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NMR Crystallography: Evaluation of Hydrogen Positions in Hydromagnesite by <sup>13</sup>C{<sup>1</sup>H} REDOR Solid‐State NMR and Density Functional Theory Calculation of Chemical Shielding Tensors.
- Published in:
- Angewandte Chemie, 2019, v. 131, n. 13, p. 4254, doi. 10.1002/ange.201813306
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- Publication type:
- Article
Theory-guided design of high-entropy alloys with enhanced strength-ductility synergy.
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- Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-38111-6
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- Publication type:
- Article
Anomalous size effect on yield strength enabled by compositional heterogeneity in high-entropy alloy nanoparticles.
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- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-30524-z
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- Article
Diffuse Electron Diffraction Intensities in Concentrated Solid Solutions Do Not Necessarily Come from Short-range Order.
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- 2023
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- Abstract
In-situ TEM Deformation of High Entropy Alloys.
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- 2023
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- Abstract
Elucidating the Role of Cr Migration in Ni-Cr Exposed to Molten FLiNaK via STEM-Based Methods.
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- 2023
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- Abstract
Tacking Directional Movement of Nanomotors with Liquid Cell Electron Microscopy.
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- 2022
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- Abstract
4D-STEM Imaging of nanostructural heterogeneities in Ni-20Cr after corrosion in molten salt.
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- 2021
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- Abstract
In situ observations and measurements of plastic deformation, phase transformations and fracture with 4D-STEM.
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- 2021
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- Abstract
4D-STEM Imaging of nanostructural heterogeneities in Ni-20Cr after corrosion in molten salt.
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- 2021
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- Abstract
In situ observations and measurements of plastic deformation, phase transformations and fracture with 4D-STEM.
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- 2021
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- Abstract
Imaging Short-range Order and Extracting 3-D Strain Tensor Using Energy-filtered 4D-STEM Techniques.
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- 2020
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- Abstract
Advanced Electron Microscopy Characterization of Intergranular Corrosion in Ni-20Cr Alloy Under Molten Salt Environment.
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- 2020
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- Publication type:
- Abstract
Imaging Short-range Order and Extracting 3-D Strain Tensor Using Energy-filtered 4D-STEM Techniques.
- Published in:
- 2020
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- Publication type:
- Abstract
Advanced Electron Microscopy Characterization of Intergranular Corrosion in Ni-20Cr Alloy Under Molten Salt Environment.
- Published in:
- 2020
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- Publication type:
- Abstract
Elimination of oxygen sensitivity in α-titanium by substitutional alloying with Al.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-26374-w
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- Publication type:
- Article
Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-25134-0
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- Publication type:
- Article
Corrigendum: Chemical ordering in substituted fluorite oxides: a computational investigation of Ho<sub>2</sub>Zr<sub>2</sub>O<sub>7</sub> and RE<sub>2</sub>Th<sub>2</sub>O<sub>7</sub> (RE = Ho, Y, Gd, Nd, La).
- Published in:
- Scientific Reports, 2017, p. 42380, doi. 10.1038/srep42380
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- Publication type:
- Article
Chemical ordering in substituted fluorite oxides: a computational investigation of Ho<sub>2</sub>Zr<sub>2</sub>O<sub>7</sub> and RE<sub>2</sub>Th<sub>2</sub>O<sub>7</sub> (RE=Ho, Y, Gd, Nd, La).
- Published in:
- Scientific Reports, 2016, p. 38772, doi. 10.1038/srep38772
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- Publication type:
- Article
Origin and Quenching of Novel ultraviolet and blue emission in NdGaO3: Concept of Super-Hydrogenic Dopants.
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- Scientific Reports, 2016, p. 36352, doi. 10.1038/srep36352
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- Publication type:
- Article
A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds.
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- Scientific Reports, 2016, p. 34256, doi. 10.1038/srep34256
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- Publication type:
- Article
Second-Nearest-Neighbor Correlations from Connection of Atomic Packing Motifs in Metallic Glasses and Liquids.
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- Scientific Reports, 2015, v. 5, n. 1, p. 17429, doi. 10.1038/srep17429
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- Publication type:
- Article
Ferritic Alloys with Extreme Creep Resistance via Coherent Hierarchical Precipitates.
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- Scientific Reports, 2015, p. 16327, doi. 10.1038/srep16327
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- Publication type:
- Article
Rejuvenation as the origin of planar defects in the CrCoNi medium entropy alloy.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-45696-z
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- Publication type:
- Article
Rejuvenation as the origin of planar defects in the CrCoNi medium entropy alloy.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-45696-z
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- Publication type:
- Article
Direct measurement of nanostructural change during in situ deformation of a bulk metallic glass.
- Published in:
- Nature Communications, 2019, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41467-019-10416-5
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- Article
Computational Materials Science and Engineering Education: An Updated Survey of Trends and Needs.
