Influence of size, shape and dimension on glass transition and Kauzmann temperature of silver (Ag) and tantalum (Ta) nanoparticles
Source abstract
Abstract
A simple model is developed for the investigation of size, shape and dimension dependent glass transition temperature (Tg) and Kauzmann temperature (TK) of nanoparticles. The model is based on thermodynamical quantity cohesive energy and is free from fitting parameters and approximations. To check the validity of the model, calculations on the size, shape and dimension dependent glass transition (Tg) and Kauzmann temperature (TK) are performed for silver (Ag) and tantalum (Ta) nanoparticles (NPs) of different shapes. The considered shapes are spherical, tetrahedral, octahedral and icosahedral accompanied with zero-, one- and two-dimensional geometries. Our results reveal that the Tg and TK strongly depend on the size of the nanoparticles. As the size of the NPs decreases, Tg and TK decrease. It is observed that both temperatures follow the trend as (icosahedral, D) > (spherical, D) > (octahedral, D) > (tetrahedral, D) for selected Ag and Ta nanoparticles. However, in terms of dimension, they show the d = 0 < d = 1 < d = 2 trend. The calculated values of glass transition and Kauzmann temperatures for both considered nanoparticles have good agreement with available molecular dynamics (MD) simulation and experimental data.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Material Dynamics and Properties · nanoparticles nucleation surface interactions · Glass properties and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (46)
Show source-provided references
1. Adam G, Gibbs JH (1965) On the temperature dependence of cooperative relaxation properties in glass-forming liquids. J Chem Phys 43:139–14610.1063/1.1696442 ↗
2. Alcoutlabi M, McKenna GB (2005) Effects of confinement on material behaviour at the nanometre size scale J. Phys: Condens Matter 17:461
3. Ao ZM, Zheng WT, Jiang Q (2007) Size effects on the Kauzmann temperature and related thermodynamic parameters of Ag nanoparticles. Nanotechnology 18:255706–25571210.1088/0957-4484/18/25/255706 ↗
4. Attili A, Gallo P, Rovere M (2005) Inherent structures and Kauzmann temperature of confined liquids Phys. Rev E 71:031204
5. Baletto F, Ferrando R, Fortunelli A, Montalenti F, Mottet C (2002) Crossover among structural motifs in transition and noble-metal clusters. J Chem Phys 116:3856–386310.1063/1.1448484 ↗
6. Bhatt P, Pratap A, Jha PK (2012) Study of size-dependent glass transition and Kauzmann temperatures of tin dioxide nanoparticles. J Therm Anal Calorim 110:535–53810.1007/s10973-012-2556-3 ↗
7. Chen X, Mao SS (2007) Titanium dioxide nanomaterials: synthesis, properties, modifications, and applications. Chem Rev 107:2891–295910.1021/cr0500535 ↗
8. Coluzzi B, Parisi G, Verrocchio P (2000) Thermodynamical liquid-glass transition in a Lennard-Jones Binary Mixture. Phys Rev Lett 84:306–30910.1103/PhysRevLett.84.306 ↗
9. Debenedetti PG, Stillinger FH (2001) Supercooled liquids and the glass transition. Nature 410:259–26710.1038/35065704 ↗
10. Guisbiers G (2010) Size-dependent materials properties toward a universal equation Nanoscale Res. Lett. 5:1132–1136
11. Gao W, Zhao M, Jiang Q (2007) A DFT study on electronic structures and catalysis of Ag12O6/Ag(111) for ethylene Epoxidation. J Phys Chem C 111:4042–404610.1021/jp0684729 ↗
12. Gibbs JH, Di Marzio EA (1958) Nature of the glass transition and the glassy state. J Chem Phys 28:373–38310.1063/1.1744141 ↗
13. Guisbiers G, Kazan M, Van Overschelde O, Wautelet M, Pereira S (2008) Mechanical and thermal properties of metallic and semiconductive nanostructures. J Phys Chem C 112:4097–410310.1021/jp077371n ↗
14. Guisbiers G, Wautelet M (2006) Size, shape and stress effects on the melting temperature of nano-polyhedral grains on a substrate. Nanotechnology 17:2008–201110.1088/0957-4484/17/8/036 ↗
15. Jiang Q, Lang XY (2004) Glass transition of low-dimensional polystyrene Macromol. Rapid Commun 25:82510.1002/marc.200300274 ↗
16. Jiang Q, Zhao M, Xu XY (1997) Kauzmann temperature of alloys obtained by different methods. Phil MagB 76:1–1010.1080/01418639708241074 ↗
17. Kauzmann W (1948) The nature of the glassy state and the behaviour of liquids at low temperatures. Chem Rev 43:219–25610.1021/cr60135a002 ↗
