Tailoring the hydrogenated mechanism of Pt3Al from first-principles investigation
Y Pan, X Chen, X Zhang - Vacuum, 2023 - Elsevier
Pt–Al compounds are promising high-temperature structural materials. However, the
hydrogenated behavior of Pt 3 Al is still unclear. To explore the hydrogenated mechanism …
hydrogenated behavior of Pt 3 Al is still unclear. To explore the hydrogenated mechanism …
[HTML][HTML] Influence of pressure on the structural, elastic and thermodynamic properties of α-and β-PtAl high temperature alloys
Y Pan, F Yang - Journal of Materials Research and Technology, 2024 - Elsevier
Although PtAl alloy is a promising high-temperature material, the mechanical properties and
thermodynamic behavior of PtAl alloy under high pressure is entirely unknown. To solve this …
thermodynamic behavior of PtAl alloy under high pressure is entirely unknown. To solve this …
Discovering novel γ-γ′ Pt-Al superalloys via lattice stability in Pt3Al induced by local atomic environment distortion
Abstract The strength of Pt-Al superalloys can be effectively improved using a coherent
structure composed of a disordered γ phase and an ordered γ′ phase. However, γ′-Pt 3 …
structure composed of a disordered γ phase and an ordered γ′ phase. However, γ′-Pt 3 …
Ab-initio calculations of mechanical and thermodynamic properties of TM (transition metal: 3d and 4d)-doped Pt3Al
Y Pan, M Wen - Vacuum, 2018 - Elsevier
Abstract The cubic Pt 3 Al has received considerable attention for high temperature
applications. However, it is a great challenge to improve the balance between the …
applications. However, it is a great challenge to improve the balance between the …
The influence of vacancy on the mechanical properties of IrAl coating: First-principles calculations
Y Pan, M Wen - Thin Solid Films, 2018 - Elsevier
The structural stability and mechanical properties of high-temperature materials are
markedly influenced by the point defect. Although IrAl compound is a promising thermal …
markedly influenced by the point defect. Although IrAl compound is a promising thermal …
Energy localization on the Al sublattice of Pt3Al with L12 order
NN Medvedev, MD Starostenkov… - Journal of Applied …, 2013 - pubs.aip.org
A three-dimensional molecular-dynamics model of P t 3 A l with L 1 2 order was developed
and found to support the excitation of discrete breathers (DBs) and energy localization on …
and found to support the excitation of discrete breathers (DBs) and energy localization on …
Stability, thermal and mechanical properties of PtxAly compounds
The stability, thermal and mechanical properties of PtxAly intermetallic compounds are
investigated by density functional theory (DFT). The cohesive energy and formation enthalpy …
investigated by density functional theory (DFT). The cohesive energy and formation enthalpy …
Materials modelling in the University of Limpopo
This article provides insights into building research capacity in computational modelling of
materials at the University of Limpopo (UL), formerly University of the North, in South Africa …
materials at the University of Limpopo (UL), formerly University of the North, in South Africa …
Insight into the Mechanical Properties and Fracture Behavior of Pt3Al Coating by Experiment and Theoretical Simulation
Y Pan - Journal of Materials Engineering and Performance, 2021 - Springer
Abstract The polycrystalline Pt 3 Al coating was prepared by the arc-melting method. The
fracture mechanism of Pt 3 Al was investigated by the theoretical investigation. The …
fracture mechanism of Pt 3 Al was investigated by the theoretical investigation. The …
Investigation of the thermodynamic, structural, electronic, mechanical and phonon properties of D0c Ru-based intermetallic alloys: An ab-initio Study
We present the structural, elastic, electronic, magnetic, and phonon properties of D0c X 3 Ru
(X= Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) alloys in their respective ground-states at zero …
(X= Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) alloys in their respective ground-states at zero …