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2007 Science Theme Call for Proposals

Additional Information

EMSL is accepting user proposals by March 15, 2007, in four environmental molecular science themes. This second annual science theme call for proposals is open to all topics that fit within the science themes, although proposals that will use new capabilities, that require multiple techniques or areas of EMSL, require unique EMSL capabilities or that relate to targeted topics described within each science theme are especially encouraged. Information about submitting a proposal, types of EMSL proposals, and information required in a proposal can be found by clicking the appropriate topic in the Proposal Resources box at the right. The four science themes are:

Biological Interactions and Dynamics

Proposals are encouraged that focus on determining the protein composition of cells or membranes, as well as the activities and structures of individual proteins or protein complexes. Preference will be given to proposals addressing the dynamics of protein composition or localization, their assembly into multiprotein complexes, or studies that probe important properties of biological membranes, including cell-environment interactions (also see Geochemistry/Biogeochemistry and Subsurface Science). Proposals involving multidisciplinary teams that combine experimental and computational capabilities are also strongly encouraged.

More information: Biological Interactions and Dynamics Theme

Geochemistry/Biogeochemistry and Subsurface Science

Proposals to use EMSL resources to probe reaction mechanisms at the mineral/water, microbe/mineral, and fluid/fluid interfaces at the molecular scale are encouraged. Preference will be given to proposals that either elucidate specific interfacial molecular mechanisms or focus on identifying the molecular form of contaminants or radionuclides in and on the surfaces of natural materials and their impact of the fate of transport of contaminants in the environment.

Proposals can address key issues in molecular geochemistry or biogeochemistry, such as electron transfer processes at the microbe-mineral interface, the specific effects of adsorbate binding to specific sites on mineral surfaces, crystal growth/dissolution processes, or coupled processes that can involve the coupling of electron transport (via radicals or intermediates) with proton or adsorbate interactions at the surface. User projects can address fundamental issues in fluid flow and reactive transport using column and intermediate scale flow experiments. Proposals involving multidisciplinary teams that combine experimental and computational capabilities are also strongly encouraged.

More information: Geochemistry/Biogeochemistry and Subsurface Science Science Theme

Atmospheric Aerosol Chemistry

The EMSL is seeking user proposals involving the molecular-level understanding of atmospheric aerosol chemistry. Specifically, proposals are solicited that focus on the characterization and understanding of the chemical and physical properties of organic aerosols and elemental carbon, and/or linking experiments to the development, testing, and validation of theoretical models of aerosol nucleation, growth, and atmospheric processing.

Topics of particular interest include processes involved in aerosol formation and how the composition and chemistry of the aerosols change in time (aging studies) upon exposure to atmospheric radiation, free radicals, and other key atmospheric components. Proposals involving multidisciplinary teams that combine experimental and computational capabilities are also strongly encouraged.

More information: Atmospheric Aerosol Chemistry Science Theme

Science of Interfacial Phenomena

EMSL is seeking user proposals that contribute to the atomic- and molecular-level understanding and control of the dynamic, reactive, and transport properties of interfaces having possible environmental and energy implications. Material systems with interfaces designed and optimized, or tailored, with specific properties are essential to technologies needed to maintain a secure environment and obtain a stable energy future.

Technical areas that will rely on improved understanding and control of molecular-level structural, dynamic, and transport properties of interfaces include hydrogen production and storage, solid-oxide fuel cell research and development, materials for next-generation nuclear reactors, radiation detectors and chemical sensors, a new generation of selective, efficient and stable catalysts, and solid-state lighting.

Proposals that link multiple techniques or areas of EMSL, that seek to establish molecular level control of catalytic activity and selectivity, that can provide fundamental information about mechanisms that control photocatalysis and photochemistry, deal with advanced energy systems or are associated with the design and testing of material systems with specialized transport properties are encouraged.

More information: Science of Interfacial Phenomena Science Theme

New and Upgraded Capabilities

Currently EMSL is starting a multi-year process of upgrading and replacing some instruments. Some of these capabilities are already on line while other instruments are at differing stages of the procurement and installation processes. Since Science Theme User activities can be conducted on one proposal for up to three years, a list of new capabilities currently planned to be available before the 2008 science theme call has been assembled and access can be requested in the current call. For dates of actual availability, contact should be made with the Scientific Facility Lead or instrument custodian.

Highly Requested EMSL Capabilities

Information about EMSL capabilities that are in high demand is provided so that users know that access to these capabilities may be limited and that competition for access is often high. This does not mean that these capabilities are not available, but that time on these instruments will be limited and the amount of time requested should be carefully considered and appropriately justified. Time allocation will be heavily dependent upon the results of the peer review process. If major amounts of time are needed on high demand instruments, users should discuss options with the relevant instrument custodian or science facility lead.

Computational Resources

Computational hardware and software resources are available at EMSL to perform molecular-based modeling in all four science themes. These capabilities include standard ab initio and empirical potential modeling techniques, such as molecular orbital and density functional theory calculations, molecular dynamics simulations, and ab initio molecular dynamics. Science Theme proposals that link computation and experiment are encouraged, but the maximum computation request for this call is limited to 150,000 hours computation or less. Note - supplemental information for requesting computer use can be added to the description of proposed research.

Contact

For information regarding EMSL Science Themes:
Andrew R. Felmy, Ph.D.
Pacific Northwest National Laboratory
P.O. Box 999, K8-96
Richland, WA 99354
509-509-371-6356
ar.felmy@pnl.gov

User Support Office: , 509-371-6003