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A Set of Moment Tensor Potentials for Zirconium with Increasing Complexity

Journal of chemical theory and computation, 2023-10, Vol.19 (19), p.6848-6856

2023

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Atomistic and mesoscale simulation of sodium and potassium adsorption in cement paste

The Journal of chemical physics, 2018-08, Vol.149 (7), p.074705-074705

2018

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Diffusion of point defects in crystalline silicon using the kinetic activation-relaxation technique method

Physical review. B, Condensed matter and materials physics, 2015-06, Vol.91 (22), Article 224106

2015

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Computational demystification of iron carbonyls formation under syngas environment

Npj Materials degradation, 2024-02, Vol.8 (1), p.19-8, Article 19

2024

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Thermodynamics, kinetics, and mechanics of cesium sorption in cement paste: A multiscale assessment

Physical review materials, 2018-05, Vol.2 (5), Article 053608

2018

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Probing Potential Energy Surface Exploration Strategies for Complex Systems

Journal of chemical theory and computation, 2015-04, Vol.11 (4), p.1970-1977

2015

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Solid-State Phase Transformation Explains the Mixed Crystallographic Character of Zr(Nb,Fe)2 Nanoprecipitates in Zr-2.5Nb

Journal of physical chemistry. C, 2023-10, Vol.127 (41), p.20503-20510

2023

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Implementing a non-local lattice particle method in the open-source large-scale atomic/molecular massively parallel simulator

Modelling and simulation in materials science and engineering, 2022-07, Vol.30 (5), p.54001

2022

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Replenish and relax: explaining logarithmic annealing in ion-implanted c-Si

Physical review letters, 2013-09, Vol.111 (10), p.105502-105502, Article 105502

2013

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Statistical distribution of spontaneous recombination radii of Frenkel pairs in FCC and BCC metals

Acta materialia, 2022-05, Vol.229, p.117814, Article 117814

2022

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Calculation of the recombination radii between various point defects and defect clusters in nickel via kinetic Activation Relaxation Technique

Journal of nuclear materials, 2023-12, Vol.586, p.154663, Article 154663

2023

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A molecular dynamics study of path-dependent grain boundary properties in nanocrystals prepared using different methods

Scripta materialia, 2021-12, Vol.205, p.114183, Article 114183

2021

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Following atomistic kinetics on experimental timescales with the kinetic Activation–Relaxation Technique

Computational materials science, 2015-04, Vol.100 (PB), p.111-123

2015

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Anisotropic diffusion of radiation-induced self-interstitial clusters in HCP zirconium: A molecular dynamics and rate-theory assessment

Scripta materialia, 2024-01, Vol.238, p.115755, Article 115755

2024

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Mechanical properties and pore network connectivity of sodium montmorillonite as predicted by a coarse-grained molecular model

Applied clay science, 2023-10, Vol.243, p.107077, Article 107077

2023

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A hybrid rate theory model of radiation-induced growth

Acta materialia, 2024-06, Vol.271, p.119878, Article 119878

2024

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Multi-principal element materials: Structure, property, and processing

Journal of applied physics, 2024-01, Vol.135 (1)

2024

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Interatomic force fields for zirconium based on the embedded atom method and the tabulated Gaussian Approximation Potential

Computational materials science, 2024-01, Vol.233, p.112730, Article 112730

2024

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He bubble growth in nickel simulated by object kinetic Monte Carlo

Journal of nuclear materials, 2023-04, Vol.576, p.154231, Article 154231

2023

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Accelerated kinetic Monte Carlo: A case study; vacancy and dumbbell interstitial diffusion traps in concentrated solid solution alloys

The Journal of chemical physics, 2020-08, Vol.153 (7), p.074109-074109

2020

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Differences in the accumulation of ion-beam damage in Ni and NiFe explained by atomistic simulations

Journal of alloys and compounds, 2016-03, Vol.662 (C), p.415-420

2016

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The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades

Acta materialia, 2016-09, Vol.116 (C), p.136-142

2016

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Long-time relaxation of ion-bombarded silicon studied with the kinetic activation-relaxation technique: Microscopic description of slow aging in a disordered system

Physical review. B, Condensed matter and materials physics, 2013-12, Vol.88 (21), Article 214201

2013

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Kinetic activation-relaxation technique

Physical review. E, Statistical, nonlinear, and soft matter physics, 2011-10, Vol.84 (4 Pt 2), p.046704-046704, Article 046704

2011

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Automated Detection of Helium Bubbles in Irradiated X-750

Ultramicroscopy, 2020-10, Vol.217, p.113068-113068, Article 113068

2020

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A Set of Moment Tensor Potentials for Zirconium with Increasing Complexity

Atomistic and mesoscale simulation of sodium and potassium adsorption in cement paste

Diffusion of point defects in crystalline silicon using the kinetic activation-relaxation technique method

Computational demystification of iron carbonyls formation under syngas environment

Thermodynamics, kinetics, and mechanics of cesium sorption in cement paste: A multiscale assessment

Probing Potential Energy Surface Exploration Strategies for Complex Systems

Solid-State Phase Transformation Explains the Mixed Crystallographic Character of Zr(Nb,Fe)2 Nanoprecipitates in Zr-2.5Nb

Implementing a non-local lattice particle method in the open-source large-scale atomic/molecular massively parallel simulator

Replenish and relax: explaining logarithmic annealing in ion-implanted c-Si

Statistical distribution of spontaneous recombination radii of Frenkel pairs in FCC and BCC metals

Calculation of the recombination radii between various point defects and defect clusters in nickel via kinetic Activation Relaxation Technique

A molecular dynamics study of path-dependent grain boundary properties in nanocrystals prepared using different methods

Following atomistic kinetics on experimental timescales with the kinetic Activation–Relaxation Technique

Anisotropic diffusion of radiation-induced self-interstitial clusters in HCP zirconium: A molecular dynamics and rate-theory assessment

Mechanical properties and pore network connectivity of sodium montmorillonite as predicted by a coarse-grained molecular model

A hybrid rate theory model of radiation-induced growth

Multi-principal element materials: Structure, property, and processing

Interatomic force fields for zirconium based on the embedded atom method and the tabulated Gaussian Approximation Potential

He bubble growth in nickel simulated by object kinetic Monte Carlo

Accelerated kinetic Monte Carlo: A case study; vacancy and dumbbell interstitial diffusion traps in concentrated solid solution alloys

Differences in the accumulation of ion-beam damage in Ni and NiFe explained by atomistic simulations

The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades

Long-time relaxation of ion-bombarded silicon studied with the kinetic activation-relaxation technique: Microscopic description of slow aging in a disordered system

Kinetic activation-relaxation technique

Automated Detection of Helium Bubbles in Irradiated X-750

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