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吴忠庆

基本信息
办公电话: 
0551-63607975
邮箱: 
wuzq10@ustc.edu.cn
科研领域: 
主要从事高温高压材料物性的第一性原理计算。近年来系统的研究了地幔主要成分的状态方程以及温度、压强、相变和铁的自旋转变等因素对矿物热力学、弹性性质的影响;探讨这些结果对认识地球深部组分、温度和动力学结构的意义;发展了一个第一性计算非谐自由能的方法,显著扩展了计算所得热力学性质的适用温度范围;发展了一个计算高温弹性特性的新方法,其所需的计算量不到常规方法的十分之一,利用该方法系统研究了地幔众多重要矿物的弹性特性
个人简介
发表文章

2013

  1. Wu Z., Justo J. F., Wentzcovitch R., “Elastic Anomalies in a Spin-Crossover System: Ferropericlase at Lower Mantle Condition”, Physical Review Letters, 110, 228501 (2013).

  2. Huang F., Chen L., Wu, Z., Wang W., “First-principles calculations of equilibrium Mg isotope fractionations between garnet, clinopyroxene, orthopyroxene, and olivine: implications for Mg isotope thermometry”, Earth and Planet Science Letters,367 61-70,2013

  3. Valdez, M.,Wu, Z., Yu, Y., Wentzcovitch, R.“Thermal elasticity of (Fex,Mg1-x)2SiO4 olivine and wadsleyite”, Geophysical research letters, 40 290-294,2013

 

2012

  1. Valdez, M.,Wu, Z., Yu, Y., Revenaugh, J., Wentzcovitch, R.“Thermoelastic properties of ringwoodite (Fex,Mg1-x)2SiO4: Its relationship to the 520 km seismic discontinuity”, Earth and Planet Science Letters, 351 115-122, 2012

 

2011

  1. Wu, Z., and Wentzcovitch, R. M,“Quasiharmonic thermal elasticity of crystals: An analytical approach”, Physical Review B, 83, 184115 (2011)

  2. Wu, Z., Nakano, A., Kalia, R. K., and Vashishta, P.,” Vibrational and thermodynamic properties of β- HMX: a first-principles investigation”, Journal of Chemical Physics, 134, 204509 (2011)

  3. Wu, Z, Vashishta, P., Kalia, R., and Nakano, A., “First-principles calculations of the structural and dynamic properties, and the equation of state of crystalline iodine oxides I2O4, I2O5, and I2O6”, Journal of Chemical Physics, 134, 204501 (2011)

  4. Shahnas M. H.; Peltier W. R.; Wu, Z, and Wentzcovitch R M, “The high-pressure electronic spin transition in iron: Potential impacts upon mantle mixing”,Journal of Geophysical Research,116, B08205,(2011)

 

2010

  1. Wu, Z., “Calculating the anharmonic free energy from first principles”, Physical Review B, 81, 172301 (2010)

  2. Wentzcovitch, R. M., Yu, Y., and Wu, Z., (2010) “Thermodynamic Properties and Phase Relations in Mantle Minerals Investigated by First Principles Quasiharmonic Theory”, Rev. Mineral. Geochem. 71,59-98.

  3. Wentzcovitch, R. M., Yu, Y., and Wu, Z. “First Principles Quasiharmonic Thermoelasticity of Mantle Minerals”, Reviews in Mineralogy & Geochemistry, 71 59, 2010.

  4. Hsu, H., Umemoto, K., Wu, Z., Wentzcovitch, R. M., “Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT plus U Investigations”,Reviews in Mineralogy & Geochemistry, 71 169, 2010.