18. Khan MM, Nemati A, Rahman ZU, Shah UH, Asgar H, Haider W (2017) Recent advancements in bulk metallic glasses and their applications: a review. Critical Reviews In Solid State and Materials Sciences 43:233–26810.1080/10408436.2017.1358149 ↗
19. Klose G, Fecht HJ (1994) Vitrification close to the Kauzmann point of eutectic Au Pb Sb alloys Mater. Sci. Eng. A 180:77–80
20. Krakoviack V (2005) Liquid-glass transition of a fluid confined in a disordered porous matrix: a mode-coupling theory. Phys Rev Lett 94:065703–06570710.1103/PhysRevLett.94.065703 ↗
21. Kumar G, Desai A, Schroers J (2011) Bulk metallic glass: the smaller the better Adv. Mater. 23:461–476
22. Li YZ, Sun YT, Lu Z, Li MZ, Bai HY, Wang WH (2017) Size effect on dynamics and glass transition in metallic liquids and glasses. J Chem Phys 146:22450210.1063/1.4984977 ↗
23. Lu HM, Li PY, Cao ZH, Meng XK (2009) Size-, Shape-, and Dimensionality-Dependent Melting Temperatures of Nanocrystals. J Phys Chem C 113:7598–760210.1021/jp900314q ↗
24. Luo J, Wang J, Bitzek E, Huang JY, Zhang H, Tong L, Yang Q, Li J, Mao SX (2016) Size-dependent brittle-to-ductile transition in silica glass nanofibers. Nano Lett 16:105–11310.1021/acs.nanolett.5b03070 ↗
25. Mishra S, Jha PK, Pratap A (2012) Study of size-dependent glass transition and Kauzmann temperature of titanium dioxide nanoparticles. J Therm Anal Calorim 107:65–6810.1007/s10973-011-1597-3 ↗
26. Morones J et al (2005) The bactericidal effect of silver nanoparticles. Nanotechnology 16:234610.1088/0957-4484/16/10/059 ↗
27. Nanda KK, Sahu SN, Behera SN (2002) Liquiddrop model for the size-dependent melting of lowdimensional systems, Phys. Rev. A 66, 01320810.1103/PhysRevA.66.013208 ↗
28. Narayanan R, El-Sayed MA (2003) Effect of catalysis on the stability of metallic nanoparticles: Suzuki reaction catalyzed by PVP-palladium nanoparticles. J Am Chem Soc 125:8340–834710.1021/ja035044x ↗
29. Jiang Q, Shi HX, Zhao M (1999) Melting thermodynamics of organic nanocrystals. J Chem Phys 111:510.1063/1.479249 ↗
30. Kumar R, Kumar M (2012) Effect of size on cohesive energy, melting temperature and Debye temperature of nanomaterial. Indian J pure Appl. Phys. 50:329–334
31. Bhatt S, Kumar M (2017) Effect of size and shape on melting and superheating of free standing and embedded nanoparticles. J Phys Chem Solids 106:112–11710.1016/j.jpcs.2017.03.010 ↗
32. Safaei A, Shandiz M, Sanjabi A, Barber S, Z. H. (2008) Modeling the melting temperature of nanoparticles by an analytical approach. J Phys Chem C 112:99–15510.1021/jp0744681 ↗
33. Saslow WS (1988) Scenario for the Vogel-Fulcher “law”. Phys Rev B 37:676–67810.1103/PhysRevB.37.676 ↗
34. Sastry S (2001) The relationship between fragility, configurational entropy and the potential energy landscape of glass-forming liquids. Nature 409:164–16710.1038/35051524 ↗
35. Sastry S, Debenedetti PG, Stillinger FH (1998) Signatures of distinct dynamical regimes in the energy landscape of a glass-forming liquid. Nature 393:554–55710.1038/31189 ↗
36. Scala A, Starr FW, Nave EL, Sciortino F, Stanley HE (2000) Configurational entropy and diffusivity of supercooled water. Nature 406:166–17510.1038/35018034 ↗
37. Seifert G (2004) Nanocluster magic. Nat Mater 3:77–7810.1038/nmat1066 ↗
38. Stillinger FH et al (1999) J Phys Chem B 103:739010.1021/jp983831o ↗
39. Sun J, He LB, Lo YC, Xu T, Bi HC, Sun L, Zhang Z, Mao SX, Li J (2014) Liquid-like pseudo-elasticity of sub-10-nm crystalline silver particles. Nat Mater 13:1007–101210.1038/nmat4105 ↗
40. Tanaka H (2005) Two-order-parameter model of the liquid–glass transition. III. Universal patterns of relaxations in glass-forming liquids. J Non-Cryst Solids 351:3396–341310.1016/j.jnoncrysol.2005.09.010 ↗
41. Qi WH (2005) Size effect on melting temperature of nanosolids. Physica B 368(2005):46–5010.1016/j.physb.2005.06.035 ↗
42. Wang Y et al (2004) Synthesis and phase structure of tantalum nanoparticles. Mater Lett 58:3017–302010.1016/j.matlet.2004.05.031 ↗
43. Yu HB, Luo Y, Samwer K (2013) Ultrastable metallic glass. Adv Mater 25:5904–590810.1002/adma.201302700 ↗
44. Yu HB et al (2015) Suppression of β relaxation in vapor-deposited ultrastable glasses. Phys Rev Lett 115:185501–18550610.1103/PhysRevLett.115.185501 ↗
45. Zhang X et al (2018) Size and shape dependent melting temperature of metallic nanomaterials J. Phys: Condens Matter 31:7
46. Zhong L, Wang J, Sheng H, Zhang Z, Mao SX (2014) Formation of monatomic metallic glasses through ultrafast liquid quenching. Nature 512:177–18010.1038/nature13617 ↗