TAF-ID: An international thermodynamic database for nuclear fuels applications von Guéneau, C., Dupin, N., Kjellqvist, L., Geiger, E., Kurata, M., Gossé, S., Corcoran, E., Quaini, A., Hania, R., Smith, A.L., Piro, M.H.A., Besmann, T., Turchi, P.E.A., Dumas, J.C., Welland, M.J., Ogata, T., Lee, B.O., Kennedy, J.R., Adkins, C., Bankhead, M., Costa, D.

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Modeling of Ni–Cr–Mo based alloys: Part I—phase stability von Turchi, P.E.A., Kaufman, L., Liu, Zi-Kui

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Systematic study of stacking fault energies of random Al-based alloys von Schulthess, T.C, Turchi, P.E.A, Gonis, A, Nieh, T.-G

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Density-functional study of Zr-based actinide alloys: 2. U–Pu–Zr system von Landa, A., Söderlind, P., Turchi, P.E.A., Vitos, L., Ruban, A.

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Amorphous AlB 2 , AlBC, and AlBN alloys: A first-principles study von Ivashchenko, V.I., Turchi, P.E.A., Shevchenko, R.V., Gorb, Leonid, Leszczynski, Jerzy

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Temperature- and pressure-induced structural transformations in NbN: A first-principles study von Ivashchenko, V.I., Turchi, P.E.A., Pavlova, N. Yu, Gorb, Leonid, Leszczynski, Jerzy

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Amorphous AlB2, AlBC, and AlBN alloys: A first-principles study von Ivashchenko, V.I., Turchi, P.E.A., Shevchenko, R.V., Gorb, Leonid, Leszczynski, Jerzy

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An effect of nitrogen incorporation on the structure and properties of amorphous SiC: First-principles molecular dynamics simulations von Ivashchenko, V.I., Turchi, P.E.A., Shevchenko, R.V., Gorb, Leonid, Leszczynski, Jerzy, Kozak, A.O.

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Thermodynamics of SmCo5 compound doped with Fe and Ni: An ab initio study von Landa, A., Söderlind, P., Parker, D., Åberg, D., Lordi, V., Perron, A., Turchi, P.E.A., Chouhan, R.K., Paudyal, D., Lograsso, T.A.

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Stability and mechanical properties of molybdenum carbides and the Ti–Mo–C solid solutions: A first-principles study von Ivashchenko, V.I., Turchi, P.E.A., Shevchenko, V.I., Ivashchenko, L.A., Gorb, Leonid, Leszczynski, Jerzy

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Phase diagram, electronic, mechanical and thermodynamic properties of TiB2–ZrB2 solid solutions: A first-principles study von Ivashchenko, V.I., Turchi, P.E.A., Shevchenko, V.I., Mediukh, N.R., Gorb, Leonid, Leszczynski, Jerzy

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Thermodynamics of an empirical potential description of Fe–Cu alloys von Caro, A., Turchi, P.E.A., Caro, M., Lopasso, E.M.

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Density-functional study of U–Mo and U–Zr alloys von Landa, A., Söderlind, P., Turchi, P.E.A.

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Electron correlation and relativity of the 5f electrons in the U–Zr alloy system von Söderlind, P., Sadigh, B., Lordi, V., Landa, A., Turchi, P.E.A.

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Electronic, thermodynamics and mechanical properties of LaB6 from first-principles von Ivashchenko, V.I., Turchi, P.E.A., Shevchenko, V.I., Medukh, N.R., Leszczynski, Jerzy, Gorb, Leonid

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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 von Ivashchenko, V.I., Veprek, S., Argon, A.S., Turchi, P.E.A., Gorb, L., Hill, F., Leszczynski, J.

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Phase-field modeling of coring during solidification of Au–Ni alloy using quaternions and CALPHAD input von Fattebert, J.-L., Wickett, M.E., Turchi, P.E.A.

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First-principles calculations for the mechanical properties of Ti-Nb-B2 solid solutions von Mediukh, N.R., Turchi, P.E.A., Ivashchenko, V.I., Shevchenko, V.I.

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Thermodynamic re-assessment of the Pu–U system and its application to the ternary Pu–U–Ga system von Perron, A., Turchi, P.E.A., Landa, A., Söderlind, P., Ravat, B., Oudot, B., Delaunay, F., Kurata, M.

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Thermodynamic assessments and inter-relationships between systems involving Al, Am, Ga, Pu, and U von Perron, A., Turchi, P.E.A., Landa, A., Oudot, B., Ravat, B., Delaunay, F.

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