Research Article
Equations of State Based Modeling of High-Temperature Thermoelastic Properties of Selected Nanomaterials
Issue:
Volume 11, Issue 4, December 2026
Pages:
54-64
Received:
4 September 2026
Accepted:
16 September 2026
Published:
14 October 2026
DOI:
10.11648/j.wjap.20261104.11
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Abstract: Thermal expansion and temperature-dependent elastic properties are important for assessing the stability and performance of nanomaterials in high-temperature applications. The present study investigates the high-temperature thermoelastic properties of selected nanomaterials were investigated using the Murnaghan Equation of State (MEOS) and the Tait Equation of State (TEOS). The normalized volume thermal expansion, bulk modulus, and pressure–volume behavior of Fullerene, 20 nm , nanocrystalline Ag, TiO2, Al, and Cu were evaluated over the temperature range of 300–1000 K. The ambient bulk modulus and its first pressure derivative, obtained from published literature, were used as material-specific parameters for the EOS models. The derived temperature-dependent formulation additionally employs the Anderson–Gruneisen parameter and room-temperature thermal expansion coefficient. The calculated thermal expansion results exhibit excellent agreement with theoretical predictions, demonstrating the validity of the proposed model. The bulk modulus decreases progressively with increasing temperature due to thermal expansion and the weakening of interatomic bonding, Fullerene exhibits the largest temperature-induced variation in bulk modulus, showing the highest temperature sensitivity where as Ni, Ag, TiO2, Al, and Cu show comparatively gradual reductions. Pressure–volume analysis reveals that pressure decreases with increasing volume expansion for all investigated nanomaterials, while TEOS predicts slightly higher tensile pressures than MEOS, particularly at larger volume expansions. Overall, both equations of state successfully describe the thermoelastic response of nanomaterials, and TEOS provides comparatively greater sensitivity for modeling high-temperature behavior. The proposed approach offers a simple, accurate, and computationally efficient method for predicting the thermodynamic and elastic properties of nanomaterials using a limited number of input parameters, making it suitable for the design of materials for high-temperature engineering and nano-device applications. The assumptions regarding temperature-independent reference parameters may, however, limit accuracy at higher temperatures.
Abstract: Thermal expansion and temperature-dependent elastic properties are important for assessing the stability and performance of nanomaterials in high-temperature applications. The present study investigates the high-temperature thermoelastic properties of selected nanomaterials were investigated using the Murnaghan Equation of State (MEOS) and the Tait...
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,
Om Prakash Gupta
