Council on Earth Sciences: A Brief History, Current Activities and Opportunities for Coordination John W. Rudnicki Department of Mechanical and Department of Civil and Environmental Engineering Northwestern University
History • Began 1997, Chaired by Frank Richter (University of Chicago) • Of original members, Frank Richter, Don DePaolo, Kate Baker remained on Council until 2007. • Various others have gone on and off to keep number of council members around 10. • Nick Woodward has always been DOE contact September 10, 2009 2
Current Council Members Chairperson (2008): Prof John Rudnicki Northwestern University (1997) Prof. Susan Brantley (2009) Prof. Rosemary Knight (2003?) Pennsylvania State University Stanford University Prof. David A. Dixon (2003?) Prof. Michael Manga (2008) The University of Alabama University of California at Berkeley Prof. Patricia M. Dove Dr. Christopher Neuzil (2008) Virginia Tech (2009) U. S. Geological Survey Prof. John Eiler (2008) Professor Roel K. Snieder (2003?) California Institute of Technology Colorado School of Mines Dr. Joanne T. Fredrich Dr. John Zachara (2008) BP America, Inc. (2008) Pacific Northwest National Laboratory September 10, 2009 3
TYPICAL AGENDA 7:30 - 8:15 AM Coffee, Continental breakfast 8:15 - 8:30 AM Welcome and Introductions 8:30 - 9:30 AM Chemical Sciences, Geosciences and Biosciences Divisional Overview 9:30 -10:00 AM Geosciences Program 10:00 -10:15 AM Coffee Break 10:15-12:00 AM 2 -3 presentations from other BES divisions, DOE labs, special reports, NSF, etc. 12:00 – 1:00 PM Lunch 1:00 – 3:00 PM Council Discussion: Workshop reports, proposals for new workshops, membership. 3:00 PM Adjourn September 10, 2009 4
Spring 2002, 2006, 2009 TYPICAL 1.5 Day AGENDA Day One Usual 7:30 AM – 3 PM Future Directions in Geosciences – 3:30 – 5:30 PM 10-15 minute discussions/presentations from each Council member Interests, workshop possibilities, etc . Dinner at local establishment Day 2 Council discussion: Organize the discussions/ideas floated on Day 1 into themes that could constitute workshops. The questions that need to answered are: • How do we make workshops out of these ideas? • Who would like to organize them? • What are the priorities? What are the relationships among workshops? September 10, 2009 5
Workshops Council Workshops Council • Processes in Fluid-Rock Systems: Bridging from Atomic to Field Scales, September 1997 • Terrestrial Sequestration of CO2: An Assessment of Research Needs, May 1998 • Optimization and Geophysical Inverse Problems, February 1999 • Initiatives in High-Pressure Research (joint with MS&E), June 1999 • Permeability Dependence of Seismic Amplitudes, December 2001 • Integrating Numerical Models of Reactive Flow and Transport into Fundamental Geosciences Research, June 2003 • Geophysical Images of the Near-Surface of the Earth: What are we really measuring? December 2003 • Geosciences User Facilities – Enhancing Instrumentation Access, May 2004 • Compaction Localization Phenomena, October 2004 • Advanced Non-Invasive Monitoring, November 2005 • Molecular Dynamics and Structure of Geofluids , December 2007 • What Can Computational Geochemistry Do and What is Needed to Address the Mineral Water Interface ?, January, 2010 • Revitalizing the Connections Between Fundamental Isotope Chemistry and Isotope Geoscience , 2010 September 10, 2009 6
Selected Workshop Excerpts (1) • Molecular Dynamics and Structure of Geofluids , December 2007 “…to establish unifying themes in our understanding of water, silicate melts, and their chemical combinations in the form of aqueous solutions of hydrous melts over a wide range of pressure and temperature…recent results have challenged our compartmentalized view of geofluids as either silicate liquids or aqueous solutions and our view of the earth as being divided between a wetter, cooler surface and a drier, hotter interior.” September 10, 2009 7
Selected Workshop Excerpts (2) • Computational Geochemistry , January, 2010 Co-chairs Randy Cygan (SNL), Jim Kubicki (Penn State), David A. Dixon (Alabama) “…Most geochemical reactions near the Earth’s surface and in the crust involve fluid phases and take place at fluid-solid interfaces or in confined spaces of mineral interlayers and nanopores. These …. important natural processes… are inherently multi-scale in time and space, and addressing the … problems they pose requires … the use of new computational science methodologies. A molecular-level understanding of the chemistry and physics of interfacial and confined aqueous solutions interacting with mineral surfaces is essential to understanding many of the crucial problems in energy and the environment… There is a growing consensus that the idealized mineral-fluid interfaces used in MD and MC simulations and the relatively small assemblages used in these models and in quantum calculations are at least an order of magnitude too small in characteristic length (three orders of magnitude in volume) to effectively address many critical questions ” September 10, 2009 8
