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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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Hybrid Cellular Automata Modeling Reveals the Effects of Glucose Gradients on Tumour Spheroid Growth

Cancers, 2023-11, Vol.15 (23), p.5660

2023

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Editorial: Computational Defect Properties

Frontiers in materials, 2021-10, Vol.8

2021

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An object kinetic Monte Carlo model for the microstructure evolution of neutron-irradiated reactor pressure vessel steels

Physica status solidi. A, Applications and materials science, 2016-11, Vol.213 (11), p.2974-2980

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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Non-invasive Brain Stimulation in Pediatric Migraine: A Perspective From Evidence in Adult Migraine

Frontiers in neurology, 2019-04, Vol.10, p.364

2019

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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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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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Solubility and vacancy-mediated interdiffusion in the Zr-Nb-Cr system

Journal of nuclear materials, 2021, Vol.548

2021

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Development of a solute and defect concentration dependant Ising model for the study of transmutation induced segregation in neutron irradiated W–(Re, Os) systems

Journal of physics. Condensed matter, 2021-11, Vol.33 (47), p.475902

2021

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Solubility and vacancy-mediated inter-diffusion in the Zr-Nb-Cr system

Journal of nuclear materials, 2021-05, Vol.548, p.152867, Article 152867

2021

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The effect of rhenium on the diffusion of small interstitial clusters in tungsten

Computational materials science, 2020-05, Vol.177, p.109580, Article 109580

2020

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Compatibility of UN with refractory metals (V, Nb, Ta, Cr, Mo, and W): an $ab\ initio$ approach to interface reactions and diffusion behavior

Journal of nuclear materials, 2022, Vol.560

2022

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Stability and mobility of small vacancy–solute complexes in Fe–MnNi and dilute Fe–X alloys: A kinetic Monte Carlo study

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2015-06, Vol.352, p.61-66

2015

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Semi-supervised generative approach to chemical disorder: application to point-defect formation in uranium-plutonium mixed oxides

Physical chemistry chemical physics : PCCP, 2023-08, Vol.25 (34), p.2369-238

2023

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Mass-transport properties of ternary Fe(C,O) alloys revealed by multicomponent cluster synergies

Physical review materials, 2020-02, Vol.4 (2), Article 020401

2020

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Elastic dipole tensors and relaxation volumes of point defects in concentrated random magnetic Fe-Cr alloys

Computational materials science, 2021-06, Vol.194, p.110435, Article 110435

2021

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Impact of the local microstructure fluctuations on radiation-induced segregation in dilute Fe-Ni and Ni-Ti model alloys: A combined modeling and experimental analysis

Acta materialia, 2022-02, Vol.225, p.117531, Article 117531

2022

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Zonal Intratumoral Delivery of Nanoparticles Guided by Surface Functionalization

Langmuir, 2022-11, Vol.38 (45), p.13983-13994

2022

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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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Compatibility of UN with refractory metals (V, Nb, Ta, Cr, Mo and W): An ab initio approach to interface reactions and diffusion behavior

Journal of nuclear materials, 2022-03, Vol.560, p.153482, Article 153482

2022

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Advanced atomistic models for radiation damage in Fe-based alloys: Contributions and future perspectives from artificial neural networks

Computational materials science, 2018-06, Vol.148, p.116-130

2018

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A DFT-driven multifidelity framework for constructing efficient energy models for atomic-scale simulations

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2020-11, Vol.483, p.15-21

2020

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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

Hybrid Cellular Automata Modeling Reveals the Effects of Glucose Gradients on Tumour Spheroid Growth

Editorial: Computational Defect Properties

An object kinetic Monte Carlo model for the microstructure evolution of neutron-irradiated reactor pressure vessel steels

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

Non-invasive Brain Stimulation in Pediatric Migraine: A Perspective From Evidence in Adult Migraine

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

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

Solubility and vacancy-mediated interdiffusion in the Zr-Nb-Cr system

Development of a solute and defect concentration dependant Ising model for the study of transmutation induced segregation in neutron irradiated W–(Re, Os) systems

Solubility and vacancy-mediated inter-diffusion in the Zr-Nb-Cr system

The effect of rhenium on the diffusion of small interstitial clusters in tungsten

Compatibility of UN with refractory metals (V, Nb, Ta, Cr, Mo, and W): an $ab\ initio$ approach to interface reactions and diffusion behavior

Stability and mobility of small vacancy–solute complexes in Fe–MnNi and dilute Fe–X alloys: A kinetic Monte Carlo study

Semi-supervised generative approach to chemical disorder: application to point-defect formation in uranium-plutonium mixed oxides

Mass-transport properties of ternary Fe(C,O) alloys revealed by multicomponent cluster synergies

Elastic dipole tensors and relaxation volumes of point defects in concentrated random magnetic Fe-Cr alloys

Impact of the local microstructure fluctuations on radiation-induced segregation in dilute Fe-Ni and Ni-Ti model alloys: A combined modeling and experimental analysis

Zonal Intratumoral Delivery of Nanoparticles Guided by Surface Functionalization

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

Compatibility of UN with refractory metals (V, Nb, Ta, Cr, Mo and W): An ab initio approach to interface reactions and diffusion behavior

Advanced atomistic models for radiation damage in Fe-based alloys: Contributions and future perspectives from artificial neural networks

A DFT-driven multifidelity framework for constructing efficient energy models for atomic-scale simulations

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