Publications

Found 22 results
Author Title Type [ Year(Asc)]
Filters: Author is Van der Ven, Anton and First Letter Of Title is F  [Clear All Filters]
2025
Ponte, Graciela E. García, Sesha Sai Behara, Euan N. Bassey, Raphaële J. Clément, and Anton Van der Ven. "First-Principles Statistical Mechanics Study of Magnetic Fluctuations and Order–Disorder in the Spinel LiNi0. 5Mn1. 5O4 Cathode." Chemistry of Materials (2025).
2024
Behara, Sesha Sai, Jeremiah Thomas, and Anton Van der Ven. "Fundamental Thermodynamic, Kinetic, and Mechanical Properties of Lithium and Its Alloys." Chemistry of Materials 36 (2024): 7370-7387.
2023
Van der Ven, Anton, Robert M. McMeeking, Raphaële J. Clément, and Krishna Garikipati. "Ferroelastic toughening: Can it solve the mechanics challenges of solid electrolytes?" Current Opinion in Solid State and Materials Science 27 (2023): 101056.
2022
Behara, Sesha Sai, and Anton Van der Ven. "Ferroelectric HfO 2 and the importance of strain." Physical Review Materials 6 (2022): 054403.
Kaufman, Jonas L., and Anton Van der Ven. "First-principles investigation of phase stability in layered Na x CrO 2." Physical Review Materials 6 (2022): 115401.
2019
Bechtel, J. S., J. C. Thomas, and A. Van der Ven. "Finite-temperature simulation of anharmonicity and octahedral tilting transitions in halide perovskites." Physical Review Materials 3, no. 11 (2019).
Vinckeviciute, Julija, Maxwell D. Radin, Nicholas V. Faenza, Glenn G. Amatucci, and Anton Van der Ven. "Fundamental insights about interlayer cation migration in Li-ion electrodes at high states of charge." Journal of Materials Chemistry A (2019).
2018
A. Van der Ven, J. C. Thomas, B. Puchala, and A. R. Natarajan. "First-principles statistical mechanics of multicomponent crystals." Annual Review of Materials Research 48 (2018).
Kolli, S. K., and A. Van der Ven. "First-Principles Study of Spinel MgTiS2 as a Cathode Material." Chemistry of Materials (2018).
Bechtel, J. S., and A. Van der Ven. "First-principles thermodynamics study of phase stability in inorganic halide perovskite solid solutions." Physical Review Materials 2 (2018).
2017
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.
Natarajan, Anirudh Raju, and Anton Van der Ven. "First-principles investigation of phase stability in the Mg-Sc binary alloy." Physical Review B 95 (2017): 214107.
2015
D. Chang, M.H. Chen, and A. Van der Ven. "Factors Contributing to Path Hysteresis of Displacement and Conversion Reactions in Li Ion Batteries." Chemistry of Materials 27 (2015): 7593-7600.
S.R. Lee, A.F. Wright, N.A. Modine, C.C. Battaile, S.M. Foiles, J.C. Thomas, and A. Van der Ven. "First-principles survey of the structure, formation energies, and transition levels of As-interstitial defects in InGaAs." Physical Review B 92 (2015): 045205.
2013
J.C. Thomas, and A. Van der Ven. "Finite-temperature properties of strongly anharmonic and mechanically unstable crystal phases from first principles." Physical Review B 88 (2013): 214111.
2011
J. Bhattacharya, and A. Van der Ven. "First-principles study of competing mechanisms of nondilute Li diffusion in spinel Li x TiS 2." Physical Review B 83 (2011): 144302.
2009
Q. Xu, and A. Van der Ven. "First-principles investigation of migration barriers and point defect complexes in B2–NiAl." Intermetallics 17 (2009): 319-329.
2007
Q. Xu, and A. Van der Ven. "First-principles investigation of metal-hydride phase stability: The Ti-H system." Physical Review B 76 (2007): 064207.
2005
A. Van der Ven, and G. Ceder. "First principles calculation of the interdiffusion coefficient in binary alloys." Physical review letters 94 (2005): 045901.
2001
A. Van der Ven, G. Ceder, M. Asta, and P.D. Tepesch. "First-principles theory of ionic diffusion with nondilute carriers." Physical Review B 64 (2001): 184307.
1998
Van der Ven, Anton, Mehmet K. Aydinol, and Gerbrand Ceder. "First-Principles Evidence for Stage Ordering in Li x CoO2." Journal of The Electrochemical Society 145 (1998): 2149-2155.
A. Van der Ven, M.K. Aydinol, G. Ceder, G. Kresse, and J. Hafner. "First-principles investigation of phase stability in Li x CoO 2." Physical Review B 58 (1998): 2975.