Technical Topic Area 3A - Computer-Aided Design of Advanced Materials

The summary for the Technical Topic Area 3A - Computer-Aided Design of Advanced Materials 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:	Technical Topic Area 3A - Computer-Aided Design of Advanced Materials
	CFDA Number:	81.057
	CFDA Description:	University Coal Research
	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-PS26-06NT42751-3A
	Document Type:	Grants Notice
	Funding Instrument Type:	Grant
	Posted Date:	Apr 24, 2006
	Creation Date:	Apr 24, 2006
	Original Closing Date for Applications:	Jun 14, 2006
	Current Closing Date for Applications:	Information not provided
	Archive Date:	Aug 24, 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: Public and State controlled institutions of higher education Private institutions of higher education
Additional Information on Eligibility: Information not provided
Grant Description: NOTE: This descriptive area provides an overview of Technical Topic Area 3A only. YOU MUST READ THE FUNDING OPPORTUNITY ANNOUNCEMENT DOCUMENT FOR DETAILS ON 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. Computer-Aided Design of Advanced Materials (DE-PS26-06NT42751-3A) The quest for materials for use at high temperatures and for the separation and storage of hydrogen is one of the dominant themes in materials development for efficient energy systems. 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. In simulating the mechanical behavior of materials one needs to incorporate the relevant length and time scales of the problem, ranging from the level of the atoms, via the various length scales associated with the dynamical behavior of interacting dislocation and grain microstructures (the mesoscale ), all the way up to the continuum level, i.e., incorporate the physics of the material at all relevant levels. The goal is the development of designed materials with specified mechanical design criteria. The resulting microstructurally designed materials are important, for example, in withstanding extremely high temperatures and extreme environments. Needed properties are elevated melting temperatures, oxidation resistance, creep resistance, and intrinsic toughness 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. Novel membranes could include: micro-engineered membranes, nano-composite membranes, inorganic membranes, and those needed for membrane reactors. The diversity of transport mechanisms and their dependence on local defect structure requires extensive theory, modeling and simulation to establish the basic principles and design strategies for improved membrane materials and storage devices. 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. An effective way to accelerate research in this field is to use advances in materials simulations and high performance computing and communications to guide experiments. This synergy between experiment and advanced materials modeling will significantly enhance the synthesis of novel high-temperature materials. The studies should only address materials of interest to fossil energy conversion systems.
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Richard Rogus
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Similar Government Grants: • Support of Advanced Coal Research at U.S. Colleges and Universities; • Area of Interest 1A - Multiphase Flow Research; • Area of Interest 2A - Novel New Materials for Energy Conversion from Coal; • AREA OF INTEREST 3- NOVEL MATERIALS FOR SENSING OR MONITORING IN EXTREME ENVIRONMENTS OF FOSSIL ENER...; • Partitioning and Mechanism Studies for Mercury and Other Trace Metals within Coal-Fired Processes; • Water Usage in Future Power Generation Systems; • Gas Separations; • Computer-Aided Design of High-Temperature Materials; • Surface Modification of Alloys for Ultrasupercritical Coal-Fired Boilers