Upcoming talks at XXV International Materials Research Congress

Prof Ong and Zhenbin Wang will be giving the following talks at the upcoming XXV International Materials Research Congress held in Cancun, Mexico. Shyue Ping Ong, “Multi-Electron Polyanion Cathodes For High Energy Density Alkali-Ion Batteries”, Symposium B4. Materials and technologies for stationary electrochemical energy storage, Wed Aug 17 2016, 8:30am. Zhenbin Wang, “Discovery of Novel Narrow-Band Red Phosphors…

Dopant segregation and embrittlement at Mo grain boundaries

Richard Tran and Zihan Xu published their paper on “Computational study of metallic dopant segregation and embrittlement at Molybdenum grain boundaries” in Acta Materialia. Mo and its alloys are important refractory materials for high temperature applications, but suffer from low ductility. In this work, we investigated the segregation and strengthening effects of 29 metallic dopants using DFT and…

pymatgen 4.0.0 released

Version 4.0.0 of pymatgen has just been released. This new version cleans up a lot of the old deprecated code, and includes a lot of new functionality such as ABINIT8 support, improved lammps analysis, and many bug fixes. Check it out at http://www.pymatgen.org.