APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session J40: Matter in Extreme Environments II: Liquids, Geological, and Complex Materials
Focus
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Sponsoring Units: DCOMP DMP
Chair: Tiange Bi
Room: 705
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J40.00001: Using liquid informed searches to predict high pressure and finite temperature phase transitions
Invited Speaker:
Stanimir Bonev
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J40.00002: Ab initio investigation of post-PPV transitions in MgGeO3 and NaMgF3
Koichiro Umemoto, Renata Wentzcovitch
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J40.00003: First-principles DFT molecular dynamics simulations of Fe, H, and FeH fluids in planetary interiors
Ronald Cohen
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J40.00004: The post-perovskite transition in Fe- and Al-bearing bridgmanite: effects on seismic observables
Renata Wentzcovitch, Juan J Valencia-Cardona, gaurav shukla, Kanchan Sarkar
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J40.00005: Life in Extreme Environments: Material Properties of the Enzymes
Toshiko Ichiye
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J40.00006: Express: nonstop calculations with the Quantum ESPRESSO
Qi Zhang, Michel Marcondes, Hongjin Wang, Jingyi Zhuang, Pedro da Silveira, Renata Wentzcovitch
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J40.00007: Ab initio simulation of heat and charge transport in water at planetary pT conditions
Federico Grasselli, Lars Peter Stixrude, Stefano Baroni
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J40.00008: First-principles predictions of electrical and thermal conductivity of liquid and solid iron at Earth core conditions
Kai Luo, Ronald Cohen
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J40.00009: Anomalous structural behaviour near a Mott transition in compressed Ca2RuO4
Harry Keen, Stephen R Julian, Andreas Hermann
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J40.00010: Theoretical Prediction of Novel Materials with the XtalOpt Evolutionary Algorithm
Xiaoyu Wang, Patrick Avery, Davide M. Proserpio, Cormac Toher, Stefano Curtarolo, Eva Zurek
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J40.00011: Ab initio investigation of hydrogen-bond disorder in δ-AlOOH
Chenxing Luo, Tianqi Wan, Ziyu Cai, Koichiro Umemoto, Renata Wentzcovitch
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J40.00012: Thermal Conductivity of CaSiO3 Perovskite at Lower Mantle Conditions
Zhen Zhang, Kotaro Onga, Dong-Bo Zhang, Kenji Ohta, Tao Sun, Kei Hirose, Renata Wentzcovitch
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J40.00013: Determination of Diffusion Constants and Partial Pressures in the Adsorption of Methane-Propane and Methane-Ethane Mixtures
Valleroy Zachary, Gonzalo Dos Santos, Todd Lombardi, Carlos Wexler
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