Publications

Found 130 results
Author Title Type [ Year(Desc)]
Filters: Author is A. Van der Ven  [Clear All Filters]
2010
Q. Xu, and A. Van der Ven. "Atomic transport in ordered compounds mediated by local disorder: Diffusion in B 2-Ni x Al 1- x." Physical Review B 81 (2010): 064303.
A. Van der Ven, J.C. Thomas, Q. Xu, and J. Bhattacharya. "Linking the electronic structure of solids to their thermodynamic and kinetic properties." Mathematics and computers in simulation 80 (2010): 1393-1410.
K. Persson, V.A. Sethuraman, L.J. Hardwick, Y. Hinuma, Y.S. Meng, A. Van der Ven, V. Srinivasan, R. Kostecki, and G. Ceder. "Lithium diffusion in graphitic carbon." The journal of physical chemistry letters 1 (2010): 1176-1180.
J. Bhattacharya, and A. Van der Ven. "Phase stability and nondilute Li diffusion in spinel Li 1+ x Ti 2 O 4." Physical Review B 81 (2010): 104304.
H. Kim, M. Kaviany, J.C. Thomas, A. Van der Ven, C. Uher, and B. Huang. "Structural order-disorder transitions and phonon conductivity of partially filled skutterudites." Physical review letters 105 (2010): 265901.
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.
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, H.C. Yu, G. Ceder, and K. Thornton. "Vacancy mediated substitutional diffusion in binary crystalline solids." Progress in Materials Science 55 (2010): 61-105.
2011
Q. Xu, and A. Van der Ven. "The effect of large vacancy concentration on intrinsic and interdiffusion coefficients: A first-principle study of B2-NiAl." Acta Materialia 59 (2011): 1095-1104.
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.
2012
Y. Qi, Q. Xu, and A. Van der Ven. "Chemically induced crack instability when electrodes fracture." Journal of The Electrochemical Society 159 (2012): A1838-A1843.
H. Chi, H. Kim, J.C. Thomas, X. Su, S. Stackhouse, M. Kaviany, A. Van der Ven, X. Tang, and C. Uher. "Configuring pnicogen rings in skutterudites for low phonon conductivity." Physical Review B 86 (2012): 195209.
A. Saracibar, A. Van der Ven, and M.E. Arroyo- de Dompablo. "Crystal structure, energetics, and electrochemistry of Li2FeSiO4 polymorphs from first principles calculations." Chemistry of Materials 24 (2012): 495-503.
A.A. Belak, Y. Wang, and A. Van der Ven. "Kinetics of anatase electrodes: the role of ordering, anisotropy, and shape memory effects." Chemistry of Materials 24 (2012): 2894-2898.
H.C. Yu, A. Van der Ven, and K. Thornton. "Simulations of the Kirkendall-effect-induced deformation of thermodynamically ideal binary diffusion couples with general geometries." Metallurgical and Materials Transactions A 43 (2012): 3481-3500.
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.
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.
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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