From the 1 of 70 linked papers with an AI index.
29.3k citations · 32.1k across the 69 of their papers we have counts for
4 papers · 1 filter
Importance of van der Waals interaction on structural, vibrational, and thermodynamics properties of NaCl
Michel L. Marcondes, Renata M. Wentzcovitch, Lucy V. C. Assali
Thermal equations of state (EoS) are essential in several scientific domains. However, experimental determination of EoS parameters may be limited at extreme conditions, therefore,…
Phase transitions in MgSiO3 post-perovskite in super-Earth mantles
Koichiro Umemoto, Renata M. Wentzcovitch, Shunqing Wu +3
The highest pressure form of the major Earth-forming mantle silicate is MgSiO3 post-perovskite (PPv). Understanding the fate of PPv at TPa pressures is the first step for understan…
Bullen's parameter as a seismic observable for spin crossovers in the lower mantle
Juan J. Valencia-Cardona, Quentin Williams, Gaurav Shukla +1
Elastic anomalies produced by the spin crossover in ferropericlase have been documented by both first principles calculations and high pressure-temperature experiments. The predict…
Pre-melting hcp to bcc Transition in Beryllium
Y. Lu, T. Sun, Ping. Zhang +3
Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusi…