Publications

Found 176 results
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A. Duzik, J.C. Thomas, A. Van der Ven, and J.M. Millunchick. "Surface reconstruction stability and configurational disorder on Bi-terminated GaAs (001)." Physical Review B 87 (2013): 035313.
B.C. Han, A. Van der Ven, G. Ceder, and B.J. Hwang. "Surface segregation and ordering of alloy surfaces in the presence of adsorbates." Physical Review B 72 (2005): 205409.
Natarajan, Anirudh Raju, John C. Thomas, Brian Puchala, and Anton Van der Ven. "Symmetry-adapted order parameters and free energies for solids undergoing order-disorder phase transitions." Physical Review B 96 (2017): 134204.
J.C. Thomas, N.A. Modine, J.M. Millunchick, and A. Van der Ven. "Systematic approach for determination of equilibrium atomic surface structure." Physical Review B 82 (2010): 165434.
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E. Decolvenaere, M.J. Gordon, and A. Van der Ven. "Testing predictions from density functional theory at finite temperatures: β 2-like ground states in Co-Pt." Physical Review B 92 (2015): 085119.
H.C. Yu, A. Van der Ven, and K. Thornton. "Theory of grain boundary diffusion induced by the Kirkendall effect." Applied Physics Letters 93 (2008): 091908.
K. Persson, Y. Hinuma, Y.S. Meng, A. Van der Ven, and G. Ceder. "Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations." physical Review B 82 (2010): 125416.
A. Van der Ven, and G. Ceder. "The thermodynamics of decohesion." Acta Materialia 52 (2004): 1223-1235.
A.S. Dalton, A.A. Belak, and A. Van der Ven. "Thermodynamics of lithium in TiO2 (B) from first principles." Chemistry of Materials 24 (2012): 1568-1574.
M. Wagemaker, A. Van der Ven, D. Morgan, G. Ceder, F.M. Mulder, and G.J. Kearley. "Thermodynamics of spinel Li x TiO 2 from first principles." Chemical Physics 317 (2005): 130-136.
B. Puchala, and A. Van der Ven. "Thermodynamics of the Zr-O system from first-principles calculations." Physical Review B 88 (2013): 094108.
S. Rudraraju, A. Van der Ven, and K. Garikipati. "Three-dimensional isogeometric solutions to general boundary value problems of Toupin’s gradient elasticity theory at finite strains." Computer Methods in Applied Mechanics and Engineering 278 (2014): 705-728.
A. Van der Ven, B. Puchala, and T. Nagase. "Ti-and Zr-based metal-air batteries." Journal of Power Sources 242 (2013): 400-404.
Natarajan, A. R., and A. Van der Ven. "Toward an understanding of deformation mechanisms in metallic lithium and sodium from first principles." Chemistry of Materials (2019).
F. Wang, H.C. Yu, M.H. Chen, L. Wu, N. Pereira, K. Thornton, A. Van der Ven, Y. Zhu, G.G. Amatucci, and J. Graetz. "Tracking lithium transport and electrochemical reactions in nanoparticles." Nature communications 3 (2012): 1201.
R.A. Enrique, and A. Van der Ven. "Traction curves for the decohesion of covalent crystals." Applied Physics Letters 110 (2017): 021910.
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).
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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Kaufman, J. L., J. Vinckeviciute, S. Kolli, J. G. Goiri, and A. Van der Ven. "Understanding intercalation compounds for sodium-ion batteries and beyond." Philosophical Transactions of the Royal Society A 377, no. 2152 (2019).
Kaufman, J. L., J. Vinckeviciute, S. Kolli, J. G. Goiri, and A. Van der Ven. "Understanding intercalation compounds for sodium-ion batteries and beyond." Philosophical Transactions of the Royal Society A 377, no. 2152 (2019).
A. Van der Ven, J. Bhattacharya, and A.A. Belak. "Understanding Li diffusion in Li-intercalation compounds." Accounts of chemical research 46 (2013): 1216-1225.
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).
A.R. Natarajan, and A. Van der Ven. "A unified description of ordering in HCP Mg-RE alloys." Acta Materialia 124 (2017): 620-632.
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A. Van der Ven, and G. Ceder. "Vacancies in ordered and disordered binary alloys treated with the cluster expansion." Physical Review B 71 (2005): 054102.
A. Van der Ven, H.C. Yu, G. Ceder, and K. Thornton. "Vacancy mediated substitutional diffusion in binary crystalline solids." Progress in Materials Science 55 (2010): 61-105.

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