Computational Chemistry Potential Participants •Susan Rempe (SNL) computational studies of ionic nanoconductors •Kathy Nagy (University of Illinois at Chicago) experimental geochemistry •Louise Criscenti (SNL) computational geochemistry •Nita Sahai (Wisconsin) interfacial biogeochemistry •Patricia Dove (Virginia Tech) geochemistry •Andrey G. Kalinichev (Michigan State) computational geochemistry •Kevin Rosso (PNNL) experimental and computational geochemistry •Jim Rustad (UC Davis) computational geochemistry •Jim Kirkpatrick (Michigan State) experimental geochemistry •Peter Cummings (Vanderbilt/ORNL) computational nanoscience •Eric Bylaska (PNNL) computational chemistry software development – ab initio molecular dynamics with solution and geochemical applications •Glenn Waychunas (LBL) experimental and computational geochemistry •Udo Becker (Michigan) computational and experimental geochemistry •Dave Wesolowski (ORNL) computational and experimental geochemistry September 10, 2009 9
Selected Workshop Excerpts (3) • Revitalizing the connections between fundamental isotope chemistry and isotope geoscience, 2010 Co-chairs: John Eiler, Bill Goddard (Caltech), Edwin Schauble (UCLA) “…The nuclear, physical and biochemistry of isotopes have profoundly influenced the geosciences: They are the ultimate foundation of geological time scales, reconstructions of past climate, ‘tracer’ studies in the hydrosphere and atmosphere, and numerous other applied disciplines…. . Stable isotope geochemistry is in the midst of a sustained burst of analytical innovation and observational discovery … It has accumulated many peculiar new observations and is attempting to interpret them with familiar but decades-old physical and chemical theory. Chemistry has undergone a variety of recent innovations, including a striking jump in sophistication and demonstrable accuracy of first-principles theoretical modeling, particularly of complex structures and interfaces. This body of work succeeds on its own terms, but appears to be largely unaware of the set of new, often mysterious, observations coming from novel branches of stable isotope geochemistry. September 10, 2009 10
Revitalizing the connections between fundamental isotope chemistry and isotope geoscience, 2010 Representative Potential Participants • Jess Adkins (Caltech; paleoclimate research) • Michael Bender (Princeton; isotope geochemistry and climate research) • Jacob Bigeleisen (Stonybrook; physical chemistry of isotopes) • Joel Blume (University of Michigan; isotope geochemistry of Hg) • Kristie Boering (UC Berkeley; stratospheric photochemistry and isotope geochemistry of ozone) • Nicolas Dauphas (University of Chicago; transition-metal isotope geochemistry) • John Eiler (Caltech; isotope geochemistry) • Bill Goddard (Caltech; theoretical physical and organic chemistry) • John Hayes (Retired to San Francisco area; isotope biogeochemistry) • Rudy Marcus (Caltech; physical chemistry, including isotope geochemistry of ozone) • Mitchio Okumura (Caltech; analytical and environmental chemistry) • Edwin Schauble (UC Los Angeles; chemistry of naturally occurring isotopes) • Alex Sessions (Caltech; isotope biogeochemistry) • Neil Sturchio (University of Illinois at Chicago; isotope geochemistry of Cl and O) Mark Thiemens (UC San Diego; chemistry and isotope geochemistry ) • September 10, 2009 11
Possible Future Workshops Topics Biomolecular Interactions (Patricia Dove and John Zachara) •Future directions in microbially driven geochemical processes. •Biomolecular interactions involved in biomineralization. •Role of biochemistry in modulating growth and nucleation in simple model systems. • Controls on skeletal formation and signatures by this pathway. Microscale imaging •Porosity, fluid flow, chemical and biological interactions. •What don’t we need to know? •How can computations be used to upscale information at the grain-contact scale? Flow, transport, chemistry and microscale imaging in fine-grained clays (Chris Neuzil) Reaction-front scaling and heterogeneities (Sue Brantley) September 10, 2009 12
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