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  1. 1001
    Niobium pentoxide: a promising surface-enhanced Raman scattering active semiconductor substrate
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  2. 1002
    Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg
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  3. 1003
    Discovering the building blocks of atomic systems using machine learning: application to grain boundaries
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  4. 1004
    Effective mass and Fermi surface complexity factor from ab initio band structure calculations
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  5. 1005
    Effect of nonlinear and noncollinear transformation strain pathways in phase-field modeling of nucleation and growth during martensite transformation
    por Pengyang Zhao, Chen Shen, Ju Li, Yunzhi Wang
    Publicado 2017
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  6. 1006
    Understanding and designing magnetoelectric heterostructures guided by computation: progresses, remaining questions, and perspectives
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  7. 1007
    A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials
    por Yulan Li, Shenyang Hu, Xin Sun, Marius Stan
    Publicado 2017
    Materias: “...Computer software...”
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  8. 1008
    Continuum understanding of twin formation near grain boundaries of FCC metals with low stacking fault energy
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  9. 1009
    A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts
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  10. 1010
    A multiscale polymerization framework towards network structure and fracture of double-network hydrogels
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  11. 1011
    Phase-field model of precipitation processes with coherency loss
    por Tian-Le Cheng, You-Hai Wen
    Publicado 2021
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  12. 1012
    Shear induced deformation twinning evolution in thermoelectric InSb
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  13. 1013
    Autonomous reinforcement learning agent for chemical vapor deposition synthesis of quantum materials
    Materias: “...Computer software...”
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  14. 1014
    Artificial generation of representative single Li-ion electrode particle architectures from microscopy data
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  15. 1015
    Machine learning and evolutionary prediction of superhard B-C-N compounds
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  16. 1016
    Computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells
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  17. 1017
    Environmental screening and ligand-field effects to magnetism in CrI3 monolayer
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  18. 1018
    Multi-objective parametrization of interatomic potentials for large deformation pathways and fracture of two-dimensional materials
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  19. 1019
    A convolutional neural network for defect classification in Bragg coherent X-ray diffraction
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  20. 1020
    A systematic approach to generating accurate neural network potentials: the case of carbon
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