Phonon broadening in high entropy alloys
Refractory high entropy alloys feature outstanding properties making them a promising
materials class for next-generation high-temperature applications. At high temperatures …
materials class for next-generation high-temperature applications. At high temperatures …
Unfolding the complexity of phonon quasi-particle physics in disordered materials
The concept of quasi-particles forms the theoretical basis of our microscopic understanding
of emergent phenomena associated with quantum-mechanical many-body interactions …
of emergent phenomena associated with quantum-mechanical many-body interactions …
Electronic transport and phonon properties of maximally disordered alloys: From binaries to high-entropy alloys
Recent discoveries of multicomponent concentrated solid-solution alloys hold promise for
enhanced properties—such as enhanced mechanical properties, radiation tolerance, high …
enhanced properties—such as enhanced mechanical properties, radiation tolerance, high …
Phonon dispersions in random alloys: a method based on special quasi-random structure force constants
In an attempt to obtain reliable first-principles phonon dispersions of random alloys, we have
developed a method to calculate the dynamical matrix, with respect to the wavevector space …
developed a method to calculate the dynamical matrix, with respect to the wavevector space …
Phonon modes and vibrational entropy of disordered alloys with short-range order: A first-principles calculation
A Alam, RK Chouhan, A Mookerjee - Physical Review B—Condensed Matter …, 2011 - APS
There has been increasing evidence about the effects of short-range order (or local
chemical environment effects) on the lattice dynamics of alloys, which eventually affect the …
chemical environment effects) on the lattice dynamics of alloys, which eventually affect the …
Designing Quaternary and Quinary Refractory-Based High-Entropy Alloys: Statistical Analysis of Their Lattice Distortion, Mechanical, and Thermal Properties
The rapid evolution in materials science has resulted in a significant interest in high-entropy
alloys (HEAs) for their unique properties. This study focuses on understanding both …
alloys (HEAs) for their unique properties. This study focuses on understanding both …
Phonons in magnetically disordered materials: Magnetic versus phononic time scales
The lattice dynamics in magnetic materials, such as Fe depends on the degree of disorder of
the atomic magnetic moments and the time scale of spin fluctuations. Using first-principles …
the atomic magnetic moments and the time scale of spin fluctuations. Using first-principles …
A new first principles approach to calculate phonon spectra of disordered alloys
The lattice dynamics in substitutional disordered alloys with constituents having large size
differences is driven by strong disorder in masses, inter-atomic force constants and local …
differences is driven by strong disorder in masses, inter-atomic force constants and local …
Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys
Gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous
Hall conductivity, and applications in various medical treatments. However, irrespective of …
Hall conductivity, and applications in various medical treatments. However, irrespective of …
Phonon dispersion of binary alloys with auxiliary coherent potential approximation
We report the auxiliary coherent potential approximation (ACPA) for calculating the phonon
dispersion of three-dimensional alloys with both mass and force-constant disorders. To …
dispersion of three-dimensional alloys with both mass and force-constant disorders. To …