1. Wangsheng Qian published his work "Elasticity of orthoenstatite at high pressure and temperature: Implications for the origin of low VP/VS zones in the mantle wedge" on GRL.
  2. Wenzhong Wang published his work "Elasticity of corundum at high pressures and temperatures: Implications for pyrope decomposition and Al-content effect on elastic properties of bridgmanite" on JGR.
  3. Wenzhong Wang published his work "Concentration effect on equilibrium fractionation of Mg-Ca isotopes in carbonate minerals" on GCA.
  4. Tian Qin published his work "First-principles calculations of equilibrium fractionation of O and Si isotopes in quartz, albite, anorthite, and zircon" on CMP.
  5. Yi Hu published her work "Thermodynamic and elastic properties of pyrope at high pressure and high temperature by first-principles calculations" on JGR.
  6. Rui Yang published his work "Elastic properties of stishovite and the CaCl2-type silica at the mantle temperature and pressure: An ab initio investigation" on EPSL.
  7. We published the work "Spin crossover in ferropericlase and velocity heterogeneities in the lower mantle" on PNAS which is highlighted by Science(news from USTC, sciencenet.cn).
  8. Chongxi Feng and Tian Qin published "First-principles investigations of equilibrium calcium isotope fractionation between clinopyroxene and Ca-doped orthopyroxene" on GCA.
  9. We published the work "Elastic Anomalies in a Spin-Crossover System: Ferropericlase at Lower Mantle Condition" on Phy.Rev.Lett. and Science highlight our work(news from USTC).

Materials at high temperature and pressure

Our group uses first-principles calculations to study minieral properties:

  1. 1) Lattice dynamics and thermodynamics properties of materials
  2. 2) Thermoelasticity and sound velocities of materials
  3. 3) Phase transition, impurities effect on materials properties
  4. 4) Equilibrium isotope fractionation coefficient


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