The temperature dependent lattice thermal conductivity (κph) of MAX phases, Mn+1AXn are calculated using the Debye theory as outlined by Slack. At high temperature the formula derived by Slack is a reasonable approximation to estimate the lattice thermal conductivity. The calculation used the large data base of elastic coefficients of stable MAX phases established recently. It is found that MAX phases with A = Al have higher κph at 1300 K, and the majority of MAX carbides have higher κph than MAX nitrides. We have also calculated the minimum thermal conductivities of these MAX phases using the empirical formula suggested by Clarke. It is shown that the minimal lattice thermal conductivities of MAX carbides and nitrides are closer to each ...
<p>The bulk thermal conductivity of Stillinger-Weber (SW) wurtzite GaN in the [0001] direction at a ...
The Green-Kubo relations have been widely utilized in equilibrium molecular dynamics (MD) simulation...
The discovery of novel materials with low thermal conductivity is paramount to improving the efficie...
A new method for estimating the maximum achievable thermal conductivity of non-electrically conducti...
Atomic vibrations weave into the fabric of the materials properties landscape in a diverse multitude...
The Mn+1AXn phases (n=1,2, or 3) or MAX phases , where M is a transition metal, A is an A- group ...
This thesis presents theoretical research on MAX phases (M=transition metal, A=A-group element, X=ca...
In this paper we report on a systematic investigation, in the 5 to 300 K temperature regime, of the ...
Thermal management has become a ‘hot’ field in recent years due to a need to obtain high performance...
In this thesis, phonon transport properties in single crystal and ceramic aluminium nitride (AIN) ha...
Low thermal conductivity materials are crucial for applications such as thermoelectric conversion of...
Thermal conductivity is a key parameter in designing high performance thermoelectric materials. A mu...
An atomic structure-based model for high-temperature lattice conductivity is developed for both comp...
Using first principles, we calculate the lattice thermal conductivity of Bi, Sb, and Bi-Sb alloys, w...
Searching for high thermal conductivity materials to efficiently conduct heat for various applicatio...
<p>The bulk thermal conductivity of Stillinger-Weber (SW) wurtzite GaN in the [0001] direction at a ...
The Green-Kubo relations have been widely utilized in equilibrium molecular dynamics (MD) simulation...
The discovery of novel materials with low thermal conductivity is paramount to improving the efficie...
A new method for estimating the maximum achievable thermal conductivity of non-electrically conducti...
Atomic vibrations weave into the fabric of the materials properties landscape in a diverse multitude...
The Mn+1AXn phases (n=1,2, or 3) or MAX phases , where M is a transition metal, A is an A- group ...
This thesis presents theoretical research on MAX phases (M=transition metal, A=A-group element, X=ca...
In this paper we report on a systematic investigation, in the 5 to 300 K temperature regime, of the ...
Thermal management has become a ‘hot’ field in recent years due to a need to obtain high performance...
In this thesis, phonon transport properties in single crystal and ceramic aluminium nitride (AIN) ha...
Low thermal conductivity materials are crucial for applications such as thermoelectric conversion of...
Thermal conductivity is a key parameter in designing high performance thermoelectric materials. A mu...
An atomic structure-based model for high-temperature lattice conductivity is developed for both comp...
Using first principles, we calculate the lattice thermal conductivity of Bi, Sb, and Bi-Sb alloys, w...
Searching for high thermal conductivity materials to efficiently conduct heat for various applicatio...
<p>The bulk thermal conductivity of Stillinger-Weber (SW) wurtzite GaN in the [0001] direction at a ...
The Green-Kubo relations have been widely utilized in equilibrium molecular dynamics (MD) simulation...
The discovery of novel materials with low thermal conductivity is paramount to improving the efficie...