NSF Award Search: Award # 0635815 - Collaborative Research: Quantum Mechanical Modeling of Major Mantle Materials

National Science Foundation

Award Abstract # 0635815

Collaborative Research: Quantum Mechanical Modeling of Major Mantle Materials

NSF Org:	EAR Division Of Earth Sciences
Awardee:	REGENTS OF THE UNIVERSITY OF MICHIGAN
Initial Amendment Date:	January 19, 2007
Latest Amendment Date:	March 11, 2009
Award Number:	0635815
Award Instrument:	Continuing Grant
Program Manager:	Robin Reichlin rreichli@nsf.gov (703)292-8556 EAR Division Of Earth Sciences GEO Directorate For Geosciences
Start Date:	February 1, 2007
End Date:	January 31, 2010 (Estimated)
Total Intended Award Amount:	$305,279.00
Total Awarded Amount to Date:	$305,279.00
Funds Obligated to Date:	FY 2007 = $118,671.00 FY 2008 = $119,609.00 FY 2009 = $66,999.00
History of Investigator:	Lars Stixrude (Principal Investigator) lstixrude@epss.ucla.edu
Awardee Sponsored Research Office:	Regents of the University of Michigan - Ann Arbor 3003 South State St. Room 1062 Ann Arbor MI US 48109-1274 (734)763-6438
Sponsor Congressional District:	12
Primary Place of Performance:	Regents of the University of Michigan - Ann Arbor 3003 South State St. Room 1062 Ann Arbor MI US 48109-1274
Primary Place of Performance Congressional District:	12
Unique Entity Identifier (UEI):
Parent UEI:
NSF Program(s):	Petrology and Geochemistry, Geophysics
Primary Program Source:	490100 NSF RESEARCH & RELATED ACTIVIT 040100 NSF RESEARCH & RELATED ACTIVIT 040100 NSF RESEARCH & RELATED ACTIVIT
Program Reference Code(s):	0000, 1031, OTHR
Program Element Code(s):	1573, 1574
Award Agency Code:	4900
Fund Agency Code:	4900
Assistance Listing Number(s):	47.050

ABSTRACT

The investigators continue to see an ever-widening frontier of discovery in the first principles study of mantle materials. In their last renewal, the team proposed a major new expansion in the scope of their research from the study of the physical properties of individual mantle phases, towards an understanding of the interaction among them through phase transitions and chemical exchange. This widening of focus from the mineralogical towards the petrological has been very successful, and has been essential for continuing progress in understanding the origin of mantle structure, its composition, and evolution.

The PIs now propose significant advances in the realm of application of first principles methods to mantle materials. This proposal is based on the firm foundations of past success: they have developed all the tools that are needed to accomplish these goals, and have already obtained encouraging results in all areas. The investigators expect that their research will make key contributions to understanding: 1) The origins of lateral heterogeneity in the mantle, through investigations of the physical properties of solid solutions, including the influence of the high-spin to low-spin transition in iron. 2) The interpretation of samples of possible lower mantle origin, via predictions of phase equilibria and element partitioning among coexisting mantle phases including those on the enstatite-corundum join and in the MgO-FeO-SiO2 system. 3) The amount of water in Earth's mantle, through predictions of hydrogen solubility in nominally anhydrous phases, investigations of the stability of hydrous phases, and predictions of electrical conductivity. Mentoring of young scientists will continue to be an important part of the broader impacts of this research, including training of students and post-docs within the research groups and broader education facilitated by VLab, the Virtual Laboratory for Earth and planetary materials, and CIDER, the Cooperative Institute for Deep Earth Research.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

(Showing: 1 - 10 of 14)

Stixrude, L. "Properties of rocks and minerals - Seismic properties of rocks and minerals, and the structure of the Earth" in Treatise on Geophysics, Volume 2: Mineral Physics, G. Schubert, ed. , v.2 , 2007 , p.7 10.1016/B978-044452748-6/00042-0

Fumagalli, P. and L. Stixrude "The 10 Å phase at high pressure by first principles calculations and implications for the petrology of subduction zones" Earth and Planetary Science Letters , v.260 , 2007 , p.212 10.1016/j.epsl.2007.05.030

Stixrude, L., C. Lithgow-Bertelloni, B. Kiefer, and P. Fumagalli "Phase stability and shear softening in CaSiO3 perovskite at high pressure" Physical Review B , v.75 , 2007 , p.024108 10.1103/PhysRevB.75.024108

Ritsema, J., W. Xu, L. Stixrude, and C. Lithgow-Bertelloni "Estimates of the transition zone temperature in a mechanically mixed upper mantle" Earth and Planetary Science Letters , v.277 , 2009 , p.244 10.1016/j.epsl.2008.10.024

Cammarano, F; Romanowicz, B; Stixrude, L; Lithgow-Bertelloni, C; Xu, WB "Inferring the thermochemical structure of the upper mantle from seismic data" GEOPHYSICAL JOURNAL INTERNATIONAL , v.179 , 2009 , p.1169 View record at Web of Science 10.1111/j.1365-246X.2009.04338.

Ohtani, E; Andrault, D; Asimow, PD; Stixrude, L; Wang, YB "Advances in high-pressure mineral physics: From the deep mantle to the core Preface" PHYSICS OF THE EARTH AND PLANETARY INTERIORS , v.174 , 2009 , p.1 View record at Web of Science 10.1016/j.pepi.2009.03.00

Stackhouse, S; Stixrude, L; Karki, BB "Determination of the high-pressure properties of fayalite from first-principles calculations" EARTH AND PLANETARY SCIENCE LETTERS , v.289 , 2010 , p.449 View record at Web of Science 10.1016/j.epsl.2009.11.03

Stixrude, L. and C. Lithgow-Bertelloni "Influence of phase transformations on lateral heterogeneity and dynamics in Earth?s mantle" Earth and Planetary Science Letters , v.263 , 2007 , p.45 10.1016/j.epsl.2007.08.027

Aronson, M. C., L. Stixrude, M. K. Davis, W. Gannon, and K. Ahilan "Magnetic excitations and heat capacity of fayalite Fe2SiO4" American Mineralogist , v.92 , 2007 , p.481 10.2138/am.2007.2305

Xu, WB; Lithgow-Bertelloni, C; Stixrude, L; Ritsema, J "The effect of bulk composition and temperature on mantle seismic structure" EARTH AND PLANETARY SCIENCE LETTERS , v.275 , 2008 , p.70 View record at Web of Science 10.1016/j.epsl.2008.08.01

Mookherjee, M; Stixrude, L "Structure and elasticity of serpentine at high-pressure" EARTH AND PLANETARY SCIENCE LETTERS , v.279 , 2009 , p.11 View record at Web of Science 10.1016/j.epsl.2008.12.01

(Showing: 1 - 10 of 14)

Please report errors in award information by writing to: awardsearch@nsf.gov.