国内理论及计算地球化学十年进展
Ten-year Progress in Theoretical and Computational Geochemistry in China
查看参考文献119篇
|
文摘
|
理论及计算地球化学使用物理、化学、数学的理论和方法,通过计算模拟等方式,来研究地球物质的化学成分、物理状态和动力学过程。它提供从微观到宏观多尺度时空范围内的研究手段,是很多地球科学分支之间的纽带和桥梁。本文简要回顾了国内该领域近十多年以来的进展情况。 |
|
其他语种文摘
|
Theoretical and computational geochemistry uses theoretical methods from physics, chemistry and mathematics to study chemical compositions, properties and kinetic processes of Earth materials, especially via the aid of computational modeling. It provides bridges for gaps of geological problems at different scales. This paper reviews the ten-year progress in theoretical and computational geochemistry in China. |
|
来源
|
矿物岩石地球化学通报
,2013,32(5):531-543 【核心库】
|
|
关键词
|
计算地球化学
;
量子化学计算
;
分子动力学
;
状态方程
;
地球化学动力学
|
|
地址
|
中国科学院地球化学研究所, 矿床地球化学国家重点实验室, 贵阳, 550002
|
|
语种
|
中文 |
|
文献类型
|
研究性论文 |
|
ISSN
|
1007-2802 |
|
学科
|
地质学 |
|
文献收藏号
|
CSCD:4959838
|
参考文献 共
119
共6页
|
|
1.
Zhang Y G. A molecular dynamics study of bulk and shear viscosity of liquid iron using embedded-atom potential.
Physics and Chemistry of Minerals,2000,27:164-169
|
CSCD被引
1
次
|
|
|
|
|
2.
Zhang Y G. Molecular dynamics calculation of the bulk viscosity of liquid iron-nickel alloy and the mechanisms for the bulk attenuation of seismic waves in the Earth's outer core.
Phys. Earth Planet. Interiors,2000,122:289-298
|
CSCD被引
3
次
|
|
|
|
|
3.
de Wijs G A. The viscosity of liquid iron at the physical conditions of the Earth's core.
Nature,1998,392(6678):805-807
|
CSCD被引
9
次
|
|
|
|
|
4.
Zhao Y J. Pressure dependence of viscosity and self-diffusion in CaAl_2Si_2O_8 melt: A molecular dynamics study.
Acta Petrologica Sinica,2004,20:737-746
|
CSCD被引
1
次
|
|
|
|
|
5.
Zhao Y J. Pressure dependence of self-diffusion in NaAlSi_3O_8 melt: A molecular dynamics study.
Acta Petrologica Sinica,2004,20:1461-1468
|
CSCD被引
1
次
|
|
|
|
|
6.
Zhang Y G. Finite-size effect at both high and low temperatures in molecular dynamics calculations of the self-diffusion coefficient and viscosity of liquid silica.
J. Phys. Condensed Matter,2004,16:9127-9135
|
CSCD被引
1
次
|
|
|
|
|
7.
Zhang Y G. Anisotropy of akimotoite: A molecular dynamics study.
Phys. Earth Planet. Interiors,2005,151:309-319
|
CSCD被引
1
次
|
|
|
|
|
8.
Zhang Y G. Equations of state of CaSiO_3 Perovskite: A molecular dynamics study.
Phys. Chem. Miner,2006,33:126-137
|
CSCD被引
3
次
|
|
|
|
|
9.
Zhang Y G. Strong temperature dependence of the first pressure derivative of isothermal bulk modulus at zero pressure.
J. Geophys. Res. Solid Earth,2007,112:B11202
|
CSCD被引
1
次
|
|
|
|
|
10.
Zhang Y G. Partitioning of Si and O between liquid iron and silicate melt: A two-phase ab-initio molecular dynamics study.
Geophys. Res/Lett,2009,36:L18305
|
CSCD被引
5
次
|
|
|
|
|
11.
Zhang Y G. Carbon and other light element contents in the Earth's core based on first-principles molecular dynamics.
PNAS,2012,109:19579-19583
|
CSCD被引
13
次
|
|
|
|
|
12.
Deng L W. First-Principles Study of Orthorhombic Perovskites MgSiO3 up to 120 GPa and Its Geophysical Implications.
Chinese Phys. Lett,2006,23:2334-2337
|
CSCD被引
7
次
|
|
|
|
|
13.
Deng L W. Pressure-related phase stability of MgSiO_3 and (Mg0.75, Fe0.25) SiO_3 at lower mantle condition.
Inter. J. Modern Phys,2009,23:3323-3329
|
CSCD被引
1
次
|
|
|
|
|
14.
Deng L W. High-pressure phase relations in the composition of albite NaAlSi_3O_8 constrained by an ab initio and quasi-harmonic Debye model, and their implications.
Earth Planet. Sci. Lett,2010,298:427-433
|
CSCD被引
4
次
|
|
|
|
|
15.
Deng L W. A first-principles study of the phase transition from Holl-I to Holl-II in the composition KAlSi_3O_8.
Am. Min,2011,96:974-982
|
CSCD被引
4
次
|
|
|
|
|
16.
Wu X. Structural stability of TiO_2 at high pressure in density-functional theory based calculations.
J. Phys. Condensed Matter,2010,22:295501
|
CSCD被引
5
次
|
|
|
|
|
17.
Wu X. Elasticity and anisotropy of iron-nickel phosphides at high pressures.
Geophys. Res. Lett,2011,38:L20301
|
CSCD被引
6
次
|
|
|
|
|
18.
Wu X. Structural and elastic properties of CaGeO_3 perovskite at high pressures.
Phys. Earth Planet. Interiors,2011,189:151-156
|
CSCD被引
3
次
|
|
|
|
|
19.
Yin K. First-principles study of high-pressure elasticity of CF-and CT-structure MgAl_2O_4.
Geophys. Res. Lett,2012,39:L02307
|
CSCD被引
2
次
|
|
|
|
|
20.
Liu L. Elastic properties of hydrous forsterites under high pressure: First-principle calculations.
Phys. Earth Planet. Interiors,2009,176:89-97
|
CSCD被引
11
次
|
|
|
|
|
了解气象卫星更多信息，请访问