Publications that used PhonTS

Citations

If you used PhonTS code for your research, please include the following citation:

“Phonon transport simulator (PhonTS)”, A. Chernatynskiy and S. R. Phillpot, Comp. Phys. Comm., 192, 196 (2015), doi:10.1016/j.cpc.2015.01.008.

Our publications that used PhonTS, or its predecessors

Foundation papers:

• “Evaluation of Computational Techniques for Solving the Boltzmann Transport Equation for Lattice Thermal Conductivity Calculations” A. Chernatynskiyand S.R. Phillpot, Phys. Rev. B, 82 134301 (2010), doi:10.1103/PhysRevB.82.134301.
• “Phonon transport simulator (PhonTS)”, A. Chernatynskiy and S. R. Phillpot, Comp. Phys. Comm., 192, 196 (2015), doi:10.1016/j.cpc.2015.01.008.

Analysis of the effect of the coulombic interactions:

• “Lattice Thermal Conductivity in Ionic Solids: Effects of Long Range Interactions” A. Chernatynskiy, J. Turney, A. McGaughey, C.H. Amon and S.R. Phillpot. J. Am. Ceram. Soc., 94, 3523 (2011), doi: 10.1111/j.1551-2916.2011.04743.x

Applications to the classical potentials:

• “Systematic Investigation of the Misorientation- and Temperature-Dependent Kapitza Resistance in CeO2”, A. Chernatynskiy, X.-M. Bai, J. Gan, Int. J. Heat Mass Transfer 99, 461 (2016). doi: 10.1016/j.ijheatmasstransfer.2016.03.105
• “Elastic and thermal properties of hexagonal perovskites”, A. Chernatynskiy, A. Auguste, B. Steele, J.E. Phillpot, R.W. Grimes, and S. R. Phillpot, Comp. Mater. Sci., 122, 139 (2016). doi:10.1016/j.commatsci.2016.05.015
• “Critical assessment of UO2 classical potentials for thermal conductivity calculations” A. Chernatynskiy, C. Flint, S. Sinnott and S. R. Phillpot, J. Mater. Sci., 47, 7693 (2012), doi:10.1007/s10853-011-6230-0.
• “Critical Assessment of Classical Potentials for MgSiO3 Perovskite with Application to Thermal Conductivity Calculations” Y. Chen, A. Chernatynskiy, P.K. Shelling, E. Artacho and S.R. Phillpot, Phys. Earth Planet. Inter., 210, 75 (2012), doi:10.1016/j.pepi.2012.08.002.

Ab initio calculations:

• “Seeing the invisible plasma with transient phonons in cuprous oxide”, L. Frazer, R. D. Schaller, K. B. Chang, A. Chernatynskiy, K. R. Poeppelmeier, Phys. Chem. Chem. Phys. 19, 1151 (2017). doi: 10.1039/C6CP06532E
• “Anharmonic properties in Mg2X (X=C, Si, Ge, Sn, Pb) from first-principles calculations”, A. Chernatynskiy and S. R. Phillpot, Phys. Rev. B 92, 064303 (2015), doi:10.1103/PhysRevB.92.064303.
• “Phonon Lifetime Limited Thermal Conductivity of UO2 by Neutron Scattering and Theory” J. W.L. Pang, W. J.L. Buyers, A. Chernatynskiy, M. D. Lumsden, B. C. Larson and Simon R. Phillpot, Phys. Rev. Lett., 110, 157401 (2013), doi:10.1103/PhysRevLett.110.157401.
• “Phonon Density of States and Anharmonicity of UO2”, J.W.L. Pang, A. Chernatynskiy, B. C. Larson, W.J.L. Buyers, D.L. Abernathy, K.J. McClellan, S.R. Phillpot, Phys. Rev. B 89, 115132 (2014) doi:10.1103/PhysRevB.89.115132.
• “Thermal conductivity of argon at high pressure from first principles calculations” A. Chernatynskiy and S.R. Phillpot, J. App. Phys., 114, 064902 (2013), doi:10.1063/1.4817901.