Publications

Found 206 results
Author Title Type [ Year(Asc)]
2015
M.H. Chen, B. Puchala, and A. Van der Ven. "High-temperature stability of δ′-ZrO." Calphad 51 (2015): 292-298.
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.
A. Emly, and A. Van der Ven. "Mg Intercalation in Layered and Spinel Host Crystal Structures for Mg Batteries." Inorganic chemistry 54 (2015): 4394-4402.
Y.S. Yu, C. Kim, Y. Liu, A. Van der Ven, Y.S. Meng, R. Kostecki, and J. Cabana. "Nonequilibrium pathways during electrochemical phase transformations in single crystals revealed by dynamic chemical imaging at nanoscale resolution." Advanced Energy Materials 5 (2015).
A. Page, C. Uher, P.F. Poudeu, and A. Van der Ven. "Phase separation of full-Heusler nanostructures in half-Heusler thermoelectrics and vibrational properties from first-principles calculations." Physical Review B 92 (2015): 174102.
R.K. Rhein, P.C. Dodge, M.H. Chen, M.S. Titus, T.M. Pollock, and A. Van der Ven. "Role of vibrational and configurational excitations in stabilizing the L 1 2 structure in Co-rich Co-Al-W alloys." Physical Review B 92 (2015): 174117.
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.
2014
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.
L. Barnard, G.A. Young, B. Swoboda, S. Choudhury, A. Van der Ven, D. Morgan, and J.D. Tucker. "Atomistic modeling of the order–disorder phase transformation in the Ni 2 Cr model alloy." Acta Materialia 81 (2014): 258-271.
H.C. Yu, C. Ling, J. Bhattacharya, J.C. Thomas, K. Thornton, and A. Van der Ven. "Designing the next generation high capacity battery electrodes." Energy & Environmental Science 7 (2014): 1760-1768.
J.C. Thomas, and A. Van der Ven. "Elastic properties and stress-temperature phase diagrams of high-temperature phases with low-temperature lattice instabilities." Physical Review B 90 (2014): 224105.
J. Liu, D. Chang, P. Whitfield, Y. Janssen, X. Yu, Y. Zhou, J. Bai, J. Ko, K.W. Nam, L. Wu et al. "Ionic conduction in cubic Na3TiP3O9N, a secondary Na-ion battery cathode with extremely low volume change." Chemistry of Materials 26 (2014): 3295-3305.
H. Chi, H. Kim, J.C. Thomas, G. Shi, K. Sun, M. Abeykoon, E.S. Bozin, X. Shi, Q. Li, X. Shi et al. "Low-temperature structural and transport anomalies in Cu 2 Se." Physical Review B 89 (2014): 195209.
J.C. Thomas, J.M. Millunchick, A. Van der Ven, and N.A. Modine. "Phase stability analysis of the InAs/GaAs (001) wetting layer from first principles." Physical Review B 89 (2014): 205306.
R.A. Enrique, and A. Van der Ven. "Solute embrittlement of SiC." Journal of Applied Physics 116 (2014): 113504.
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.
K. Zhang, M.B. Katz, B. Li, S.J. Kim, X. Du, X. Hao, J.R. Jokisaari, S. Zhang, G.W. Graham, A. Van der Ven et al. "Water-Free Titania–Bronze Thin Films with Superfast Lithium-Ion Transport." Advanced Materials 26 (2014): 7365-7370.
2013
J.C. Thomas, A. Van der Ven, J.M. Millunchick, and N.A. Modine. "Considerations for surface reconstruction stability prediction on GaAs (001)." Physical Review B 87 (2013): 075320.
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.
V. Etacheri, Y. Kuo, A. Van der Ven, and B.M. Bartlett. "Mesoporous TiO 2–B microflowers composed of (1 1 [combining macron] 0) facet-exposed nanosheets for fast reversible lithium-ion storage." Journal of Materials Chemistry A 1 (2013): 12028-12032.
A. Emly, E. Kioupakis, and A. Van der Ven. "Phase stability and transport mechanisms in antiperovskite Li3OCl and Li3OBr superionic conductors." Chemistry of Materials 25 (2013): 4663-4670.
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. Puchala, and A. Van der Ven. "Thermodynamics of the Zr-O system from first-principles calculations." Physical Review B 88 (2013): 094108.
A. Van der Ven, B. Puchala, and T. Nagase. "Ti-and Zr-based metal-air batteries." Journal of Power Sources 242 (2013): 400-404.
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.

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