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Influence of size, shape and dimension on glass transition and Kauzmann temperature of silver (Ag) and tantalum (Ta) nanoparticles

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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.

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Funding

Authors are thankful to the Science and Engineering Research Board (SERB-SB/S2/CMP-0005/2013) for providing financial assistance.

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Authors and Affiliations

  1. Department of Applied Physics, Faculty of Technology and Engineering, The Maharaja Sayajirao University of Baroda, 390002, Vadodara, India

    Chetna S. Tiwari & Arun Pratap

  2. Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, 390002, Vadodara, India

    Prafulla K. Jha

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  1. Chetna S. Tiwari
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  2. Arun Pratap
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  3. Prafulla K. Jha
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Correspondence to Prafulla K. Jha.

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Tiwari, C.S., Pratap, A. & Jha, P.K. Influence of size, shape and dimension on glass transition and Kauzmann temperature of silver (Ag) and tantalum (Ta) nanoparticles. J Nanopart Res 22, 218 (2020). https://doi.org/10.1007/s11051-020-04955-y

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