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Solute diffusion by self-interstitial defects and radiation-induced segregation in ferritic Fe–X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys

Acta materialia, 2020-06, Vol.191, p.166-185

2020

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Modeling radiation induced segregation in iron–chromium alloys

Acta materialia, 2016-01, Vol.103, p.1-11

2016

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Effect of cationic chemical disorder on defect formation energies in uranium–plutonium mixed oxides

Journal of applied physics, 2022-11, Vol.132 (17), p.175103

2022

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Thermodynamic model for lattice point defect-mediated semi-coherent precipitation in alloys

Communications materials, 2021-12, Vol.2 (1), p.1-11, Article 32

2021

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Complex precipitation pathways in multicomponent alloys

Nature materials, 2006-06, Vol.5 (6), p.482-488

2006

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Atomistic simulations of diffusive phase transformations with non-conservative point defects

MRS communications, 2022-10, Vol.12 (6), p.1015-1029

2022

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Vacancy formation free energy in concentrated alloys: Equilibrium vs. random sampling

Acta materialia, 2024-12, Vol.281, p.120355, Article 120355

2024

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Transport properties of dilute α − Fe ( X ) solid solutions ( X = C, N, O)

Physical review. B, 2016-06, Vol.93 (22), Article 224101

2016

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Exact ab initio transport coefficients in bcc Fe − X ( X = Cr , Cu , Mn , Ni , P , Si ) dilute alloys

Physical review. B, Condensed matter and materials physics, 2014-09, Vol.90 (10), p.104203, Article 104203

2014

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KineCluE: A kinetic cluster expansion code to compute transport coefficients beyond the dilute limit

Computational materials science, 2020-02, Vol.172, p.109191, Article 109191

2020

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Systematic electronic-structure investigation of substitutional impurity diffusion and flux coupling in bcc iron

Physical review. B, 2016-05, Vol.93 (18), Article 184302

2016

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Elastodiffusion calculation of asymptotic absorption efficiencies and bias factors of dislocations in Al, Ni and Fe

Journal of nuclear materials, 2022-11, Vol.570, p.153959, Article 153959

2022

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On the relative contributions of point defect clusters to macroscopic swelling of metals

Journal of applied physics, 2022-06, Vol.131 (22)

2022

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Coarse-grained kinetic Monte Carlo simulation of diffusion in alloys

Physical review. B, Condensed matter and materials physics, 2013-10, Vol.88 (13), Article 134207

2013

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Towards accurate thermodynamics from random energy sampling

Acta materialia, 2024-09, Vol.276, p.120074, Article 120074

2024

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Atomistic simulations of diffusive phase transformations with non-conservative point defects

MRS communications, 2022-12, Vol.12 (6), p.1015-1029

2022

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Elastodiffusion calculation of asymptotic absorption efficiences and bias factors of dislocations in Al, Ni and Fe

Journal of nuclear materials, 2022, Vol.570

2022

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Interaction between vacancies and interstitial solutes (C, N, and O) in α − Fe : From electronic structure to thermodynamics

Physical review. B, Condensed matter and materials physics, 2014-08, Vol.90 (5), Article 054112

2014

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Towards the modeling of the interplay between radiation induced segregation and sink microstructure

Journal of applied physics, 2022-08, Vol.132 (8)

2022

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Point defect evolution under irradiation: Finite size effects and spatio-temporal correlations

Journal of nuclear materials, 2020-10, Vol.539 (C), p.152233, Article 152233

2020

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Atomistic Modelling of Segregation and Precipitation in Fe-Cr Alloys under Irradiation

EPJ Web of Conferences, 2016, Vol.115, p.3002

2016

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Mean field theories for the description of diffusion and phase transformations controlled by diffusion

Physical chemistry chemical physics : PCCP, 2004-07, Vol.6 (13), p.3611-3619

2004

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Capabilities and limits of autoencoders for extracting collective variablesin atomistic materials science

Physical chemistry chemical physics : PCCP, 2022

2022

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Atomistic modelling of the diffusion of C in FeCr alloys

Acta materialia, 2019-02, Vol.165, p.638-653

2019

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Effects of Compression Tests on Point Defects in Pure Ni and Ni-16wt%Cr Model Alloys

Diffusion and defect data. Solid state data. Pt. A, Defect and diffusion forum, 2015-05, Vol.363, p.202-209

2015

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Solute diffusion by self-interstitial defects and radiation-induced segregation in ferritic Fe–X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys

Modeling radiation induced segregation in iron–chromium alloys

Effect of cationic chemical disorder on defect formation energies in uranium–plutonium mixed oxides

Thermodynamic model for lattice point defect-mediated semi-coherent precipitation in alloys

Complex precipitation pathways in multicomponent alloys

Atomistic simulations of diffusive phase transformations with non-conservative point defects

Vacancy formation free energy in concentrated alloys: Equilibrium vs. random sampling

Transport properties of dilute α − Fe ( X ) solid solutions ( X = C, N, O)

Exact ab initio transport coefficients in bcc Fe − X ( X = Cr , Cu , Mn , Ni , P , Si ) dilute alloys

KineCluE: A kinetic cluster expansion code to compute transport coefficients beyond the dilute limit

Systematic electronic-structure investigation of substitutional impurity diffusion and flux coupling in bcc iron

Elastodiffusion calculation of asymptotic absorption efficiencies and bias factors of dislocations in Al, Ni and Fe

On the relative contributions of point defect clusters to macroscopic swelling of metals

Coarse-grained kinetic Monte Carlo simulation of diffusion in alloys

Towards accurate thermodynamics from random energy sampling

Atomistic simulations of diffusive phase transformations with non-conservative point defects

Elastodiffusion calculation of asymptotic absorption efficiences and bias factors of dislocations in Al, Ni and Fe

Interaction between vacancies and interstitial solutes (C, N, and O) in α − Fe : From electronic structure to thermodynamics

Towards the modeling of the interplay between radiation induced segregation and sink microstructure

Point defect evolution under irradiation: Finite size effects and spatio-temporal correlations

Atomistic Modelling of Segregation and Precipitation in Fe-Cr Alloys under Irradiation

Mean field theories for the description of diffusion and phase transformations controlled by diffusion

Capabilities and limits of autoencoders for extracting collective variablesin atomistic materials science

Atomistic modelling of the diffusion of C in FeCr alloys

Effects of Compression Tests on Point Defects in Pure Ni and Ni-16wt%Cr Model Alloys

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