Influence of size, shape and dimension on glass transition and Kauzmann temperature of silver (Ag) and tantalum (Ta) nan
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RESEARCH PAPER
Influence of size, shape and dimension on glass transition and Kauzmann temperature of silver (Ag) and tantalum (Ta) nanoparticles Chetna S. Tiwari & Arun Pratap & Prafulla K. Jha
Received: 5 February 2020 / Accepted: 15 July 2020 # Springer Nature B.V. 2020
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 twodimensional 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 C. S. Tiwari : A. Pratap Department of Applied Physics, Faculty of Technology and Engineering, The Maharaja Sayajirao University of Baroda, 390002, Vadodara, India P. K. Jha (*) Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, 390002, Vadodara, India e-mail: [email protected]
molecular dynamics (MD) simulation and experimental data. Keywords Glass transition temperature . Kauzmann temperature . Metal nanoparticles . Shape . Size
Introduction The size effects on materials exhibit unique physical, chemical and mechanical properties and lead to a variety of applications such as catalysis, sensors, photochemistry and optoelectronics [Chen and Mao 2007; Seifert 2004; Narayanan and El-Sayed 2003]. It is observed that reducing the size or dimension of glassy material results into several unusual and useful mechanical behaviours [Zhong et al. 2014; Luo et al. 2016; Sun et al. 2014; Yu et al. 2013; Yu Yu et al. 2015]. Metallic glasses have a significant role in different fields of science due to their applications in small-scale devices, such as nanoelectromechanical systems, biomedical implants, precision microparts, surgical tools and micro machines [Kumar et al. 2011]. The first metallic glass was produced in 1960 by Duwez and coworkers by rapidly cooling a molten alloy of gold and silicon [Khan et al. 2017]. The metallic glasses are broadly classified into two categories: (i) the metal-metalloid glasses and (ii) the metal-metal glasses. One of the emerging classes of metallic glass is monoatomic metallic glass. However, the glassy behaviou
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