767 citations · 2.8k across the 39 of their papers we have counts for
39 papers
ALATDYN: a set of Anharmonic LATtice DYNamics codes to compute thermodynamic and thermal transport properties of crystalline solids
Keivan Esfarjani, Harold Stokes, Safoura Nayeb Sadeghi +6
We introduce a lattice dynamics package which calculates elastic, thermodynamic and thermal transport properties of crystalline materials from data on their force and potential ene…
Theory of Non-equilibrium Heat transport in anharmonic multiprobe systems at high temperatures
Keivan Esfarjani
We consider the problem of heat transport by vibrational modes (conduction) between Langevin thermostats connected by a central device. The latter is anharmonic and can be subject…
Ultra-high lattice thermal conductivity and the effect of pressure in superhard hexagonal BC2N
Safoura Nayeb Sadeghi, S. Mehdi Vaez Allaei, Mona Zebarjadi +1
Hexagonal BCN is a superhard material recently identified to be comparable to or even harder than cubic boron nitride (c-BN) due the full bonding character and the hig…
The physical and mechanical properties of hafnium orthosilicate: experiments and first-principles calculations
Zhidong Ding, Mackenzie Ridley, Jeroen Deijkers +8
Hafnium orthosilicate (HfSiO4: hafnon) has been proposed as an environmental barrier coating (EBC) material to protect silicon coated, silicon-based ceramic materials at high tempe…
Thermodynamics of anharmonic lattices from first-principles
Keivan Esfarjani, Yuan Liang
Self-consistent phonon (SCP) theory and its application in computing thermodynamic properties of materials are reviewed from a historical perspective. Various more recent implement…
Minimum and maximum conductance of a thin film layer bridged interface: the role of anharmonicity and layer thickness
Jingjie Zhang, Rouzbeh Rastgarkafshgarkolaei, Carlos A. Polanco +4
We study the role of anharmonicity at interfaces with an added intermediate layer designed to facilitate interfacial phonon transport. Our results demonstrate that while in the har…