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

Texture, elastic anisotropy and thermal stability of commercially pure titanium prepared by room temperature ECAP

(2023) K. Tesař et al.   MATERIALS & DESIGN

Unveiling deformation twin nucleation and growth mechanisms in BCC transition metals and alloys

(2023) Jianwei Xiao et al.   Materials Today

An evolution of subsequent yield loci under proportional and non-proportional loading path of ‘as-received’ extruded AZ31 magnesium alloy: Experiments and CPFEM modeling

(2022) Ch Mohammad Abbas Iftikhar et al.   INTERNATIONAL JOURNAL OF PLASTICITY

DP Compress: A Model Compression Scheme for Generating Efficient Deep Potential Models

(2022) Denghui Lu et al.   Journal of Chemical Theory and Computation

Characteristics of 〈a〉 screw dislocations and their slip on prismatic and pyramidal planes in pure α titanium from atomistic simulations

(2022) Ali Rida et al.   Materialia

MEAM interatomic potential for thermodynamic and mechanical properties of lithium allotropes

(2022) Zheng Qin et al.   COMPUTATIONAL MATERIALS SCIENCE

Grain boundary slip – twin transmission in titanium

(2022) Behnam Ahmadikia et al.   ACTA MATERIALIA

Theoretical investigation of the 70.5° mixed dislocations in body-centered cubic transition metals

(2021) Lorenz Romaner et al.   ACTA MATERIALIA

LAMMPS - A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

(2021) Aidan P. Thompson et al.   COMPUTER PHYSICS COMMUNICATIONS

Cryoforged nanotwinned titanium with ultrahigh strength and ductility

(2021) Shiteng Zhao et al.   SCIENCE

Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order

(2021) Sheng Yin et al.   Nature Communications

Dislocation core structure and motion in pure titanium and titanium alloys: A first-principles study

(2021) Tomohito Tsuru et al.   COMPUTATIONAL MATERIALS SCIENCE

Atomistic simulations of the local slip resistances in four refractory multi-principal element alloys

(2021) Rebecca A. Romero et al.   INTERNATIONAL JOURNAL OF PLASTICITY

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

(2021) Tongqi Wen et al.   npj Computational Materials

Modified Embedded‐Atom Method Potentials for the Plasticity and Fracture Behaviors of Unary HCP Metals

(2021) Shuai Chen et al.   Advanced Theory and Simulations

Texture induced planar anisotropy of dwell fatigue response in titanium: Insights from experiments and crystal plasticity simulations

(2021) K.U. Yazar et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Comprehensive review on alloy design, processing, and performance of β Titanium alloys as biomedical materials

(2020) Sumit Bahl et al.   INTERNATIONAL MATERIALS REVIEWS

Cyclic plasticity and thermomechanical alleviation in titanium alloys

(2020) Yilun Xu et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Experimental evaluation of critical resolved shear stress for the first-order pyramidal c + a slip in commercially pure Ti by micropillar compression method

(2020) Kyosuke Kishida et al.   ACTA MATERIALIA

Mechanistic basis of oxygen sensitivity in titanium

(2020) Yan Chong et al.   Science Advances

Polycrystal plasticity modeling for load reversals in commercially pure titanium

(2019) Jiaxiang Wang et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Tension–compression asymmetry of 〈c+a〉 slip in Ti–6Al

(2019) William Roberts et al.   SCRIPTA MATERIALIA

Direct imaging of short-range order and its impact on deformation in Ti-6Al

(2019) Ruopeng Zhang et al.   Science Advances

A phase field model for dislocations in hexagonal close packed crystals

(2019) C. Albrecht et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Deformation mechanisms in a metastable beta titanium twinning induced plasticity alloy with high yield strength and high strain hardening rate

(2018) Junheng Gao et al.   ACTA MATERIALIA

DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics

(2018) Han Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Micromechanical modeling of the effect of elastic and plastic anisotropies on the mechanical behavior of β-Ti alloys

(2018) Safaa Lhadi et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Interpreting strain burst in micropillar compression through instability of loading system

(2018) Peng Wang et al.   INTERNATIONAL JOURNAL OF PLASTICITY

New interatomic potential for Mg–Al–Zn alloys with specific application to dilute Mg-based alloys

(2018) Doyl E Dickel et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Basal slip of ⟨a⟩ screw dislocations in hexagonal titanium

(2018) Piotr Kwasniak et al.   SCRIPTA MATERIALIA

New theory for Mode I crack-tip dislocation emission

(2017) Predrag Andric et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Convergence of calculated dislocation core structures in hexagonal close packed titanium

(2017) Max Poschmann et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Atomistic modeling of dislocation interactions with twin boundaries in Ti

(2017) M S Hooshmand et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Energetics of dislocation transformations in hcp metals

