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Vibrational thermodynamics of materials
B Fultz - Progress in Materials Science, 2010 - Elsevier
The literature on vibrational thermodynamics of materials is reviewed. The emphasis is on
metals and alloys, especially on the progress over the last decade in understanding …
metals and alloys, especially on the progress over the last decade in understanding …
Strongly Anharmonic Phonons and Their Role in Superionic Diffusion and Ultralow Thermal Conductivity of Cu7PSe6
The quest for advanced superionic materials requires understanding their complex atomic
dynamics, but detailed studies of the interplay between lattice vibrations and ionic diffusion …
dynamics, but detailed studies of the interplay between lattice vibrations and ionic diffusion …
Absence of long-range chemical ordering in equimolar FeCoCrNi
Equimolar FeCoCrNi alloys have been the topic of recent research as “high-entropy alloys,”
where the name is derived from the high configurational entropy of mixing for a random solid …
where the name is derived from the high configurational entropy of mixing for a random solid …
[BOG][B] Computational thermodynamics of materials
This unique and comprehensive introduction offers an unrivalled and in-depth
understanding of the computational-based thermodynamic approach and how it can be …
understanding of the computational-based thermodynamic approach and how it can be …
Chemically accurate simulation of a polyatomic molecule-metal surface reaction
Although important to heterogeneous catalysis, the ability to accurately model reactions of
polyatomic molecules with metal surfaces has not kept pace with developments in gas …
polyatomic molecules with metal surfaces has not kept pace with developments in gas …
Heat-conserving three-temperature model for ultrafast demagnetization in nickel
Multireservoir models are widely used for modeling and interpreting ultrafast magnetization
dynamics. Here we introduce an alternative formulation to existing three-temperature …
dynamics. Here we introduce an alternative formulation to existing three-temperature …
Separating the configurational and vibrational entropy contributions in metallic glasses
Glassy materials exist in nature and play a critical role in technology, but key differences
between the glass, liquid and crystalline phases are not well understood. Over several …
between the glass, liquid and crystalline phases are not well understood. Over several …
Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics
The structure and lattice dynamics of rock-salt thermoelectric materials SnTe and PbTe are
investigated with single-crystal and powder neutron diffraction, inelastic neutron scattering …
investigated with single-crystal and powder neutron diffraction, inelastic neutron scattering …
Phonon density of states and heat capacity of
The phonon density of states (DOS) of La 3− x Te 4 compounds (x= 0.0, 0.18, 0.32) was
measured at 300, 520, and 780 K, using inelastic neutron scattering. A significant stiffening …
measured at 300, 520, and 780 K, using inelastic neutron scattering. A significant stiffening …
Lattice dynamics and ultrafast energy flow between electrons, spins, and phonons in a 3d ferromagnet
The ultrafast dynamics of magnetic order in a ferromagnet are governed by the interplay
between electronic, magnetic, and lattice degrees of freedom. In order to obtain a …
between electronic, magnetic, and lattice degrees of freedom. In order to obtain a …