Publications

Found 161 results
Author Title [ Type(Desc)] Year
Journal Article
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).
Feng, L., D. Lv, R. K. Rhein, J. G. Goiri, M. S. Titus, A. Van der Ven, T. M. Pollock, and Y. Wang. "Shearing of γ’ particles in Co-base and Co-Ni-base superalloys." Acta Materialia 161 (2018): 99-109.
M.D. Radin, and A. Van der Ven. "Simulating Charge, Spin, and Orbital Ordering: Application to Jahn–Teller Distortions in Layered Transition-Metal Oxides." Chemistry of Materials (2018).
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.
R.A. Enrique, and A. Van der Ven. "Solute embrittlement of SiC." Journal of Applied Physics 116 (2014): 113504.
M.S. Titus, R.K. Rhein, P.B. Wells, P.C. Dodge, G.B. Viswanathan, M.J. Mills, A. Van der Ven, and T.M. Pollock. "Solute segregation and deviation from bulk thermodynamics at nanoscale crystalline defects." Science Advances 2 (2016): e1601796.
Solomon, E. L. S., A. R. Natarajan, A. M. Roy, V. Sundararaghavan, A. Van der Ven, and E. A. Marquis. "Stability and strain-driven evolution of β′ precipitate in Mg-Y alloys." Acta Materialia 166 (2019).
M.D. Radin, and A. Van der Ven. "Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals." Chemistry of Materials 28 (2016): 7898-7904.
J. Vinckeviciute, M.D. Radin, and A. Van der Ven. "Stacking-sequence changes and Na ordering in layered intercalation materials." Chemistry of Materials 28 (2016): 8640-8650.
Schueller, E. C., D. A. Kitchaev, J. L. Zuo, J. D. Bocarsly, J. A. Cooley, A. Van der Ven, S. D. Wilson, and R. Seshadri. "Structural evolution and skyrmionic phase diagram of the lacunar spinel GaMo4Se8." Physical Review Materials 4 (2020).
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.
H.C. Yu, D.H. Yeon, A. Van der Ven, and K. Thornton. "Substitutional diffusion and Kirkendall effect in binary crystalline solids containing discrete vacancy sources and sinks." Acta Materialia 55 (2007): 6690-6704.
J.C. Thomas, J.M. Millunchick, N.A. Modine, and A. Van der Ven. "Surface atomic order of compound III-V semiconductor alloys at finite temperature." Physical Review B 80 (2009): 125315.
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.
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.

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