Works matching DE "INTERATOMIC angles"
Results: 19
Machine learned interatomic potentials using random features.
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- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-021-00685-4
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Atomistic Line Graph Neural Network for improved materials property predictions.
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- NPJ Computational Materials, 2021, v. 7, n. 1, p. 1, doi. 10.1038/s41524-021-00650-1
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Three-Dimensional Architectures Incorporating Stereoregular Donor-Acceptor Stacks.
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- Chemistry - A European Journal, 2013, v. 19, n. 26, p. 8457, doi. 10.1002/chem.201300762
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Stress Concentration Factor of Single-Layered Graphene Sheets Containing Elliptical Vacancies.
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- Journal of Solid Mechanics, 2019, v. 11, n. 3, p. 670, doi. 10.22034/JSM.2019.667250
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Amplification of matter rogue waves and breathers in quasi-two-dimensional Bose-Einstein condensates.
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- European Physical Journal B: Condensed Matter, 2016, v. 89, n. 2, p. 1, doi. 10.1140/epjb/e2015-60936-0
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Euler elastica as a Γ-limit of discrete bending energies of one-dimensional chains of atoms.
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- Mathematics & Mechanics of Solids, 2018, v. 23, n. 7, p. 1104, doi. 10.1177/1081286517707997
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Molecular Dynamics Modeling of the Sliding Performance of an Amorphous Silica Nano-Layer—The Impact of Chosen Interatomic Potentials.
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- Lubricants (2075-4442), 2018, v. 6, n. 2, p. 43, doi. 10.3390/lubricants6020043
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Atomistic Simulations of Pure Tin Based on a New Modified Embedded-Atom Method Interatomic Potential.
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- Metals (2075-4701), 2018, v. 8, n. 11, p. 900, doi. 10.3390/met8110900
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Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K-edge of (creat)<sub>2</sub>CuCl<sub>4</sub>.
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- Journal of Synchrotron Radiation, 2016, v. 23, n. 6, p. 1433, doi. 10.1107/S1600577516014570
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κ-Phase Formation in Fe-Mn-Al-C Austenitic Steels.
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- Steel Research International, 2015, v. 86, n. 10, p. 1161, doi. 10.1002/srin.201400587
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High-order expanded XAFS Debye-Waller factors of HCP crystals based on classical anharmonic correlated Einstein model.
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- Modern Physics Letters B, 2014, v. 28, n. 21, p. -1, doi. 10.1142/S0217984914501747
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Analysis of the crystal lattice instability for cage-cluster systems using the superatom model.
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- Journal of Experimental & Theoretical Physics, 2016, v. 123, n. 3, p. 452, doi. 10.1134/S1063776116070220
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Shear-induced chemical segregation in a Fe-based bulk metallic glass at room temperature.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-92907-4
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Theoretical prediction of the structural, elastic, mechanical and phonon properties of bismuth telluride under pressure.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2015, v. 29, n. 31, p. -1, doi. 10.1142/S0217979215502227
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Impact growth structures of nanoalloys: Atomistic simulation on an immiscible Cu-Ag system.
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- Physica Status Solidi (B), 2015, v. 252, n. 2, p. 365, doi. 10.1002/pssb.201451284
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Large scale supercell calculations for forces around substitutional defects in NiTi.
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- Physica Status Solidi (B), 2014, v. 251, n. 10, p. 2048, doi. 10.1002/pssb.201350406
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Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe<sub>2</sub>As<sub>2</sub> under pressure.
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- Scientific Reports, 2015, p. 9868, doi. 10.1038/srep09868
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First-principles study of point defects at a semicoherent interface.
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- Scientific Reports, 2014, p. 1, doi. 10.1038/srep07567
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Structural transitions in mixed ternary noble gas clusters.
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- Journal of Molecular Modeling, 2013, v. 19, n. 8, p. 3119, doi. 10.1007/s00894-013-1847-3
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