Publications

Found 141 results
Author Title Type [ Year(Desc)]
Filters: Author is Van der Ven, A  [Clear All Filters]
2020
Kolli, S. K., A. R. Natarajan, J. C. Thomas, T. M. Pollock, and A. Van der Ven. "Discovering hierarchies among intermetallic crystal structures." Physical Review Materials 4 (2020).
Eggeler, Y. M., E. E. Levin, F. Wang, D. A. Kitchaev, A. Van der Ven, R. Seshadri, T. M. Pollock, and D. S. Gianola. "Interfacial structure and strain accommodation in two-phase NbCo1.2Sn Heusler intermetallics." Physical Review Materials 4 (2020).
Natarajan, A. R., and A. Van der Ven. "Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys." NPJ Computational Materials 6 (2020): 80.
Kitchaev, D. A., E. C. Schueller, and A. Van der Ven. "Mapping skyrmion stability in uniaxial lacunar spinel magnets from first principles." Physical Review B 101 (2020).
Hansen, C. J., J. J. Zak, A. J. Martinolich, J. S. Ko, N. H. Bashian, F. Kaboudvand, A. Van der Ven, B. C. Melot, J. N. Weker, and K. A. See. "Multielectron, Cation and Anion Redox in Lithium-Rich Iron Sulfide Cathodes." Journal of the American Chemical Society 142, no. 14 (2020).
Preefer, M. B., M. Saber, Q. Wei, N. H. Bashian, J. D. Bocarsly, W. Zhang, G. Lee, J. Milam-Guerrero, E. S. Howard, R. C. Vincent et al. "NEXT Multielectron Redox and Insulator-to-Metal Transition upon Lithium Insertion in the Fast-Charging, Wadsley-Roth Phase PNb9O25." Chemistry of Materials 32 (2020).
Radin, M. D., J. C. Thomas, and A. Van der Ven. "Order-disorder versus displacive transitions in Jahn-Teller active layered materials." Physical Review Materials 4 (2020).
Kaufman, J. L., and A. Van der Ven. "Ordering and Structural Transformations in Layered KxCrO2 for K-Ion Batteries." Chemistry of Materials 32, no. 15 (2020).
A. Van der Ven, Z. Deng, S. Banerjee, and S. P. Ong. "Rechargeable Alkali-Ion Battery Materials: Theory and Computation." Chemical Reviews 120, no. 14 (2020).
Teichert, G. H., A. R. Natarajan, A. Van der Ven, and K. Garikipati. "Scale bridging materials physics: Active learning workflows and integrable deep neural networks for free energy function representations in alloys." Computer Methods in Applied Mechanics and Engineering 371 (2020).
Schueller, E. C., D. A. Kitchaev, J. L. Zuo, J. D. Bocarsly, J. A. Cooley, A. Van der Ven, S. D. Wilson, and R. Seshadri. "Structural evolution and skyrmionic phase diagram of the lacunar spinel GaMo4Se8." Physical Review Materials 4 (2020).
Gunda, N. S. H., and A. Van der Ven. "Understanding the interactions between interstitial and substitutional solutes in refractory alloys: The case of Ti-Al-O." Acta Materialia 191 (2020).
2021
Kitchaev, D. A., J. Vinckeviciute, and A. Van der Ven. "Delocalized metal-oxygen pi-redox is the origin of anomalous nonhysteretic capacity in Li-ion and Na-ion cathode materials." Journal of the American Chemical Society 143, no. 4 (2021).
Levin, E. E., D. A. Kitchaev, Y. M. Eggeler, J. A. Mayer, P. Behera, D. S. Gianola, A. Van der Ven, T. M. Pollock, and R. Seshadri. "Influence of plastic deformation on the magnetic properties of Heusler MnAu2Al." Physical Review Materials 5 (2021).
Goiri, J. G., and A. Van der Ven. "MultiShifter: Software to generate structural models of exended two-dimensional defects in 3D and 2D crystals." Computational Materials Science 191 (2021).
J. Vinckeviciute, D. A. Kitchaev, and A. Van der Ven. "A two-step oxidation mechanism controlled by Mn migration explains the first-cycle activation behavior of Li2MnO3-based Li-excess materials." Chemistry of Materials (2021).

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