Area of Interest 2- (2) MATERIALS - COMPUTATIONAL METHODOLOGIES TO DESIGN, ENGINEER, AND EVALUATE MATERIALS FOR FOSSIL ENERGY APPLICATIONS.

The summary for the Area of Interest 2- (2) MATERIALS - COMPUTATIONAL METHODOLOGIES TO DESIGN, ENGINEER, AND EVALUATE MATERIALS FOR FOSSIL ENERGY APPLICATIONS. Federal Grant is detailed below. It contains information such as the Catalog of Federal Domestic Assistance (CFDA) number, who is eligible for the grant, how much grant money will be awarded, important deadlines, and a sampling of similar government grants. Verify the accuracy of the data FederalGrants.com provides by visiting the webpage noted in the Link to Full Announcement section or by contacting the appropriate person listed in the Grant Announcement Contact section. If these sections are incomplete, please visit the website of the government agency that is offering this grant.


	Federal Grant Title:	Area of Interest 2- (2) MATERIALS - COMPUTATIONAL METHODOLOGIES TO DESIGN, ENGINEER, AND EVALUATE MATERIALS FOR FOSSIL ENERGY APPLICATIONS.
	CFDA Number:	81.089
	CFDA Description:	Fossil Energy Research and Development
	Federal Agency Name:	National Energy Technology Laboratory
	Category of Funding Activity:	Energy Science and Technology
	Category Explanation:	Information not provided
	Opportunity Category:	Discretionary
	Funding Opportunity Number:	DE-PS26-06NT42772-2
	Document Type:	Grants Notice
	Funding Instrument Type:	Cooperative Agreement
	Posted Date:	May 15, 2006
	Creation Date:	May 15, 2006
	Original Closing Date for Applications:	Jul 06, 2006
	Current Closing Date for Applications:	Information not provided
	Archive Date:	Sep 15, 2006
	Expected Number of Awards:	Information not provided
	Estimated Total Program Funding:	Information not provided
	Federal Grant Award Ceiling:	Information not provided
	Federal Grant Award Floor:	Information not provided
	Cost Sharing or Matching Requirement:	Yes

Applicants Eligible for this Grant: Unrestricted (i.e., open to any type of entity above), subject to any clarification in text field entitled "Additional Information on Eligibility"
Additional Information on Eligibility: Information not provided
Grant Description: Note: This descriptive area provides an overview of Area of Interest 2 only. YOU MUST READ THE FUNDING OPPORTUNITY ANNOUNCEMENT DOCUMENT FOR ADDITIONAL INFORMATION, EVALUATION CRITERIA, AND HOW TO PREPARE AN APPLICATION UNDER AN AREA OF INTEREST. Please scroll to the bottom of this page to access the Funding Opportunity Announcement. AREA OF INTEREST 2- (2) MATERIALS - COMPUTATIONAL METHODOLOGIES TO DESIGN, ENGINEER, AND EVALUATE MATERIALS FOR FOSSIL ENERGY APPLICATIONS. Novel materials that can withstand high temperatures and extreme environments, as well as those needed for the separation and storage of hydrogen are dominant themes in materials development for efficient energy systems. For the former, basic requirements are elevated melting temperatures, high oxidation and corrosion resistance, the ability to resist creep, and high toughness. Obtaining these properties encompass some of the most challenging problems in materials science. Computer simulation to study the structure, properties, and processing of materials on the atomic scale is needed to speed the advancement of innovative strategies that would replace traditional, trial-and-error experimental methods which are costly and time-consuming. A wide range of computer modeling tools, ranging from highly accurate quantum mechanics (electronic structure) methods to simple interatomic potentials, could be brought to bear on addressing critical materials needs. Experimental verification and testing in combination with computational approaches is desirable. Materials for fossil energy applications include high strength, corrosion resistant alloys for high temperature and high pressure conditions such as those found in ultra supercritical (USC) and oxy-fuel advanced combustion systems with temperatures upto 760/degrees/C and steam pressures upto 35 MPa. Computational approaches for the design of the materials, as well as the prediction of lifetime are of interest. In addition, materials and approaches for optimized boiler and turbine component coatings, are needed. Advanced nanostructured coatings can provide high strength, ductility and excellent impact resistance, which in turn enhances erosion resistance, fracture toughness, and fatigue resistance. These coatings may also offer higher corrosion resistance. Similarly, the fracture behavior of thermal barrier coatings (TBCs) under thermal loads has to be understood. To improve the performance and the efficiency of steam and gas turbines, it is thus paramount that advanced nanostructured coatings are developed and optimized by science-based computational methodology. In gas separation and storage systems, there is a need to use computer simulations for the development of novel membranes for gas separations, especially hydrogen separation from coal-derived gases. Micro-engineered and nano-composite membranes for membrane reactor applications are of special interest. Nanostructured materials also offer a host of promising routes for storing hydrogen at high capacity in compounds that have fast recycling. Large surface areas can be coated with catalysts to assist in the dissociation of gaseous H2, and the small volume of individual nanoparticles produces short diffusion paths to the material apos;s interior. Theory, modeling, and simulation will enable (1) understanding the physics and chemistry of hydrogen interactions at the appropriate size scale and (2) the ability to simulate, predict, and design materials performance for separation and storage
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