UB Paderborn / Katalog / Suche / in CDI

Iron chromium potential to model high-chromium ferritic alloys

Philosophical magazine (Abingdon, England), 2011-04, Vol.91 (12), p.1724-1746

2011

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Interatomic potentials consistent with thermodynamics: The Fe–Cu system

Journal of nuclear materials, 2007-02, Vol.360 (2), p.118-127

2007

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Predicting vacancy migration energies in lattice-free environments using artificial neural networks

Computational materials science, 2014-03, Vol.84, p.217-225

2014

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Numerical prediction of thermodynamic properties of iron–chromium alloys using semi-empirical cohesive models: The state of the art

Journal of nuclear materials, 2009-03, Vol.385 (2), p.268-277

2009

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Issues in the ab-initio assessment of hcp transition metals self-diffusion

Physica. B, Condensed matter, 2012-08, Vol.407 (16), p.3298-3300

2012

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First-principles appraisal of solute ultra-fast diffusion in hcp Zr and Ti

Journal of nuclear materials, 2013-03, Vol.434 (1-3), p.158-161

2013

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Gauge transformations to combine multi-component many-body interatomic potentials

Philosophical magazine letters, 2010-08, Vol.90 (8), p.559-563

2010

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Improved atomistic Monte Carlo models based on ab-initio -trained neural networks: Application to FeCu and FeCr alloys

Physical review. B, 2017-06, Vol.95 (21), p.214117, Article 214117

2017

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Interatomic potential to study plasticity in stainless steels: the FeNiCr model alloy

Modelling and simulation in materials science and engineering, 2011-12, Vol.19 (8), p.085008

2011

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Kinetics versus thermodynamics in materials modeling: The case of the di-vacancy in iron

Philosophical magazine (Abingdon, England), 2010-07, Vol.90 (19), p.2585-2595

2010

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Interatomic potentials for alloys: Fitting concentration dependent properties

Philosophical magazine (Abingdon, England), 2009-03, Vol.89 (8), p.711-725

2009

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Ab initio approach to the effect of Fe on the diffusion in hcp Zr II: The energy barriers

Journal of nuclear materials, 2009-07, Vol.392 (1), p.100-104

2009

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Fe–Ni many-body potential for metallurgical applications

Modelling and simulation in materials science and engineering, 2009-03, Vol.17 (2), p.025010-025010 (13)

2009

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Hydrogen diffusion and trapping in nanocrystalline tungsten

Journal of nuclear materials, 2015-03, Vol.458, p.233-239

2015

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Small interstitials clusters migration in bcc metals: A Molybdenum model

Computational materials science, 2010-06, Vol.48 (4), p.783-789

2010

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Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

Journal of nuclear materials, 2010-11, Vol.406 (1), p.7-18

2010

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Simulations of primary damage in a High Entropy Alloy: Probing enhanced radiation resistance

Acta materialia, 2021-07, Vol.213, p.116951, Article 116951

2021

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Computer simulation of SIA migration in bcc and hcp metals

Journal of nuclear materials, 2000, Vol.276 (1), p.230-234

2000

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A many body potential for α-Zr. Application to defect properties

Journal of nuclear materials, 1999, Vol.264 (1), p.198-205

1999

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Further development of large-scale atomistic modelling techniques for Fe–Cr alloys

Journal of nuclear materials, 2011-02, Vol.409 (2), p.167-175

2011

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Ternary Fe-Cu-Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing

Philosophical magazine (Abingdon, England), 2009-12, Vol.89 (34-36), p.3531-3546

2009

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Search of hydrogen transition states on α-Fe: The monomer adapted to first principles calculations

Physica. B, Condensed matter, 2009-10, Vol.404 (18), p.2880-2882

2009

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The influence of short range order on the thermodynamics of Fe–Cr alloys

Modelling and simulation in materials science and engineering, 2009-03, Vol.17 (2), p.025006-025006 (16)

2009

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A DFT study of H solubility and diffusion in the Fe-Cr system

Computational materials science, 2018-11, Vol.154, p.243-250

2018

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Computer simulation of surface-point defects interaction in hcp metals

Journal of molecular catalysis. A, Chemical, 2001-02, Vol.167 (1), p.165-170

2001

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Iron chromium potential to model high-chromium ferritic alloys

Interatomic potentials consistent with thermodynamics: The Fe–Cu system

Predicting vacancy migration energies in lattice-free environments using artificial neural networks

Numerical prediction of thermodynamic properties of iron–chromium alloys using semi-empirical cohesive models: The state of the art

Issues in the ab-initio assessment of hcp transition metals self-diffusion

First-principles appraisal of solute ultra-fast diffusion in hcp Zr and Ti

Gauge transformations to combine multi-component many-body interatomic potentials

Improved atomistic Monte Carlo models based on ab-initio -trained neural networks: Application to FeCu and FeCr alloys

Interatomic potential to study plasticity in stainless steels: the FeNiCr model alloy

Kinetics versus thermodynamics in materials modeling: The case of the di-vacancy in iron

Interatomic potentials for alloys: Fitting concentration dependent properties

Ab initio approach to the effect of Fe on the diffusion in hcp Zr II: The energy barriers

Fe–Ni many-body potential for metallurgical applications

Hydrogen diffusion and trapping in nanocrystalline tungsten

Small interstitials clusters migration in bcc metals: A Molybdenum model

Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

Simulations of primary damage in a High Entropy Alloy: Probing enhanced radiation resistance

Computer simulation of SIA migration in bcc and hcp metals

A many body potential for α-Zr. Application to defect properties

Further development of large-scale atomistic modelling techniques for Fe–Cr alloys

Ternary Fe-Cu-Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing

Search of hydrogen transition states on α-Fe: The monomer adapted to first principles calculations

The influence of short range order on the thermodynamics of Fe–Cr alloys

A DFT study of H solubility and diffusion in the Fe-Cr system

Computer simulation of surface-point defects interaction in hcp metals

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