doi: 10.1103/RevModPhys.77.37110.1103/RevModPhys.77.371 ↗
6. Buffat PH, Borel JP (1976) Size effect on the melting temperature of gold particles. Phys Rev A 13:2287–2298. doi: 10.1103/PhysRevA.13.228710.1103/PhysRevA.13.2287 ↗
7. Carnevali P, Ercolessi F, Tosatti E (1987) Melting and nonmelting behavior of the Au (111) surface. Phys Rev B 12:6701–6704. doi: 10.1103/PhysRevB.36.670110.1103/PhysRevB.36.6701 ↗
8. Castro T, Reifenberger R, Choi E, Andres RP (1990) Size-dependent melting temperature of individual nanometer-sized metallic clusters. Phys Rev B 42:8548–8556. doi: 10.1103/PhysRevB.42.854810.1103/PhysRevB.42.8548 ↗
9. Chen J, He L, Farson DF, Rokhlin SI (2011) Comparison of simulation and experimental results of femtosecond laser-stimulated electrical discharges in small gaps and anode surface melting. J Phys D 44:115202. doi: 10.1088/0022-3727/44/11/11520210.1088/0022-3727/44/11/115202 ↗
10. Dean JA (1999) Lange’s handbook of chemistry, 15th edn. McGraw-Hill, New York
11. Essam JW (1980) Percolation theory. Rep Prog Phys 43:833–912. doi: 10.1088/0034-4885/43/7/00110.1088/0034-4885/43/7/001 ↗
12. Hartland GV (2006) Coherent excitation of vibrational modes in metallic nanoparticles. Annu Rev Phys Chem 57:403–430. doi: 10.1146/annurev.physchem.57.032905.10453310.1146/annurev.physchem.57.032905.104533 ↗
13. Hirsch LR, Stafford RJ, Bankson JA, Sershen SR, Rivera B, Price RE, Hazle JD, Halas NJ, West JL (2003) Nanoshell-mediated near-infrared thermal therapy of tumors under magnetic resonance guidance. Proc Natl Acad Sci USA 100:13549–13554. doi: 10.1073/pnas.223247910010.1073/pnas.2232479100 ↗
14. Hohlfeld J, Wellershoff SS, Güdde J, Conrad U, Jähnke V, Matthias E (2000) Electron and lattice dynamics following optical excitation of metals. Chem Phys 251:237–258. doi: 10.1016/S0301-0104(99)00330-410.1016/S0301-0104(99)00330-4 ↗
15. Hoover WG (1985) Canonical dynamics: equilibrium phase-space distributions. Phys Rev A 31:1695–1697. doi: 10.1103/PhysRevA.31.169510.1103/PhysRevA.31.1695 ↗
16. Hu M, Hartland GV (2002) Heat dissipation for Au particles in aqueous solution: relaxation time versus size. J Phys Chem B 106:7029–7033. doi: 10.1021/jp020581+10.1021/jp020581+ ↗
17. Huang XH, El-Sayed IH, Qian W, El-Sayed MA (2006) Cancer cell imaging and photothermal therapy in the near-infrared region by using gold nanorods. J Am Chem Soc 128:2115–2120. doi: 10.1021/ja057254a10.1021/ja057254a ↗
18. Hubenthal F, Alschinger M, Bauer M, Sánchez DB, Borg N, Brezeanu M, Frese R, Hendrich C, Krohn B, Aeschlimann M, Träger F (2005) Irradiation of supported gold and silver nanoparticles with continuous-wave, nanosecond, and femtosecond laser light: a comparative study. Proc SPIE 5838:224–235. doi: 10.1117/12.60856010.1117/12.608560 ↗
19. Humphrey W, Dalke A, Schulten K (1996) VMD—visual molecular dynamics. J Mol Graph 14:33–38. doi: 10.1016/0263-7855(96)00018-510.1016/0263-7855(96)00018-5 ↗
20. Ikeda H, Qi Y, Cagin T, Samwer K, Johnson WL, Goddard WA (1999) Strain rate induced amorphization in metallic nanowires. Phys Rev Lett 82:2900–2903. doi: 10.1103/PhysRevLett.82.290010.1103/PhysRevLett.82.2900 ↗
21. Inasawa S, Sugiyama M, Yamaguchi Y (2005) Laser-induced shape transformation of gold nanoparticles below the melting point: the effect of surface melting. J Phys Chem B 109:3104–3111. doi: 10.1021/jp045167j10.1021/jp045167j ↗
22. Ivanov DS, Zhigilei LV (2003) Combined atomistic-continuum modeling of short-pulse laser melting and disintegration of metal films. Phys Rev B 68:064114. doi: 10.1103/PhysRevB.68.06411410.1103/PhysRevB.68.064114 ↗
23. Jiang L, Tsai HL (2005) Improved two-temperature model and its application in ultrashort laser heating of metal films. J Heat Transf Trans ASME 127:1167–1173. doi: 10.1115/1.203511310.1115/1.2035113 ↗
24. José-Yacamán M, Gutierrez-Wing C, Miki M, Yang DQ, Piyakis KN, Sacher E (2005) Surface diffusion and coalescence of mobile metal nanoparticles. J Phys Chem B 109:9703. doi: 10.1021/jp050945910.1021/jp0509459 ↗
