Publications
Journal Article (365)
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1.Journal Articlepyiron: An integrated development environment for computational materials sciences. Computational Materials Science 163, pp. 24 - 36 (2019)
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2.Journal ArticleUltrastrong Medium‐Entropy Single‐Phase Alloys Designed via Severe Lattice Distortion. Advanced Materials 31, 1807142 (2019)
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3.Journal ArticleDAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale. Computational Materials Science 158, pp. 420 - 478 (2019)
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4.Journal ArticleDiscovery of Elusive K4O6, a Compound Stabilized by Configurational Entropy of Polarons. Angewandte Chemie 58 (1), pp. 149 - 153 (2019)
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5.Journal ArticleEngineering atomic-level complexity in high-entropy and complex concentrated alloys. Nature Communications 10, 2090 (2019)
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6.Journal ArticleSegregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper. Physical Review Letters 121, 255502 (2018)
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7.Journal ArticleBulk nanocrystalline gamma magnesium hydride with low dehydrogenation temperature stabilized by plastic straining via high-pressure torsion. Scripta Materialia 157, pp. 54 - 57 (2018)
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8.Journal ArticleA machine learning approach to model solute grain boundary segregation. npj Computational Materials 4 (1), 64 (2018)
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9.Journal ArticleDislocation slip transmission through a coherent Σ3{111} copper twin boundary: Strain rate sensitivity, activation volume and strength distribution function. Acta Materialia 161, pp. 412 - 419 (2018)
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10.Journal ArticleDIST: A dislocation-simulation toolkit. Computer Physics Communications 233, pp. 44 - 50 (2018)
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11.Journal ArticleRole of disorder when upscaling magnetocaloric Ni–Co–Mn–Al Heusler alloys from thin films to ribbons. Scientific Reports 8 (1), 9147 (2018)
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12.Journal ArticleAnomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study. Physical Review Letters 121 (12), 125902 (2018)
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13.Journal ArticleResolving the debated atomic structure of the metastable cubic SiNx tissue phase in nanocomposites with TiN. Physical Review Materials 2 (9), 093608 (2018)
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14.Journal Article110 planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials. Physical Review Materials 2 (9), 093606 (2018)
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15.Journal ArticleAssessing the SCAN functional for itinerant electron ferromagnets. Physical Review B 98 (9), 094413 (2018)
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16.Journal ArticleLattice relaxations in disordered Fe-based materials in the paramagnetic state from first principles. Physical Review B 98 (6), 064105 (2018)
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17.Journal ArticleImpact of chemical fluctuations on stacking fault energies of CrCoNi and CrMnFeCoNi high entropy alloys from first principles. Entropy 20 (9), 655 (2018)
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18.Journal ArticleCoupling Phenomena in Magnetocaloric Materials. Energy Technology 6 (8), pp. 1429 - 1447 (2018)
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19.Journal ArticlePrecipitate-induced nonlinearities of diffusion along grain boundaries in Al-based alloys. Physical Review Materials 2 (7), 073801 (2018)
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20.Journal ArticleStrain-Induced Asymmetric Line Segregation at Faceted Si Grain Boundaries. Physical Review Letters 121 (015702), 015702, pp. 1 - 5 (2018)
