Probing alloying effects of rare earth and transition metal on surface energy and work function of ZrO 2 : A First-principles study

Theoretical Exploration of Alloying Effects on Stabilities and Mechanical Properties of γ′ Phase in Novel Co-Al-Nb-Base Superalloys

Phase Stabilities of Γ/Γ′ Feconialti High-Entropy Alloys Driven by Enthalpy-Entropy Competition

Atomic origins of the plastic deformation micro-mechanisms of ?/?? FeCoNiAlTi high-entropy alloys

Phase Stabilities of Γ/Γ′ Feconialti High-Entropy Alloys Driven by Enthalpy-Entropy Competition

L1 2-strengthened multicomponent Co-Al-Nb-based alloys with high strength and matrix-confined stacking-fault-mediated plasticity

<p>Accelerating optimization of IN718 by mapping alloying effects on phase stabilities and mechanical properties using high-throughput calculations</p>

Effects of alloying elements on the atomic structure, elastic and thermodynamic properties of L1(2)-Co-3 (V, Ti) compound

Atomic-scale investigations on dislocation-precipitate interactions influenced by voids in Ni-based superalloys

Exploring the alloying effects on generalized stacking fault energy and ideal strength of Ni and Ni3Al phases in Ni-based superalloys

Plasticity-induced stacking fault behaviors of gamma ' precipitates in novel CoNi-based superalloys

Accelerating the discovery of novel γ/γ' Co-based superalloys by probing temperature and alloying effects on the γ' precipitates

A predictive model of impurity diffusion coefficients in face-centered-cubic metallic systems based on machine-learning

Misorientation effect of twist grain boundaries on crack nucleation from molecular dynamics

Unveiling segregation-induced evolution in phase constitution of Cu-containing high-entropy alloys

Exploring alloying effect on phase stability and mechanical properties of gamma ''-Ni3Nb precipitates with first-principles calculations

First-principles study of phase stability and temperature-dependent mechanical properties of (Cr, M)(23)C-6 (M = Fe, Mo) phases

Unveiling the Electronic Origin for Pressure-Induced Phase Transitions in High-Entropy Alloys

Accelerated design of novel W-free high-strength Co-base superalloys with extremely wide gamma/gamma' region by machine learning and CALPHAD methods

Theoretical investigation of the crystallographic structure, anisotropic elastic response, and electronic properties of the major borides in Ni-based superalloys

Molecular dynamics study on tensile strength of twist grain boundary structures under uniaxial tension in copper

Theoretical investigations of solid-solution effect on the twinning of Ni

Exploration of crystal structure and the origin of unexpected intrinsic ductility of χCo7Ta2

Software realization of physical property calculation model based on effective medium theory

Generalized stacking fault energies of Cr23C6 carbide: A first-principles study

Effects of transition elements on the site preference, elastic properties and phase stability of L1(2) gamma '-Co-3(Al, W) from first-principles calculations

High-temperature mechanical and thermodynamic properties of silicon carbide polytypes

A modified CALPHAD model for thermal expansion coefficient in Invar Ni-Fe(FCC) alloys

Accelerating exploitation of Co-Al-based superalloys from theoretical study

Investigation of half-metallic ferromagnetism in Heusler compounds Co(2)VZ (Z = Ga, Ge, As, Se)

Effects of alloying elements on relative phase stability and elastic properties of L12Co3V from first-principles calculations