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Keywords = hafnium boride

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15 pages, 2734 KiB  
Article
Engineering the Mechanics and Thermodynamics of Ti3AlC2, Hf3AlC2, Hf3GaC2, (ZrHf)3AlC2, and (ZrHf)4AlN3 MAX Phases via the Ab Initio Method
by Adel Bandar Alruqi
Crystals 2025, 15(1), 87; https://doi.org/10.3390/cryst15010087 - 17 Jan 2025
Cited by 1 | Viewed by 1185
Abstract
When combined with ceramics, ternary carbides, nitrides, and borides form a class of materials known as MAX phases. These materials exhibit a multilayer hexagonal structure and are very strong, damage tolerant, and thermally stable. Further, they have a low thermal expansion and exhibit [...] Read more.
When combined with ceramics, ternary carbides, nitrides, and borides form a class of materials known as MAX phases. These materials exhibit a multilayer hexagonal structure and are very strong, damage tolerant, and thermally stable. Further, they have a low thermal expansion and exhibit outstanding resistance to corrosion and oxidation. However, despite the numerous MAX phases that have been identified, the search for better MAX phases is ongoing, including the recently discovered Zr3InC2 and Hf3InC2. The properties of MAX phases are still being tailored in order to lower their ductility. This study investigated Ti3AlC2 alloyed with nitrogen, gallium, hafnium, and zirconium with the aim of achieving better mechanical and thermal performances. Density functional theory within Quantum Espresso module was used in the computations. The Perdew–Burke–Ernzerhof generalised gradient approximation functionals were utilised. (ZrHf)4AlN3 exhibited an enhanced bulk and Young’s moduli, entropy, specific heat, and melting temperature. The best thermal conductivity was observed in the case of (ZrHf)3AlC2. Further, Ti3AlC2 exhibited the highest shear modulus, Debye temperature, and electrical conductivity. These samples can thus form part of the group of MAX phases that are used in areas wherein the above properties are crucial. These include structural components in aerospace and automotive engineering applications, turbine blades, and heat exchanges. However, the samples need to be synthesised and their properties require verification. Full article
(This article belongs to the Special Issue Modern Technologies in the Manufacturing of Metal Matrix Composites)
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10 pages, 2761 KiB  
Article
Preparation and Characterization of B4C-HfB2 Composites as Material for High-Temperature Thermocouples
by Bing Feng, Hans-Peter Martin and Alexander Michaelis
Crystals 2022, 12(5), 621; https://doi.org/10.3390/cryst12050621 - 27 Apr 2022
Cited by 5 | Viewed by 2675
Abstract
Boron carbide shows high thermoelectric power. Therefore, it is an interesting material for thermoelectric applications. In the past, there were already successful uses of boron carbide as a thermocouple material together with graphite. However, more reliable, cost-efficient, and long-term stable solutions are required [...] Read more.
Boron carbide shows high thermoelectric power. Therefore, it is an interesting material for thermoelectric applications. In the past, there were already successful uses of boron carbide as a thermocouple material together with graphite. However, more reliable, cost-efficient, and long-term stable solutions are required for practical benefit. Boron carbide and hafnium boride composites were prepared by pressureless sintering of B4C and HfC powder mixtures. The effect of HfC addition on the sinterability of boron carbide was studied. Highly densified ceramic with a relative density of 95.4% was obtained at a sintering temperature of 2250 °C. The composition and the microstructure of the dense composites are characterized by means of X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX). In addition, the correlation between the composition, Seebeck coefficient, and the electrical conductivity was investigated. The Seebeck coefficient of the composite is decreased and the electrical conductivity is increased with the increasing addition of HfC, and a change in conduction behavior from semiconducting to a metallic mechanism is observed. Functional thermocouples based on the prepared composites were tested and showed potential for temperature measurement application. Full article
(This article belongs to the Special Issue Advanced Materials and Composites for Thermoelectric Applications)
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