Publications

Found 32 results
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Journal Article
K.A. See, M. Leskes, J.M. Griffin, S. Britto, P.D. Matthews, A. Emly, A. Van der Ven, D.S. Wright, A.J. Morris, C.P. Grey et al. "Ab Initio Structure Search and in Situ 7Li NMR Studies of Discharge Products in the Li–S Battery System." Journal of the American Chemical Society 136 (2014): 16368-16377.
K.A. See, M. Leskes, J.M. Griffin, S. Britto, P.D. Matthews, A. Emly, A. Van der Ven, D.S. Wright, A.J. Morris, C.P. Grey et al. "Ab Initio Structure Search and in Situ 7Li NMR Studies of Discharge Products in the Li–S Battery System." Journal of the American Chemical Society 136 (2014): 16368-16377.
Kim, Sung Joo, Donghee Chang, Kui Zhang, George Graham, Anton Van der Ven, and Xiaoqing Pan. "Accordion Strain Accommodation Mechanism within the Epitaxially Constrained Electrode." ACS Energy Letters 3 (2018).
G.H. Teichert, N.S.H. Gunda, S. Rudraraju, A.R. Natarajan, B. Puchala, K. Garikipati, and A. Van der Ven. "A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations." Computational Materials Science 128 (2017): 127-139.
G.H. Teichert, N.S.H. Gunda, S. Rudraraju, A.R. Natarajan, B. Puchala, K. Garikipati, and A. Van der Ven. "A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations." Computational Materials Science 128 (2017): 127-139.
D. Chang, H. Huo, K.E. Johnston, M. Ménétrier, L. Monconduit, C.P. Grey, and A. Van der Ven. "Elucidating the origins of phase transformation hysteresis during electrochemical cycling of Li–Sb electrodes." Journal of Materials Chemistry A 3 (2015): 18928-18943.
Gunda, N. S. Harsha, and Anton Van der Ven. "First-principles insights on phase stability of titanium interstitial alloys." Physical Review Materials 2 (2018).
Decolvenaere, Elizabeth, Michael Gordon, Ram Seshadri, and Anton Van der Ven. "First-principles investigation of competing magnetic interactions in (Mn, Fe) Ru 2 Sn Heusler solid solutions." Physical Review B 96 (2017): 165109.
N.M. Trease, I.D. Seymour, M.D. Radin, Haodong Liu, Hao Liu, S. Hy, N. Chernova, P. Parikh, A. Devaraj, K.M. Wiaderek et al. "Identifying the Distribution of Al3+ in LiNi0.8Co0.15Al0.05O2." Chemistry of Materials 28 (2016): 8170-8180.
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).
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).
B. Li, M.B. Katz, Y. Duan, X. Du, K. Zhang, L. Chen, A. Van der Ven, G.W. Graham, and X. Pan. "A Joint Theoretical and Experimental Study of Phase Equilibria and Evolution in Pt-Doped Calcium Titanate under Redox Conditions." Chemistry of Materials 27 (2015): 18-28.
Teichert, G. H., A. R. Natarajan, A. Van der Ven, and K. Garikipati. "Machine learning materials physics: Integrable deep neural networks enable scale bridging by learning free energy functions." Computer Methods in Applied Mechanics and Engineering 353, no. 15 (2019).
S. Rudraraju, A. Van der Ven, and K. Garikipati. "Mechanochemical spinodal decomposition: a phenomenological theory of phase transformations in multi-component, crystalline solids." npj Computational Materials 2 (2016): 16012.
T. Jiang, S. Rudraraju, A. Roy, A. Van der Ven, K. Garikipati, and M.L. Falk. "Multiphysics Simulations of Lithiation-Induced Stress in Li1+ x Ti2O4 Electrode Particles." The Journal of Physical Chemistry C 120 (2016): 27871-27881.
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).
Casas-Cabanas, Montse, Maxwell D. Radin, Jongsik Kim, Clare P. Grey, Anton Van der Ven, and Rosa M. Palacin. "The nickel battery positive electrode revisited: stability and structure of the beta-NiOOH phase." Journal of Materials Chemistry A 6 (2018).
J.G. Goiri, and A. Van der Ven. "Phase and structural stability in Ni-Al systems from first principles." Physical Review B 94 (2016): 094111.
Faenza, N. V., N. Pereira, D. M. Halat, J. Vinckeviciute, L. Bruce, M. Radin, P. Mukherjee, F. Badway, A. Halajko, F. Cosandey et al. "Phase Evolution and Degradation Modes of R3̅m LixNi1–y–zCoyAlzO2 Electrodes Cycled Near Complete Delithiation." Chemistry of Materials (2018).
Goiri, Jon Gabriel, and Anton Van der Ven. "Recursive alloy Hamiltonian construction and its application to the Ni-Al-Cr system." Acta Materialia (2018).
Gunda, N. S. Harsha, B. Puchala, and A. Van der Ven. "Resolving phase stability in the Ti-O binary with first-principles statistical mechanics methods." Physical Review Materials 2 (2018).
Lebens-Higgins, Z. W., N. V. Faenza, M. D. Radin, H. Liu, S. Sallis, J. Rana, J. Vinckeviciute, P. J. Reeves, M. J. Zuba, F. Badway et al. "Revisiting the charge compensation mechanisms in LiNi0.8Co0.2-yAlyO2 systems." Materials Horizons (2019).
A. Van der Ven, K. Garikipati, S. Kim, and M. Wagemaker. "The Role of Coherency Strains on Phase Stability in Li x FePO4: Needle Crystallites Minimize Coherency Strain and Overpotential." Journal of the Electrochemical Society 156 (2009): A949-A957.
Goiri, J. G., S. K. Kolli, and A. Van der Ven. "Role of short- and long-range ordering on diffusion in Ni-Al alloys." Physical Review Materials 3 (2019).
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).

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