25. Kamat PV, Flumiani M, Hartland GV (1998) Picosecond dynamics of silver nanoclusters: photoejection of electrons and fragmentation. J Phys Chem B 102:3123–3128. doi: 10.1021/jp980009b10.1021/jp980009b ↗
26. Kim SJ, Ah CS, Jang DJ (2009) Laser-induced growth and reformation of gold and silver nanoparticles. J Nanopart Res 11:2023–2030. doi: 10.1007/s11051-008-9565-y10.1007/s11051-008-9565-y ↗
27. Lin Z, Zhigilei LV, Celli V (2008) Electron–phonon coupling and electron heat capacity of metals under conditions of strong electron–phonon nonequilibrium. Phys Rev B 77:075133. doi: 10.1103/PhysRevB.77.07513310.1103/PhysRevB.77.075133 ↗
28. Link S, El-Sayed MA (1999) Spectral properties and relaxation dynamics of surface plasmon electronic oscillations in gold and silver nanodots and nanorods. J Phys Chem B 103:8410–8426. doi: 10.1021/jp991764810.1021/jp9917648 ↗
29. Link S, El-Sayed MA (2003) Optical properties and ultrafast dynamics of metallic nanocrystals. Annu Rev Phys Chem 54:331–366. doi: 10.1146/annurev.physchem.54.011002.10375910.1146/annurev.physchem.54.011002.103759 ↗
30. Link S, Burda C, Mohamed MB, Nikoobakht B, El-Sayed MA (1999) Laser photothermal melting and fragmentation of gold nanorods: energy and laser pulse-width dependence. J Phys Chem A 103:1165–1170. doi: 10.1021/jp983141k10.1021/jp983141k ↗
31. Link S, Burda C, Nikoobakht B, El-Sayed MA (2000) Laser-induced shape changes of colloidal gold nanorods using femtosecond and nanosecond laser pulses. J Phys Chem B 104:6152–6163. doi: 10.1021/jp000679t10.1021/jp000679t ↗
32. Lorazo P, Lewis LJ, Meunier M (2006) Thermodynamic pathways to melting, ablation, and solidification in absorbing solids under pulsed laser irradiation. Phys Rev B 73:134108. doi: 10.1103/PhysRevB.73.13410810.1103/PhysRevB.73.134108 ↗
33. Lubashenko VV (2010) Size-dependent melting of nanocrystals: a self-consistent statistical approach. J Nanopart Res 12:1837–1844. doi: 10.1007/s11051-009-9743-610.1007/s11051-009-9743-6 ↗
34. Mafuné F, Kohno J, Takeda Y, Kondow T (2002) Growth of gold clusters into nanoparticles in a solution following laser-induced fragmentation. J Phys Chem B 106:8555–8561. doi: 10.1021/jp020786i10.1021/jp020786i ↗
35. Melchionna S, Ciccotti G, Holian BL (1993) Hoover NPT dynamics for systems varying in shape and size. Mol Phys 78:533–544. doi: 10.1080/0026897930010037110.1080/00268979300100371 ↗
36. Nanda KK, Sahu SN, Behera SN (2002) Liquid-drop model for the size-dependent melting of low-dimensional systems. Phys Rev A 66:013208. doi: 10.1103/PhysRevA.66.01320810.1103/PhysRevA.66.013208 ↗
37. Nichols WT, Malyavanatham G, Henneke DE, O’Brien DT, Becker MF, Keto JW (2002) Bimodal nanoparticle size distributions produced by laser ablation of microparticles in aerosols. J Nanopart Res 4:423–432. doi: 10.1023/A:102164412342810.1023/A:1021644123428 ↗
38. Nosé S (2002) A molecular dynamics method for simulations in the canonical ensemble. Mol Phys 52:191–198. doi: 10.1080/0026897011008910810.1080/00268970110089108 ↗
39. Pan H, Ko SH, Grigoropoulos CP (2008) The coalescence of supported gold nanoparticles induced by nanosecond laser irradiation. Appl Phys A 90:247–253. doi: 10.1007/s00339-007-4320-210.1007/s00339-007-4320-2 ↗
40. Pan LS, Zhang YW, Lee HP (2010) Effects of crystal orientations of the facets on the structural stability of metallic Ni nanorods. J Nanopart Res 12:795–800. doi: 10.1007/s11051-009-9778-810.1007/s11051-009-9778-8 ↗
41. Pawlow P (1909) Melting point dependence on the surface energy of a solid body. Z Phys Chem 65:1–3510.1515/zpch-1909-6502 ↗
42. Petrova H, Juste JP, Pastoriza-Santos I, Hartland GV, Liz-Marzán LM, Mulvaneyc P (2006) On the temperature stability of gold nanorods: comparison between thermal and ultrafast laser-induced heating. Phys Chem Chem Phys 8:814–821. doi: 10.1039/b514644e10.1039/B514644E ↗
