[HTML][HTML] Ab initio phase stabilities and mechanical properties of multicomponent alloys: A comprehensive review for high entropy alloys and compositionally complex …
Multicomponent alloys with multiple principal elements including high entropy alloys (HEAs)
and compositionally complex alloys (CCAs) are attracting rapidly growing attention. The …
and compositionally complex alloys (CCAs) are attracting rapidly growing attention. The …
Review on thermal transport and lattice dynamics of high-entropy alloys containing Ni
High-entropy alloys (HEAs) including Ni and other 3d transition metals present a unique
class of materials characterized by single phase solid solutions in face-centered cubic …
class of materials characterized by single phase solid solutions in face-centered cubic …
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 …
Elemental excitations in MoI3 one-dimensional van der Waals nanowires
We report the polarization-dependent Raman spectra of exfoliated MoI 3, a van der Waals
material with a “true one-dimensional” crystal structure that can be exfoliated to individual …
material with a “true one-dimensional” crystal structure that can be exfoliated to individual …
Ab initio vibrational free energies including anharmonicity for multicomponent alloys
The unique and unanticipated properties of multiple principal component alloys have
reinvigorated the field of alloy design and drawn strong interest across scientific disciplines …
reinvigorated the field of alloy design and drawn strong interest across scientific disciplines …
Impact of interstitial C on phase stability and stacking-fault energy of the CrMnFeCoNi high-entropy alloy
Interstitial alloying in CrMnFeCoNi-based high-entropy alloys is known to modify their
mechanical properties. Specifically, strength can be increased due to interstitial solid …
mechanical properties. Specifically, strength can be increased due to interstitial solid …
Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni
The temperature-dependent intrinsic stacking fault Gibbs energy is computed based on
highly converged density-functional-theory (DFT) calculations for the three prototype face …
highly converged density-functional-theory (DFT) calculations for the three prototype face …
Elastic properties of AlxCrMnFeCoNi (0≤ x≤ 5) high-entropy alloys from ab initio theory
Using ab initio calculations, we investigate the elastic properties of paramagnetic Al x
CrMnFeCoNi (0≤ x≤ 5) high-entropy alloys (HEAs) in both body-centered cubic (bcc) and …
CrMnFeCoNi (0≤ x≤ 5) high-entropy alloys (HEAs) in both body-centered cubic (bcc) and …
Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study
We study the mutual coupling of spin fluctuations and lattice vibrations in paramagnetic CrN
by combining atomistic spin dynamics and ab initio molecular dynamics. The two degrees of …
by combining atomistic spin dynamics and ab initio molecular dynamics. The two degrees of …
Invar effects in FeNiCo medium entropy alloys: From an Invar treasure map to alloy design
To facilitate the understanding of Invar effects and design of FeNiCo-base Invar alloys
characterized by low thermal expansion coefficient (TEC), we investigated the magnetic and …
characterized by low thermal expansion coefficient (TEC), we investigated the magnetic and …