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- JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2018, v. 70, n. 9, p. 1644, doi. 10.1007/s11837-018-2989-7
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- Article
Computational Materials Discovery and Design.
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- 2014
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- Publication type:
- Editorial
Computational materials science and engineering education: A survey of trends and needs.
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- JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2009, v. 61, n. 10, p. 12, doi. 10.1007/s11837-009-0142-3
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- Publication type:
- Article
From Atoms to Dendrites.
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- JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2004, v. 56, n. 4, p. 49, doi. 10.1007/s11837-004-0073-y
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- Publication type:
- Article
The effect of Cr alloying on defect migration at Ni grain boundaries.
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- Journal of Materials Science, 2022, v. 57, n. 23, p. 10499, doi. 10.1007/s10853-021-06590-x
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- Publication type:
- Article
High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications.
- Published in:
- NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01015-6
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- Publication type:
- Article
Realistic magnetic thermodynamics by local quantization of a semiclassical Heisenberg model.
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- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00875-8
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- Publication type:
- Article
Modeling antiphase boundary energies of Ni<sub>3</sub>Al-based alloys using automated density functional theory and machine learning.
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- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00755-1
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- Publication type:
- Article
Tunable and low-loss correlated plasmons in Mott-like insulating oxides.
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- Nature Communications, 2017, v. 8, n. 5, p. 15271, doi. 10.1038/ncomms15271
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- Publication type:
- Article
Universal structural parameter to quantitatively predict metallic glass properties.
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- Nature Communications, 2016, v. 7, n. 12, p. 13733, doi. 10.1038/ncomms13733
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- Publication type:
- Article
Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries.
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- Nature Communications, 2014, v. 5, n. 3, p. 3529, doi. 10.1038/ncomms4529
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- Publication type:
- Article
Structural phase transformations in metallic grain boundaries.
- Published in:
- Nature Communications, 2013, v. 4, n. 5, p. 1899, doi. 10.1038/ncomms2919
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- Publication type:
- Article
NMR Crystallography: Evaluation of Hydrogen Positions in Hydromagnesite by <sup>13</sup>C{<sup>1</sup>H} REDOR Solid‐State NMR and Density Functional Theory Calculation of Chemical Shielding Tensors.
- Published in:
- Angewandte Chemie International Edition, 2019, v. 58, n. 13, p. 4210, doi. 10.1002/anie.201813306
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- Publication type:
- Article
The structure and chemistry of the TiO[sub 2]-rich surface of SrTiO[sub 3] (001).
- Published in:
- Nature, 2002, v. 419, n. 6902, p. 55, doi. 10.1038/nature01010
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- Publication type:
- Article
Grain boundary effects in high-temperature liquid-metal dealloying: a multi-phase field study.
- Published in:
- NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01076-7
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- Publication type:
- Article
Modern Developments in Multiphysics Materials Simulations.
- Published in:
- Physica Status Solidi (B), 2008, v. 245, n. 12, p. 2617, doi. 10.1002/pssb.200840539
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- Publication type:
- Article
Three-State Ferroelastic Switching and Large Electromechanical Responses in PbTiO<sub>3</sub> Thin Films.
- Published in:
- Advanced Materials, 2017, v. 29, n. 37, p. n/a, doi. 10.1002/adma.201702069
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- Publication type:
- Article
Solution-Processed Tin-Based Perovskite for Near-Infrared Lasing.
- Published in:
- Advanced Materials, 2016, v. 28, n. 37, p. 8191, doi. 10.1002/adma.201601418
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- Publication type:
- Article
Lead-Free Halide Perovskite Solar Cells with High Photocurrents Realized Through Vacancy Modulation.
- Published in:
- Advanced Materials, 2014, v. 26, n. 41, p. 7122, doi. 10.1002/adma.201401991
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- Publication type:
- Article
Dipolar cations confer defect tolerance in wide-bandgap metal halide perovskites.
- Published in:
- Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-05531-8
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- Publication type:
- Article
Cover Feature: Resolving the Chemical Formula of Nesquehonite via NMR Crystallography, DFT Computation, and Complementary Neutron Diffraction (Chem. Eur. J. 5/2023).
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 5, p. 1, doi. 10.1002/chem.202300007
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- Publication type:
- Article
Resolving the Chemical Formula of Nesquehonite via NMR Crystallography, DFT Computation, and Complementary Neutron Diffraction.
- Published in:
- Chemistry - A European Journal, 2023, v. 29, n. 5, p. 1, doi. 10.1002/chem.202203052
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- Publication type:
- Article
Theoretical prediction of high melting temperature for a Mo–Ru–Ta–W HCP multiprincipal element alloy.
- Published in:
- NPJ Computational Materials, 2021, v. 7, n. 1, p. 1, doi. 10.1038/s41524-020-00473-6
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- Publication type:
- Article
Ab initio modeling of the energy landscape for screw dislocations in body-centered cubic high-entropy alloys.
- Published in:
- NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-00377-5
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- Publication type:
- Article