[HTML][HTML] Development of an interatomic potential for the simulation of defects, plasticity, and phase transformations in titanium

MI Mendelev, TL Underwood… - The Journal of chemical …, 2016 - pubs.aip.org
New interatomic potentials describing defects, plasticity, and high temperature phase
transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation …

Finnis–Sinclair-type potential for atomistic simulation of defects behaviour in V-Ti-Ta ternary system

R Qiu, Y Chen, X Liao, X He, W Yang, W Hu… - Journal of Nuclear …, 2021 - Elsevier
Vanadium (V)-based alloys are potential candidates for structural materials of fusion
reactors because of their excellent properties; recently, the V–Ti–Ta alloy has received …

High temperature oxidation resistance in titanium–niobium alloys

BE Tegner, L Zhu, C Siemers, K Saksl… - Journal of alloys and …, 2015 - Elsevier
Titanium alloys are ideally suited for use as lightweight structural materials, but their use at
high temperature is severely restricted by oxidation. Niobium is known to confer oxidation …

The α→ ω transformation in titanium-cobalt alloys under high-pressure torsion

AR Kilmametov, Y Ivanisenko, BB Straumal… - Metals, 2017 - mdpi.com
The pressure influence on the α→ ω transformation in Ti–Co alloys has been studied during
high pressure torsion (HPT). The α→ ω allotropic transformation takes place at high …

Relative strength of phase stabilizers in titanium alloys

BE Tegner, L Zhu, GJ Ackland - Physical Review B—Condensed Matter and …, 2012 - APS
Titanium alloys exhibit three distinct crystal structures: α, β, and ω. For various applications
alloying elements can be used to stabilize the desired phase. Extensive data exist to …

Effect of Ti addition on the thermal expansion anisotropy of Mo5Si3

MA Azim, HJ Christ, B Gorr, T Kowald, O Lenchuk… - Acta Materialia, 2017 - Elsevier
Abstract (Mo, Ti) 5 Si 3 (T1) is a key component of novel Mo-Si-Ti composites which show
superior creep resistance and a lower density than state-of-the-art Ni-based superalloys …

Comment on “First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO

K Refson, B Montanari, PD Mitev, K Hermansson… - Physical Review B …, 2013 - APS
In a recent Brief Report, Grünebohm et al.[Phys. Rev. B 84, 132105 (2011) PRBMDO 1098-
0121 10.1103/PhysRevB. 84.132105] report that they fail to reproduce the A 2 u ferroelectric …

First-principles study of solute diffusion mechanisms in alpha-Ti

L Scotti - 2016 - etheses.bham.ac.uk
Diffusion mechanisms govern a wide range of phenomena in condensed matter including
high-temperature deformation. The good influence of slow diffusers such as Si on the creep …

Control of charge state of dopants in insulating crystals: Case study of Ti-doped sapphire

LY Kravchenko, DV Fil - Physical Review Research, 2020 - APS
We study mechanisms of control of charge state and concentration of different point defects
in doped insulating crystals. The approach is based on the density functional theory …

Effects of electrons and spin-orbit interaction on the characteristics of bulk plasmons in lead

X Zubizarreta, VM Silkin, EV Chulkov - Physical Review B, 2014 - APS
An ab initio study of the dynamical dielectric response of bulk lead is presented. The
influence of the 5 d semicore states on the characteristics of the bulk plasmon is analyzed by …