43. Plech A, Cerna R, Kotaidis V, Hudert F, Bartels A, Dekorsy T (2007) A surface phase transition of supported gold nanoparticles. Nano Lett 7:1026–1031. doi: 10.1021/nl070187t10.1021/nl070187t ↗
44. Renka RJ, Brown R (1998) Remark on algorithm 761. ACM Trans Math Softw 24:383–385. doi: 10.1145/293686.29368910.1145/293686.293689 ↗
45. Ruan CY, Murooka Y, Raman RK, Murdick RA (2007) Dynamics of size-selected gold nanoparticles studied by ultrafast electron nanocrystallography. Nano Lett 7:1290–1296. doi: 10.1021/nl070269h10.1021/nl070269h ↗
46. Sanner MF, Olson AJ, Spehner JC (1996) Reduced surface: an efficient way to compute molecular surfaces. Biopolymers 38:305–320. doi: 10.1002/(SICI)1097-0282(199603)38:3<305:AID-BIP4>3.0.CO;2-Y10.1002/(SICI)1097-0282(199603)38:3<305::AID-BIP4>3.0.CO;2-Y ↗
47. Schebarchov D, Hendy SC (2006) Superheating and solid–liquid phase coexistence in nanoparticles with nonmelting surfaces. Phys Rev Lett 96:256101. doi: 10.1103/PhysRevLett.96.25610110.1103/PhysRevLett.96.256101 ↗
48. Smith W, Forester TR (1996) DL_POLY_2.0: a general-purpose parallel molecular dynamics simulation package. J Mol Graph 14:136–141. doi: 10.1016/S0263-7855(96)00043-410.1016/S0263-7855(96)00043-4 ↗
49. Stauffer D, Aharony A (1994) Introduction to percolation theory, 2nd edn. Taylor & Francis, London
50. Sun F, Cai W, Li Y, Duan G, Nichols WT, Liang C, Koshizaki N, Fang Q, Boyd IW (2005) Laser morphological manipulation of gold nanoparticles periodically arranged on solid supports. Appl Phys B 81:765–768. doi: 10.1007/s00340-005-1978-z10.1007/s00340-005-1978-z ↗
51. Takami A, Kurita H, Koda S (1999) Laser-induced size reduction of noble metal particles. J Phys Chem B 103:1226–1232. doi: 10.1021/jp983503o10.1021/jp983503o ↗
52. Tenwolde PR, Ruizmontero MJ, Frenkel D (1995) Numerical evidence for bcc ordering at the surface of a critical fcc nucleus. Phys Rev Lett 75:2714–2717. doi: 10.1103/PhysRevLett.75.271410.1103/PhysRevLett.75.2714 ↗
53. Tenwolde PR, Ruizmontero MJ, Frenkel D (1996) Numerical calculation of the rate of crystal nucleation in a Lenard-Jones system at moderate undercooling. J Chem Phys 104:9932–9947. doi: 10.1063/1.47172110.1063/1.471721 ↗
54. Tisi FD, Valtulina A (2000) Remark on algorithm 761: scattered-data surface fitting that has the accuracy of a cubic polynomial. ACM Trans Math Softw 26:46–48. doi: 10.1145/347837.34979510.1145/347837.349795 ↗
55. Torquato S (2002) Random heterogeneous materials: microstructure and macroscopic properties. Springer, New York10.1115/1.1483342 ↗
56. Vallée F (2007) Energy exchange at short time scales: electron–phonon interactions in metals and metallic nanostructures. In: Volz S (ed) Microscale and nanoscale heat transfer. Springer, Berlin, pp 309–332. doi: 10.1007/11767862_12
57. Vardeman CF, Contorti PF, Sprague MM, Gezelter JD (2005) Breathing mode dynamics and elastic properties of gold nanoparticles. J Phys Chem B 109:16695–16699. doi: 10.1021/jp051575r10.1021/jp051575r ↗
58. Wang X (2004) Thermal and thermomechanical phenomena in picosecond laser copper interaction. J Heat Transf 126:355–364. doi: 10.1115/1.172509210.1115/1.1725092 ↗
59. Wang YT, Teitel S, Dellago C (2005) Melting of icosahedral gold nanoclusters from molecular dynamics simulations. J Chem Phys 122:214722. doi: 10.1063/1.191775610.1063/1.1917756 ↗
60. Wang N, Rokhlin SI, Farson DF (2008) Nonhomogeneous surface premelting of Au nanoparticles. Nanotechnology 19:415701. doi: 10.1088/0957-4484/19/41/41570110.1088/0957-4484/19/41/415701 ↗
61. Wiggins SM, Solis J, Afonso CN (2004) Influence of pulse duration on the amorphization of GeSb thin films under ultrashort laser pulses. App Phys Lett 84:4445–4447. doi: 10.1063/1.175906210.1063/1.1759062 ↗
62. Wilson OM, Hu XY, Cahill DG (2002) Colloidal metal particles as probes of nanoscale thermal transport in fluids. Phys Rev B 66:224301. doi: 10.1103/PhysRevB.66.22430110.1103/PhysRevB.66.224301 ↗