Publications

Found 126 results
Author Title Type [ Year(Asc)]
2018
Kim, Sung Joo, Donghee Chang, Kui Zhang, George Graham, Anton Van der Ven, and Xiaoqing Pan. "Accordion Strain Accommodation Mechanism within the Epitaxially Constrained Electrode." ACS Energy Letters 3 (2018).
Rhein, Robert K., Patrick G. Callahan, Sean P. Murray, Jean-Charles Stinville, Michael S. Titus, Anton Van der Ven, and Tresa M. Pollock. "Creep Behavior of Quinary γ′-Strengthened Co-Based Superalloys." Metallurgical and Materials Transactions A 49, no. 9 (2018).
Heinze, Stefan G., Anirudh Raju Natarajan, Carlos G. Levi, and Anton Van der Ven. "Crystallography and substitution patterns in the Zr O 2 − YTa O 4 system." Physical Review Materials 2 (2018).
Gunda, N. S. Harsha, and Anton Van der Ven. "First-principles insights on phase stability of titanium interstitial alloys." Physical Review Materials 2 (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).
Thomas, J. C., J. S. Bechtel, and A. Van der Ven. "Hamiltonians and order parameters for crystals of orientable molecules." Physical Review B 98 (2018).
J.S. Bechtel, and A. Van der Ven. "Octahedral tilting instabilities in inorganic halide perovskites." Physical Review Materials 2 (2018).
Aagesen, L. K. et. al.. "PRISMS: An Integrated, Open-Source Framework for Accelerating Predictive Structural Materials Science." JOM (2018).
Goiri, Jon Garbriel, and Anton Van der Ven. "Recursive alloy Hamiltonian construction and its application to the Ni-Al-Cr system." Acta Materialia (2018).
Gunda, N. S. Harsha, B. Puchala, and A. Van der Ven. "Resolving phase stability in the Ti-O binary with first-principles statistical mechanics methods." Physical Review Materials 2 (2018).
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).
2017
G.H. Teichert, N.S.H. Gunda, S. Rudraraju, A.R. Natarajan, B. Puchala, K. Garikipati, and A. Van der Ven. "A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations." Computational Materials Science 128 (2017): 127-139.
Enrique, R. A., and A. Van der Ven. "Decohesion models informed by first-principles calculations: The ab initio tensile test." Journal of the Mechanics and Physics of Solids (2017).
Thomas, John C., and Anton Van der Ven. "The exploration of nonlinear elasticity and its efficient parameterization for crystalline materials." Journal of the Mechanics and Physics of Solids (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.
D.H. Fabini, J.G. Labram, A.J. Lehner, J.S. Bechtel, H.A. Evans, A. Van der Ven, F. Wudl, M.L. Chabinyc, and R. Seshadri. "Main-Group Halide Semiconductors Derived from Perovskite: Distinguishing Chemical, Structural, and Electronic Aspects." Inorganic Chemistry 56 (2017): 11-25.
DeWitt, Stephen, Ellen L. S. Solomon, Anirudh Raju Natarajan, Vicente Araullo-Peters, Shiva Rudraraju, Larry K. Aagesen, Brian Puchala, Emmanuelle A. Marquis, Anton Van der Ven, Katsuyo Thornton et al. "Misfit-driven beta'''precipitate composition and morphology in Mg-Nd alloys." Acta Materialia 136 (2017).
Radin, Maxwell D., Sunny Hy, Mahsa Sina, Chengcheng Fang, Haodong Liu, Julija Vinckeviciute, Minghao Zhang, Stanley M Whittingham, Shirley Y Meng, and Anton Van der Ven. "Narrowing the Gap between Theoretical and Practical Capacities in Li-Ion Layered Oxide Cathode Materials." Advanced Energy Materials (2017).
Thomas, J. C., and A. Van der Ven. "Order parameters for symmetry-breaking structural transitions: The tetragonal-monoclinic transition in ZrO 2." Physical Review B 96 (2017).
Radin, Maxwell D., Judith Alvarado, Ying Shirley Meng, and Anton Van der Ven. "Role of crystal symmetry in the reversibility of stacking-sequence changes in layered intercalation electrodes." Nano Letters 17, no. 12 (2017).
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.
R.A. Enrique, and A. Van der Ven. "Traction curves for the decohesion of covalent crystals." Applied Physics Letters 110 (2017): 021910.

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