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 …

Recent advances in micro-alloyed wrought magnesium alloys: Theory and design

B Jiang, Z Dong, A Zhang, J Song, F Pan - Transactions of Nonferrous …, 2022 - Elsevier
Micro-alloying design of wrought magnesium (Mg) alloys is an important strategy to achieve
high mechanical properties at a low cost. In the last two decades, significant progress has …

Mechanistic origin and prediction of enhanced ductility in magnesium alloys

Z Wu, R Ahmad, B Yin, S Sandlöbes, WA Curtin - Science, 2018 - science.org
Pure magnesium exhibits poor ductility owing to pyramidal〈 c+ a〉 dislocation
transformations to immobile structures, making this lowest-density structural metal unusable …

[HTML][HTML] Activation of second-order< c+ a> pyramidal slip and other secondary mechanisms in solid solution Mg-Zn alloys and their effect on tensile ductility

DF Shi, A Ma, MT Pérez-Prado, CM Cepeda-Jiménez - Acta Materialia, 2023 - Elsevier
This work investigates the strain-dependent activation of second-order< c+ a> pyramidal slip
and other non-basal systems with increasing tensile strain in a Mg-Zn alloy. With that …

Solid solution strengthening theories of high-entropy alloys

CR LaRosa, M Shih, C Varvenne… - Materials …, 2019 - Elsevier
We present a review of solid solution strengthening models for random concentrated solid
solutions of which high entropy alloys are an interesting subset. High entropy alloys (HEAs) …

Solute strengthening of prismatic slip, basal slip and {101 2} twinning in Mg and Mg–Zn binary alloys

N Stanford, MR Barnett - International Journal of Plasticity, 2013 - Elsevier
Mg–Zn binary alloys with concentrations between 0 and 2.8 wt% Zn have been prepared
and processed via hot rolling and annealing to produce specimens with a strong basal …

[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 …

Generalized stacking fault energy, ideal strength and twinnability of dilute Mg-based alloys: A first-principles study of shear deformation

SL Shang, WY Wang, BC Zhou, Y Wang, KA Darling… - Acta materialia, 2014 - Elsevier
In an effort to establish a scientific foundation for the computational development of
advanced Mg-based alloys, a systematic study of the generalized stacking fault (GSF) …

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 …

Magnesium interatomic potential for simulating plasticity and fracture phenomena

Z Wu, MF Francis, WA Curtin - Modelling and Simulation in …, 2015 - iopscience.iop.org
Magnesium has multiple dislocation and twinning systems with starkly different properties,
which make its plastic deformation strongly anisotropic and highly complex. Existing …