(2016) Zhaoxuan Wu et al.   ACTA MATERIALIA

Crystal plasticity simulation of strain aging phenomena in α-titanium at room temperature

(2016) Arina Marchenko et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Crystal plasticity FE modeling of Ti alloys for a range of strain-rates. Part II: Image-based model with experimental validation

(2016) Somnath Ghosh et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Crystal plasticity FE modeling of Ti alloys for a range of strain-rates. Part I: A unified constitutive model and flow rule

(2016) Ahmad Shahba et al.   INTERNATIONAL JOURNAL OF PLASTICITY

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

(2016) M. I. Mendelev et al.   JOURNAL OF CHEMICAL PHYSICS

Dislocation dynamics in hexagonal close-packed crystals

(2016) S. Aubry et al.   JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS

Novel Cross-Slip Mechanism of Pyramidal Screw Dislocations in Magnesium

(2016) Mitsuhiro Itakura et al.   PHYSICAL REVIEW LETTERS

Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals

(2016) Zhaoxuan Wu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Intrinsic structural transitions of the pyramidal I 〈 c + a 〉 dislocation in magnesium

(2016) Zhaoxuan Wu et al.   SCRIPTA MATERIALIA

Brittle and ductile crack-tip behavior in magnesium

(2015) Z. Wu et al.   ACTA MATERIALIA

First-principles study of energy and atomic solubility of twinning-associated boundaries in hexagonal metals

(2015) Anil Kumar et al.   ACTA MATERIALIA

Mechanical behavior of ultrafine-grained/nanocrystalline titanium synthesized by mechanical milling plus consolidation: Experiments, modeling and simulation

(2015) Jian Liu et al.   INTERNATIONAL JOURNAL OF PLASTICITY

The origins of high hardening and low ductility in magnesium

(2015) Zhaoxuan Wu et al.   NATURE

Dislocation locking versus easy glide in titanium and zirconium

(2015) Emmanuel Clouet et al.   NATURE MATERIALS

Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transition

(2015) Won-Seok Ko et al.   PHYSICAL REVIEW B

Origin of dramatic oxygen solute strengthening effect in titanium

(2015) Q. Yu et al.   SCIENCE

〈c+a〉 Dislocations in deformed Ti–6Al–4V micro-cantilevers

(2014) Rengen Ding et al.   ACTA MATERIALIA

Growth Twins and Deformation Twins in Metals

(2014) Irene J. Beyerlein et al.   Annual Review of Materials Research

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Molecular statics and molecular dynamics simulations of the critical stress for motion of a/3 screw dislocations in α-Ti at low temperatures using a modified embedded atom method potential

(2013) S.I. Rao et al.   ACTA MATERIALIA

Characterization of deformation anisotropies in an α-Ti alloy by nanoindentation and electron microscopy

(2013) J. Kwon et al.   ACTA MATERIALIA

Perspectives on Titanium Science and Technology

(2013) Dipankar Banerjee et al.   ACTA MATERIALIA

The crystal structures of sintered copper nanoparticles: A molecular dynamics study

(2013) Bingqing Cheng et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Plastic activity in nanoscratch molecular dynamics simulations of pure aluminium

(2013) Till Junge et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Study of $$ \{ 11\bar{2} 1\} $$ Twinning in α-Ti by EBSD and Laue Microdiffraction

(2013) Leyun Wang et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Source mechanism of non-basal 〈c+a〉 slip in Ti alloy

(2013) Qian Yu et al.   SCRIPTA MATERIALIA

First-principles core structures of edge and screw dislocations in Mg

(2013) M. Ghazisaeidi et al.   SCRIPTA MATERIALIA

Deformation induced anisotropic responses of Ti–6Al–4V alloy Part II: A strain rate and temperature dependent anisotropic yield criterion

(2012) Akhtar S. Khan et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Core structure of a screw dislocation in Ti from density functional theory and classical potentials

(2011) M. Ghazisaeidi et al.   ACTA MATERIALIA

First-principles study of dislocations in hcp metals through the investigation of the (112¯1) twin boundary

(2011) Nina J. Lane et al.   PHYSICAL REVIEW B

In situ TEM study of dislocation slip in a metastable β titanium alloy

(2011) P. Castany et al.   SCRIPTA MATERIALIA

Anisotropy in the plastic flow properties of single-crystal α titanium determined from micro-cantilever beams

(2009) Jicheng Gong et al.   ACTA MATERIALIA

Grain size, strain rate, and temperature dependence of flow stress in ultra-fine grained and nanocrystalline Cu and Al: Synthesis, experiment, and constitutive modeling

(2008) Babak Farrokh et al.   INTERNATIONAL JOURNAL OF PLASTICITY

Classical potential describes martensitic phase transformations between theα,β, andωtitanium phases

(2008) R. G. Hennig et al.   PHYSICAL REVIEW B