Mesoscale Molecular Dynamics of Geomaterials: the Glass Transition, Long-Range Structure of Amorphous Silicates and Relation between Structure, Dynamics and Properties of geomaterials at elevated Temperature and Pressure.

Objectives: Our aims were (1) Large particle-number Molecular Dynamics (MD) simulations of molten silicate and aluminosilicate geomaterials (e.g., CaAl{sub 2}Si{sub 2}O{sub 8}, MgSiO{sub 3}, Mg{sub 2}SiO{sub 4}) with emphasis on understanding the connection between atomic structure and properties at...

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Bibliographic Details
Corporate Authors: United States. Office of Photovoltaics and Wind Technologies
United States. Office of Nuclear Energy, Science, and Technology
United States. Department of Energy. Office of Scientific and Technical Information
Language:English
Published: Washington, D.C. : Oak Ridge, Tenn. : United States. Office of Photovoltaics and Wind Technologies ; Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, 2006.
Subjects:
Online Access:
Physical Description:104KB.
Format: Electronic eBook

MARC

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245 0 0 |a Mesoscale Molecular Dynamics of Geomaterials: the Glass Transition, Long-Range Structure of Amorphous Silicates and Relation between Structure, Dynamics and Properties of geomaterials at elevated Temperature and Pressure. 
260 |a Washington, D.C. :  |b United States. Office of Photovoltaics and Wind Technologies ;  |a Oak Ridge, Tenn. :  |b Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,  |c 2006. 
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500 |a Frank Spera. 
500 |a The University of California Regents, Santa Barbara, CA (US) 
513 |a Final;  |b 09/01/2001 - 10/31/2005. 
520 3 |a Objectives: Our aims were (1) Large particle-number Molecular Dynamics (MD) simulations of molten silicate and aluminosilicate geomaterials (e.g., CaAl{sub 2}Si{sub 2}O{sub 8}, MgSiO{sub 3}, Mg{sub 2}SiO{sub 4}) with emphasis on understanding the connection between atomic structure and properties at temperatures and pressures characteristic of Earth's mantle (2) Study of the transport properties and equations of state for silicate liquids based on the MD results (3) Development of geochemical models for the evolution of crustal magma bodies undergoing simultaneous assimilation, fractional crystallization, periodic recharge and periodic eruption and application to magmatic systems (4) Study of current-day rates of generation and eruption of magma on earth. 
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650 4 |a Crystallization. 
650 4 |a Equations Of State. 
650 4 |a Glass. 
650 4 |a Magma. 
650 4 |a Silicates. 
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