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Mechanical behavior of high entropy carbide (HfTaZrTi)C and (HfTaZrNb)C under high pressure: Ab initio study.
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- International Journal of Quantum Chemistry, 2021, v. 121, n. 5, p. 1, doi. 10.1002/qua.26509
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Quantum scattering calculation for reaction Br + H<sub>2</sub> on two potential energy surfaces.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 3, p. 657, doi. 10.1002/qua.21175
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- Article
Possible new metastable MoGaC and its phase transition under pressure: a density functional prediction.
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- Journal of Materials Science, 2016, v. 51, n. 18, p. 8452, doi. 10.1007/s10853-016-0105-3
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Elastic properties of random L1-Al(ScTM) alloys from first-principle SQSs calculations.
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- Journal of Materials Science, 2012, v. 47, n. 8, p. 3793, doi. 10.1007/s10853-011-6233-x
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Structural and mechanical properties of ternary MgCaSi phase: A study by density functional theory.
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- Journal of Chemical Research, 2020, v. 44, n. 1/2, p. 50, doi. 10.1177/1747519819885479
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- Article
Novel elastic evolution of carbide Mo2Ga2C under pressure: Ab initio theoretical investigation.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2019, v. 33, n. 30, p. N.PAG, doi. 10.1142/S0217979219503582
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Lattice distortion, mechanical and thermodynamic properties of (TiZrHf)C and (TiZrHf)N ceramics.
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- Applied Physics A: Materials Science & Processing, 2023, v. 129, n. 10, p. 1, doi. 10.1007/s00339-023-06983-6
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Stacking fault energy of basal plane for hexagonal closed-packed medium entropy alloy ZrHfTi: Ab initio prediction.
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- Applied Physics A: Materials Science & Processing, 2021, v. 127, n. 9, p. 1, doi. 10.1007/s00339-021-04835-9
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Correlation between mechanical properties and valence electron concentration for NbTiZrM (M = Hf, Ta, W) refractory high entropy alloys: an ab initio study.
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- Applied Physics A: Materials Science & Processing, 2021, v. 127, n. 5, p. 1, doi. 10.1007/s00339-021-04449-1
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Influence of Local Lattice Distortion on Elastic Properties of Hexagonal Close‐Packed TiZrHf and TiZrHfSc Refractory Alloys.
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- Physica Status Solidi (B), 2021, v. 258, n. 7, p. 1, doi. 10.1002/pssb.202100025
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Thermodynamic Properties of W<sub>x</sub>(TaTiVCr)<sub>1−x</sub> High‐Entropy(‐Like) Alloy and Influence of Tungsten Content.
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- Physica Status Solidi (B), 2019, v. 256, n. 11, p. N.PAG, doi. 10.1002/pssb.201800741
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Ab Initio Prediction of Mechanical and Electronic Properties of Ultrahigh Temperature High‐Entropy Ceramics (Hf<sub>0.2</sub>Zr<sub>0.2</sub>Ta<sub>0.2</sub>M<sub>0.2</sub>Ti<sub>0.2</sub>)B<sub>2</sub> (M = Nb, Mo, Cr).
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- Physica Status Solidi (B), 2018, v. 255, n. 8, p. 1, doi. 10.1002/pssb.201800011
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〈110〉{111} dislocation core properties in L1<sub>2</sub> Al<sub>3</sub> Sc and Al<sub>3</sub> Mg based on the Peierls- Nabarro model.
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- Physica Status Solidi (B), 2013, v. 250, n. 9, p. 1825, doi. 10.1002/pssb.201349022
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Mechanical properties of L1<sub>2</sub> type Al<sub>3</sub>X (X = Mg, Sc, Zr) from first-principles study.
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- Physica Status Solidi (B), 2012, v. 249, n. 8, p. 1510, doi. 10.1002/pssb.201248011
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Effects of Y and Zn atoms on the elastic properties of Mg solid solution from first-principles calculations.
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- Physica Status Solidi (B), 2011, v. 248, n. 12, p. 2809, doi. 10.1002/pssb.201147247
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Elastic properties and electronic structures of MgCe intermetallic compounds from first-principles calculations.
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- Physica Status Solidi (B), 2011, v. 248, n. 9, p. 2097, doi. 10.1002/pssb.201046570
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Theoretical study of the CsMgH<sub>3</sub>, Cs<sub>2</sub>MgH<sub>4</sub> and Cs<sub>4</sub>Mg<sub>3</sub>H<sub>10</sub> complex hydrides from first-principles.
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- Physica Status Solidi (B), 2008, v. 245, n. 12, p. 2749, doi. 10.1002/pssb.200743355
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