Ab initio modeling of dislocation core properties in metals and semiconductors

D Rodney, L Ventelon, E Clouet, L Pizzagalli… - Acta Materialia, 2017 - Elsevier
Dislocation cores, the regions in the immediate vicinity of dislocation lines, control a number
of properties such as dislocation mobility, cross-slip and short-range interactions with other …

On the mechanistic basis of deformation at the microscale in hexagonal close-packed metals

TB Britton, FPE Dunne… - Proceedings of the …, 2015 - royalsocietypublishing.org
This is an overview of micromechanical deformation mechanisms in hexagonal close-
packed metals. We start with an in-depth discussion of single-crystal behaviour concerning …

Perspectives on titanium science and technology

D Banerjee, JC Williams - Acta Materialia, 2013 - Elsevier
The basic framework and-conceptual understanding of the metallurgy of Ti alloys is strong
and this has enabled the use of titanium and its alloys in safety-critical structures such as …

Origin of dramatic oxygen solute strengthening effect in titanium

Q Yu, L Qi, T Tsuru, R Traylor, D Rugg, JW Morris Jr… - Science, 2015 - science.org
Structural alloys are often strengthened through the addition of solute atoms. However,
given that solute atoms interact weakly with the elastic fields of screw dislocations, it has …

Specialising neural network potentials for accurate properties and application to the mechanical response of titanium

T Wen, R Wang, L Zhu, L Zhang, H Wang… - npj Computational …, 2021 - nature.com
Large scale atomistic simulations provide direct access to important materials phenomena
not easily accessible to experiments or quantum mechanics-based calculation approaches …

[图书][B] Dislocations, mesoscale simulations and plastic flow

L Kubin - 2013 - books.google.com
In the past twenty years, new experimental approaches, improved models and progress in
simulation techniques have brought new insights into longstanding issues concerning …

Comprehensive first-principles study of stable stacking faults in hcp metals

B Yin, Z Wu, WA Curtin - Acta Materialia, 2017 - Elsevier
The plastic deformation in hcp metals is complex, with the associated dislocation core
structures and properties not well understood on many slip planes in most hcp metals. A first …

Dislocation locking versus easy glide in titanium and zirconium

E Clouet, D Caillard, N Chaari, F Onimus, D Rodney - Nature materials, 2015 - nature.com
The ease of a metal to deform plastically in selected crystallographic planes depends on the
core structure of its dislocations. As the latter is controlled by electronic interactions, metals …

Twinning-induced plasticity with multiple twinning modes and disclinations in Mg alloys

Y Gao, L Zhao, M Zha, CF Du, ZM Hua, K Guan… - International Journal of …, 2023 - Elsevier
Twinning-induced plasticity plays a critical role in determining the deformation behaviors of
hexagonal close-packed metals (eg, Mg and Ti), due to the lack of five independent slip …

Modelling of dislocations, twins and crack-tips in HCP and BCC Ti

T Wen, A Liu, R Wang, L Zhang, J Han, H Wang… - International Journal of …, 2023 - Elsevier
Ti exhibits complex plastic deformation controlled by active dislocation and twinning
systems. Understandings on dislocation cores and twin interfaces are currently not complete …