Temperature dependent lattice misfit and coherency of Al3X (X= Sc, Zr, Ti and Nb) particles in an Al matrix

S Saha, TZ Todorova, JW Zwanziger - Acta Materialia, 2015 - Elsevier
The lattice coherency and critical radii for Al 3 X precipitates in an aluminum matrix were
computed using first-principles methods. From density functional perturbation theory and the …

New insight into the structural, mechanical, electronic, and thermodynamic properties of the monoclinic TMAl3‐type aluminides

Y Pan - International Journal of Quantum Chemistry, 2022 - Wiley Online Library
Despite of the potential high‐temperature technological applications of MoAl3 alloy because
of high‐temperature strength and good oxidation resistance, the structure and related …

First-principles investigation of thermodynamic, elastic and electronic properties of Al3V and Al3Nb intermetallics under pressures

Z Chen, P Zhang, D Chen, Y Wu, M Wang… - Journal of Applied …, 2015 - pubs.aip.org
The thermodynamic, elastic, and electronic properties of D0 22-type Al 3 V and Al 3 Nb
intermetallics were studied using the first-principle method. The results showed the pressure …

The formation of (Al, Si) 3 (Ti, Sc) through microalloying and solidification control synergy in Al-7Si-0.7 Mg refines α-Al greatly

P Lian, H Mao, Q Wei, R Ma, C Li, H Xu - Journal of Alloys and Compounds, 2023 - Elsevier
The grain refinement mechanism of Al-7Si-0.7 Mg alloy by Sc and Ti have been
systematically investigated at different cooling rate. The Si-poisoning effect have been …

A thermodynamic re-assessment of Al–V toward an assessment of the ternary Al–Ti–V system

B Lindahl, XL Liu, ZK Liu, M Selleby - Calphad, 2015 - Elsevier
Titanium alloys are highly sought after due to their excellent mechanical properties. One of
the most commonly used Ti alloys is Ti–6Al–4V, which contains 6% Al and 4% V by weight …

Ab-initio investigations on elastic properties in L12 structure Al3Sc and Al3Y under high pressure

YH Duan, Y Sun, MJ Peng, SG Zhou - Journal of alloys and compounds, 2014 - Elsevier
The effects of high pressure on elastic properties and electronic structures of L1 2 structure
trialuminide Al 3 Sc and Al 3 Y compounds have been investigated by first-principles …

Theoretical investigations on phase stability, elastic constants and electronic structures of D022-and L12-Al3Ti under high pressure

J Li, M Zhang, X Luo - Journal of alloys and compounds, 2013 - Elsevier
Phase stability, elastic and thermodynamic properties, and electronic structure of titanium
trialuminide (Al3Ti) with Ll2 and D022 structures under pressure up to 40GPa have been …

First-principles calculations to investigate stability, mechanical and thermo-dynamic properties of AlxTMy intermetallics in aluminum alloys

T Hu, Z Ruan, T Fan, D Chen, Y Wu, P Tang - Solid State Communications, 2023 - Elsevier
The mechanical, thermal and electrical properties of 8 types of common Al x TM y (TM= Sc–
Zn, Y–Cd, Hf–Hg) intermetallics in Al based alloys at various temperatures and pressures …

[HTML][HTML] Synthesis and characterization of (Al, Si) 3 (Zr, Ti)-D022/D023 intermetallics: Understanding the stability of silicon substitution

JR Castillo-Sánchez, G Salloum-Abou-Jaoude… - Acta Materialia, 2024 - Elsevier
Abstract (Al, Si) 3 (Zr, Ti)-D0 22/D0 23 are phases that may form in aerospace and
automotive aluminium alloys. The substitution of Zr/Ti in these solid solutions is widely …

Theoretical investigations of Zr-concentration influence on the thermodynamic, elastic, electronic, and structural stability of D022/L12-Al3Ti

R Boulechfar, D Sayad, Y Khenioui, H Meradji… - The European Physical …, 2024 - Springer
A theoretical study was conducted to analyze electronic, elastic, and thermodynamic
properties and the structural stability of the intermetallic materials Al3Ti1− xZrx for tetragonal …