  5. Shimojo, F., Wu, Z., Nakano, A.,Kalia, RK., and Vashishta P.,"Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions",Journal of Chemical Physics 132, 094106: 1-8, 2010

 

2009

  1. Wu, Z., Justo, J. F.,da Silva, C. R. S., de Gironcoli, S., and Wentzcovitch, R. M, “Anomalous thermodynamics properties of ferropericlase throughout its spin crossover transition”Physical Review B, 80, 014409 (2009)

  2. Wu, Z., and Wentzcovitch, R. M,“Effective semiempirical ansatz for computing anharmonic free energies”, Physical Review B, 79, 104304 (2009)

  3. Wentzcovitch, R. M., Justo, J. F., Wu, Z., da Silva, C. R. S., Yuen, D. A., and Kohlstedt D.,” Anomalous compressibility of ferropericlase throughout the iron spin crossover”, Proceedings of the National Academy of Sciences of the United States of America, 106:8447-8452 (2009)

 

2008

  1. Yu, Y., Wu, Z., and Wentzcovitch, R. M.,”αtoβtoγtransformations in Mg2SiO4”, Earth and Planet Science Letters, 273,115-122 (2008)

  2. Wu, Z., Wentzcovitch, R.M., Umemoto, K., Li, B., Hirose, K., and J. Zheng “PVT relations in MgO: an ultra-high PT scale for planetary sciences applications” Journal of Geophysical Research,113, B06204 (2008)

  3. Sun, T., Umemoto, K., Wu, Z., Zheng J-C, and Wentzcovitch, R. M., “Lattice Dynamics and Thermal Equation of State of Platinum”, Physical review B78, 024304 (2008)

  4. Yu J., Wu ZQ, Liu ZR, Yan QM, Wu J, Duan WH, “Phase diagram of ferroelectric BaTiO3 ultrathin films under open-circuit conditions”, Journal of Physics-Condensed Matter, 20 135203(2008).

 

2007

  1. Wu, Z., and Wentzcovitch, R. M., “Vibrational and thermodynamic properties of wadsleyite: a density functional study”, Journal of Geophysical Research112, B12202 (2007)

  2. Wu ZQ, Duan WH, Huang ND, Wu J, and Gu BL, “Self-organization nanodomain structure in ferroelectric ultrathin films”, Nanotechnology 18,325703(2007)

  3. Wu ZQ, Huang ND, Liu ZR, Duan WH, Wu J, and Gu BL, “Unusual vortex structure in ultrathin Pb(Zr0.5Ti0.5)O3 films”, Journal of Applied Physsics 101,014112(2007).

 

2001-2005

  1. Wu ZQ, Huang ND, Duan WH, Wu J, and Gu BL, “The phase diagram of ultrathin Pb(Zr0.5Ti0.5)O3 films under strain,” Applied Physics Letters 86, 202903(2005).

  2. Wu ZQ, Duan WH, Wu J, Gu BL, and Zhang XW, “Dielectric properties of relaxor ferroelectric films,” Journal of Applied Physics 98, 094105(2005).

  3. Wu ZQ, Huang ND, Liu ZR, Duan WH, Wu J, Gu BL and Zhang XW, “Ferroelectricity in Pb(Zr0.5Ti0.5)O3 thin films: critical thickness and 180stripe domain,” Physical Review B 70, 104108 (2004).

  4. Huang ND, Liu ZR, Wu ZQ, Duan WH, Gu BL and Zhang XW, “Huge enhancement of electromechanical responses in compositionally modulated Pb(Zr1-xTix)O3,” Physical Review Letter91, 067602(2003).

  5. Wu ZQ, Duan WH, Wang Y, Gu BL and Zhang XW, “Effect of defect-induced internal field on the aging of relaxors,” Physical Review B 67, 052101 (2003).

  6. Wu ZQ, Duan WH, Liu ZR, Gu BL and Zhang XW, “Effect of tunneling frequency on relaxor behavior,” Microelectric Engineering 66: 676-682(2003).

  7. Wu ZQ, Duan WH, Liu ZR, Gu BL and Zhang XW, “Multiple tunneling channels order-disorder ferroelectric model and field-induced phase transition in relaxors,” Physical ReviewB 65, 174119 (2002).

  8. Wu ZQ and Zhang XJ, “Charge fluctuations in cuprate superconductors,” arxiv: cond-mat/0210455.

  9. Wu ZQ, Liu ZR, and Gu BL, “Order-Disorder phase transition and dielectric mechanism in relaxor ferroelectrics,” Tsinghua Science and Technology 6, 97-108 (2001).