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Improving atomic displacement and replacement calculations with physically realistic damage models

Nature communications, 2018-03, Vol.9 (1), p.1084-8, Article 1084

2018

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Plastic anisotropy and dislocation trajectory in BCC metals

Nature communications, 2016-05, Vol.7 (1), p.11695-11695, Article 11695

2016

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Screw dislocation-carbon interaction in BCC tungsten: an ab initio study

Acta materialia, 2020-11, Vol.200, p.481-489

2020

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Mobility of carbon-decorated screw dislocations in bcc iron

Acta materialia, 2023-04, Vol.247, p.118716, Article 118716

2023

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Formation mechanism and the role of nanoparticles in Fe-Cr ODS steels developed for radiation tolerance

Physical review. B, Condensed matter and materials physics, 2010-11, Vol.82 (18), Article 184103

2010

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Non-glide effects and dislocation core fields in BCC metals

npj computational materials, 2019-12, Vol.5 (1), p.1-8, Article 109

2019

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Multiscale modelling of defect kinetics in irradiated iron

Nature materials, 2005-01, Vol.4 (1), p.68-74

2005

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Primary radiation damage: A review of current understanding and models

Journal of nuclear materials, 2018-12, Vol.512 (C), p.450-479

2018

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Preface for MMM 2016 focus issue

Modelling and simulation in materials science and engineering, 2018-01, Vol.26 (1), p.10301

2018

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The multi-scale grand challenge of radiation damage modeling

Computational materials science, 2018-09, Vol.152, p.361-362

2018

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Dislocation core energies and core fields from first principles

Physical review letters, 2009-02, Vol.102 (5), p.055502-055502, Article 055502

2009

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Influence of surface stress in the missing row reconstruction of fcc transition metals

Surface science, 2006-12, Vol.600 (24), p.5131-5135

2006

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Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W

Acta materialia, 2013-06, Vol.61 (11), p.3973-3985

2013

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Foreword

Comptes rendus. Physique, 2018-12, Vol.19 (8), p.637-639

2018

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HRTEM Study of the Role of Nanoparticles in ODS Ferritic Steel under Dual-Ion Irradiation

MRS proceedings, 2011, Vol.1296 (1), Article mrsf10-1296-o05-01

2011

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Role of Trapping Impurities on He Desorption and Clustering in Irradiated α-Fe [PowerPoint Submission]

MRS proceedings, 2006, Vol.978, Article 0978-GG07-04-JJ02-04

2006

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Nucleation and Growth of Defects in He irradiated Fe using Rate Theory and Kinetic Monte Carlo Methods

MRS proceedings, 2005, Vol.908, Article 0908-OO05-22

2005

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First Principles Calculations of Helium Solution Energies in BCC Transition Metals

MRS proceedings, 2006, Vol.981, Article 0981-JJ05-04

2006

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1.16 - Ab Initio Electronic Structure Calculations for Nuclear Materials

Comprehensive Nuclear Materials, 2020, p.517-543

Second Edition, 2020

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Temperature-induced hcp-bcc phase transformation in zirconium: a lattice and molecular-dynamics study based on an N-body potential

Physical review letters, 1989-11, Vol.63 (20), p.2244-2247

1989

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A Molecular Dynamics Study of Zirconium Based on An N-Body Potential: HCP/BCC Phase Transformation and Diffusion Mechanisms in the BCC-Phase

MRS proceedings, 1990, Vol.193, Article 295

1990

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Molecular Dynamics Study of the Elastic Response of Crystalline, Amorphous and Chemically Disordered NiZr 2

MRS proceedings, 1990, Vol.205, Article 399

1990

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Molecular Dynamics Study of the Elastic Response of Crystalline, Amorphous and Chemically Disordered NiZr2

MRS proceedings, 1990, Vol.205

1990

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Catalyst-Free Synthesis of Single-Wall Boron Nitride Nanotubes via Laser Ablation

MRS proceedings, 2000, Vol.633, Article A15.3

2000

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Population-based study of cognitive outcomes in congenital heart defects

Archives of disease in childhood, 2018-01, Vol.103 (1), p.49

2018

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Exact Sciences And Technology
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Improving atomic displacement and replacement calculations with physically realistic damage models

Plastic anisotropy and dislocation trajectory in BCC metals

Screw dislocation-carbon interaction in BCC tungsten: an ab initio study

Mobility of carbon-decorated screw dislocations in bcc iron

Formation mechanism and the role of nanoparticles in Fe-Cr ODS steels developed for radiation tolerance

Non-glide effects and dislocation core fields in BCC metals

Multiscale modelling of defect kinetics in irradiated iron

Primary radiation damage: A review of current understanding and models

Preface for MMM 2016 focus issue

The multi-scale grand challenge of radiation damage modeling

Dislocation core energies and core fields from first principles

Influence of surface stress in the missing row reconstruction of fcc transition metals

Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W

Foreword

HRTEM Study of the Role of Nanoparticles in ODS Ferritic Steel under Dual-Ion Irradiation

Role of Trapping Impurities on He Desorption and Clustering in Irradiated α-Fe [PowerPoint Submission]

Nucleation and Growth of Defects in He irradiated Fe using Rate Theory and Kinetic Monte Carlo Methods

First Principles Calculations of Helium Solution Energies in BCC Transition Metals

1.16 - Ab Initio Electronic Structure Calculations for Nuclear Materials

Temperature-induced hcp-bcc phase transformation in zirconium: a lattice and molecular-dynamics study based on an N-body potential

A Molecular Dynamics Study of Zirconium Based on An N-Body Potential: HCP/BCC Phase Transformation and Diffusion Mechanisms in the BCC-Phase

Molecular Dynamics Study of the Elastic Response of Crystalline, Amorphous and Chemically Disordered NiZr 2

Molecular Dynamics Study of the Elastic Response of Crystalline, Amorphous and Chemically Disordered NiZr2

Catalyst-Free Synthesis of Single-Wall Boron Nitride Nanotubes via Laser Ablation

Population-based study of cognitive outcomes in congenital heart defects

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