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TAF-ID: An international thermodynamic database for nuclear fuels applications

Calphad, 2021-03, Vol.72, p.102212, Article 102212

2021

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Modeling of Ni–Cr–Mo based alloys: Part I—phase stability

Calphad, 2006-03, Vol.30 (1), p.70-87

2006

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Systematic study of stacking fault energies of random Al-based alloys

Acta materialia, 1998-03, Vol.46 (6), p.2215-2221

1998

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Density-functional study of Zr-based actinide alloys: 2. U–Pu–Zr system

Journal of nuclear materials, 2009-08, Vol.393 (1), p.141-145

2009

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Amorphous AlB 2 , AlBC, and AlBN alloys: A first-principles study

Journal of non-crystalline solids, 2022-02, Vol.577, p.121315, Article 121315

2022

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Temperature- and pressure-induced structural transformations in NbN: A first-principles study

Physica. B, Condensed matter, 2023-08, Vol.663, p.414998, Article 414998

2023

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Amorphous AlB2, AlBC, and AlBN alloys: A first-principles study

Journal of non-crystalline solids, 2022-02, Vol.577, Article 121315

2022

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An effect of nitrogen incorporation on the structure and properties of amorphous SiC: First-principles molecular dynamics simulations

Thin solid films, 2022-08, Vol.756, p.139349, Article 139349

2022

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Thermodynamics of SmCo5 compound doped with Fe and Ni: An ab initio study

Journal of alloys and compounds, 2018-10, Vol.765, p.659-663

2018

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Stability and mechanical properties of molybdenum carbides and the Ti–Mo–C solid solutions: A first-principles study

Materials chemistry and physics, 2022-01, Vol.275, p.125178, Article 125178

2022

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Thermodynamics of an empirical potential description of Fe–Cu alloys

Journal of nuclear materials, 2005-02, Vol.336 (2), p.233-242

2005

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Phase diagram, electronic, mechanical and thermodynamic properties of TiB2–ZrB2 solid solutions: A first-principles study

Materials chemistry and physics, 2021-04, Vol.263, p.124340, Article 124340

2021

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Density-functional study of U–Mo and U–Zr alloys

Journal of nuclear materials, 2011-07, Vol.414 (2), p.132-137

2011

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Electron correlation and relativity of the 5f electrons in the U–Zr alloy system

Journal of nuclear materials, 2014-01, Vol.444 (1-3), p.356-358

2014

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First-principles quantum molecular calculations of structural and mechanical properties of TiN/SiNx heterostructures, and the achievable hardness of the nc-TiN/SiNx nanocomposites

Thin solid films, 2015-03, Vol.578 (C), p.83-92

2015

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Phase-field modeling of coring during solidification of Au–Ni alloy using quaternions and CALPHAD input

Acta materialia, 2014-01, Vol.62, p.89-104

2014

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Electronic, thermodynamics and mechanical properties of LaB6 from first-principles

Physica. B, Condensed matter, 2018-02, Vol.531 (C), p.216-222

2018

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First-principles calculations for the mechanical properties of Ti-Nb-B2 solid solutions

Computational materials science, 2017-03, Vol.129 (C), p.82-88

2017

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Thermodynamic re-assessment of the Pu–U system and its application to the ternary Pu–U–Ga system

Journal of nuclear materials, 2014-11, Vol.454 (1-3), p.81-95

2014

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Thermodynamic assessments and inter-relationships between systems involving Al, Am, Ga, Pu, and U

Journal of nuclear materials, 2016-12, Vol.482 (C), p.187-200

2016

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Coexistence of the α and δ phases in an as-cast uranium-rich U–Zr alloy

Journal of nuclear materials, 2013-05, Vol.436 (1-3), p.100-104

2013

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The Pu–U–Am system: An ab initio informed CALPHAD thermodynamic study

Journal of nuclear materials, 2015-03, Vol.458 (C), p.425-441

2015

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Phase diagrams and mechanical properties of TiC-SiC solid solutions from first-principles

Calphad, 2019-09, Vol.66, p.101643, Article 101643

2019

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First-principles study of the Pd–Si system and Pd(001)/SiC(001) hetero-structure

Journal of nuclear materials, 2014-11, Vol.454 (1-3), p.308-314

2014

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Density-functional study of bcc U–Mo, Np–Mo, Pu–Mo, and Am–Mo alloys

Journal of nuclear materials, 2013-03, Vol.434 (1-3), p.31-37

2013

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TAF-ID: An international thermodynamic database for nuclear fuels applications

Modeling of Ni–Cr–Mo based alloys: Part I—phase stability

Systematic study of stacking fault energies of random Al-based alloys

Density-functional study of Zr-based actinide alloys: 2. U–Pu–Zr system

Amorphous AlB 2 , AlBC, and AlBN alloys: A first-principles study

Temperature- and pressure-induced structural transformations in NbN: A first-principles study

Amorphous AlB2, AlBC, and AlBN alloys: A first-principles study

An effect of nitrogen incorporation on the structure and properties of amorphous SiC: First-principles molecular dynamics simulations

Thermodynamics of SmCo5 compound doped with Fe and Ni: An ab initio study

Stability and mechanical properties of molybdenum carbides and the Ti–Mo–C solid solutions: A first-principles study

Thermodynamics of an empirical potential description of Fe–Cu alloys

Phase diagram, electronic, mechanical and thermodynamic properties of TiB2–ZrB2 solid solutions: A first-principles study

Density-functional study of U–Mo and U–Zr alloys

Electron correlation and relativity of the 5f electrons in the U–Zr alloy system

First-principles quantum molecular calculations of structural and mechanical properties of TiN/SiNx heterostructures, and the achievable hardness of the nc-TiN/SiNx nanocomposites

Phase-field modeling of coring during solidification of Au–Ni alloy using quaternions and CALPHAD input

Electronic, thermodynamics and mechanical properties of LaB6 from first-principles

First-principles calculations for the mechanical properties of Ti-Nb-B2 solid solutions

Thermodynamic re-assessment of the Pu–U system and its application to the ternary Pu–U–Ga system

Thermodynamic assessments and inter-relationships between systems involving Al, Am, Ga, Pu, and U

Coexistence of the α and δ phases in an as-cast uranium-rich U–Zr alloy

The Pu–U–Am system: An ab initio informed CALPHAD thermodynamic study

Phase diagrams and mechanical properties of TiC-SiC solid solutions from first-principles

First-principles study of the Pd–Si system and Pd(001)/SiC(001) hetero-structure

Density-functional study of bcc U–Mo, Np–Mo, Pu–Mo, and Am–Mo alloys

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