Thursday, March 8, 2018
2:30PM - 2:42PM
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V12.00001: Prediction of a new phosphorus allotrope with tunable direct band gap and high mobility
Woo Hyun Han, Sunghyun Kim, In-Ho Lee, Kee Joo Chang
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Thursday, March 8, 2018
2:42PM - 2:54PM
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V12.00002: An accurate predictive framework for the experimental realizability of metastable polymorphs
Eric Jones, Vladan Stevanovic
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Thursday, March 8, 2018
2:54PM - 3:06PM
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V12.00003: Phase Stability of High-Pressure Materials
Maximilian Amsler, Vinay Hegde, Christopher Wolverton
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Thursday, March 8, 2018
3:06PM - 3:18PM
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V12.00004: A Generalized Convex Hull Construction for Computational Materials Discovery
Edgar Engel, Andrea Anelli, Michele Ceriotti
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Thursday, March 8, 2018
3:18PM - 3:30PM
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V12.00005: Dynamic polymorphism in solids with multiple local minima on the atomic potential energy surface
Nikolai Zarkevich, Duane Johnson, Vitalij Pecharsky
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Thursday, March 8, 2018
3:30PM - 3:42PM
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V12.00006: Towards controlled morphology of bimetallic nanoparticles: Concentration and size effects
Javier Rojas, Eduardo Bringa, Rafael Gonzalez, Sebastian Allende, Samuel Baltazar
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Thursday, March 8, 2018
3:42PM - 3:54PM
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V12.00007: Simulation of Grain Boundary Kinetics in HCP Nanocrystals Using the Structural Phase-field Crystal (XPFC) model
Jason Luce, Katsuyo Thornton
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Thursday, March 8, 2018
3:54PM - 4:06PM
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V12.00008: Grain Growth Prediction Based on Data Assimilation by Implementing 4DVar on Phase-Field Models
Shin-ichi Ito, Hiromichi Nagao, Tadashi Kasuya, Junya Inoue
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Thursday, March 8, 2018
4:06PM - 4:18PM
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V12.00009: Mesoscale modeling of mixed-type dislocations in face-centered cubic metals
Shuozhi Xu, Jaber Mianroodi, Yuanqi Guo, Ruifeng Zhang, Abigail Hunter, Irene Beyerlein, Bob Svendsen
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Thursday, March 8, 2018
4:18PM - 4:30PM
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V12.00010: Lateral and Vertical Heterostructures of h-GaN/h-AlN: Electron Confinement, Band Lineup and Quantum Structures
Engin Durgun, Abdullatif Onen, Deniz Kecik, Salim Ciraci
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Thursday, March 8, 2018
4:30PM - 4:42PM
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V12.00011: Composition-Dependent Phase Stability in Yttria Stabilized Zirconia: Clues from Lattice Dynamics Calculation
Jongmin Yun, Ji-Hwan Lee, Emin Kilic, Aloysius Soon
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Thursday, March 8, 2018
4:42PM - 4:54PM
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V12.00012: First-Principles Exploration of Thermodynamically Stable Cs-O Compounds
Jinseon Park, Lizhi Zhang, Mina Yoon
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Thursday, March 8, 2018
4:54PM - 5:06PM
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V12.00013: Comparing the performance of Monkhorst-Pack and Chadi-Cohen k-point grids
Pandu Wisesa, Tim Mueller
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Thursday, March 8, 2018
5:06PM - 5:18PM
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V12.00014: Effect of vacancy ordering in metastable Ge-Sb-Te phase-change materials
Young-Sun Song, Youngjae Choi, Sang-Hoon Lee, Seung-Hoon Jhi
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