Mineral solid solutions structure and properties supercimputer modeling

Eremin Nicolai
Moscow State Uiversity

DRIVER: Implement a set of atomistic, molecular dynamics and quantum chemical methods for simulation of crystal structures, defects, and radiation resistance of minerals and their solid solutions in some oxide and silicate systems

STRATEGY: The authors have a number of original designs that allow, first, in the framework of representative super cell receive properties of disordered solid solution and their comprehensive review of its properties, and secondly, can physically reasonable to consider the charge transfer energy, allowing the use of strict energy basis for modeling with all values of the effective atomic charges.

OBJECTIVE: 1) The estimation of radiation resistance of mineral-like matrices; 2) Predicting of the physical properties of inorganic compounds of variable composition

IMPACT: The establishment of new technologically advanced materials with variable composition

USAGE: environmental management, ecology, earth sciences,

AREA: Geology, Structure and Dynamics of Atomic-Molecular Systems

3-D seismic imaging of inhomogeneous Earth («seismic migration»)

Moroz Boris
Central Geophysical Expedition Company

DRIVER: numerical modeling of wave Green functions in 3-D inhomogeneous isotropic/ anisotropic Earth medium by asymptotic or finite-difference schemes; reverse-time wave extrapolation or continuation from Earth surface into depth by simulated Green functions

STRATEGY: solving of linearized back-scattering problem by means of reverse-time wave extrapolation or continuation for 3-D seismic imaging

OBJECTIVE: Earth structure from seismic data for geological modeling of inhomogeneous Earth and predicting of rock properties in oil and gas geophysical prospecting

IMPACT: mathematical models developing, advanced supercomputing technologies and programs realization for seismic imaging in oil and gas prospecting

USAGE: 3-D seismic imaging of inhomogeneous Earth and related results of back-scattering problem solution for purpose of complex geological interpretation in oil and gas prospecting

AREA: Geophysics, Geology

Modeling of continental collision

Zaharov Vladimir
Moscow State Uiversity

DRIVER: The study of character and features of of continental collision based on the numerical simulation of tectonic, thermomechanical and petrological processes

STRATEGY: Complex thermomechanical and petrological 2D and 3D models based on the finite difference method and marker-in-cell techniques

OBJECTIVE: Dependence continental collision style of the main factors of global tectonics (material composition, temperature and heat generation distribution in the mantle, rheology of rocks)

IMPACT: Progress in understanding the evolution of plate tectonics during Earth’s history

USAGE: Geology, geotectonics, geodynamics

AREA: Geology

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