MODIFICATION
A -- Defense Sciences Research and Technology
- Notice Date
- 6/6/2003
- Notice Type
- Modification
- Contracting Office
- Other Defense Agencies, Defense Advanced Research Projects Agency, Contracts Management Office, 3701 North Fairfax Drive, Arlington, VA, 22203-1714
- ZIP Code
- 22203-1714
- Solicitation Number
- BAA03-02
- Response Due
- 11/7/2003
- Archive Date
- 11/8/2003
- Point of Contact
- Steven Wax, Deputy Director, Defense Sciences Office, Phone 703-696-2281, Fax 571-218-4553,
- E-Mail Address
-
none
- Description
- PREDICTING REAL OPTIMIZED MATERIALS, SOL BAA 03-02, Addendum 4, DUE 9/30/2003, POC: DR. CAREY SCHWARTZ, DARPA/DSO, Fax: 571-218-4553, E-mail: baa03-02@darpa.mil, URL: www.darpa.mil/baa/#dso. The Defense Sciences Office is interested in new white papers for PREDICTING REAL OPTIMIZED MATERIALS. This new program represents a thrust area for DSO that will comprise a multi-disciplinary, multi-pronged approach with far-reaching impact. Predicting Real Optimized Materials (PROM): Existing methods for materials development rely on synthetic methods of either perturbing known material systems or substituting atomic constituents in order to achieve desired properties. This is costly in terms of labor and time and leaves large portions of the parameter space unexplored. As a result of computational complexity, theoretical methods are seldom used to suggest new structures or to suggest the substitution of atoms in a structure to achieve the desired physical properties. Instead, such models are generally only used to calculate various properties of known structures. The desired approach to ab initio materials design is based upon inverse methods where the desired properties are input, and the atoms and their relative placement are computed. Recent efforts suggest that advances in mathematical techniques that reduce the complexity of ab initio methods, coupled to recent advances in the ab initio methods themselves, supported by ubiquitous compute power, would enable material designers to approach materials as an inverse problem. Moreover, such an approach would suggest synthesis routes for the materials of interest, while exploring portions of the parameter space heretofore unexplored. PROM intends to develop tools to solve the inverse problem, thereby minimizing the number of experiments that are performed, including synthesis. We would like to invite white papers that are innovative, far-reaching in their implications, and ambitious in their goals and implementation. The proposed work should be in one or more of the following areas: (a) Development and application of ab initio methods for the ground state of the many body Schrodinger Equation such as: Density Functional Theory, Quantum Monte Carlo, ab initio Molecular Dynamics, and related methods of O (N) or better in computational complexity that can account for the presence of external fields, finite temperatures, and other perturbations. Development and application of ab initio methods for the excited states of the many body Schrodinger Equation such as: Density Functional Theory, Quantum Monte Carlo, ab initio Molecular Dynamics, and related methods of O(N) or better in computational complexity that can account for the presence of external fields, finite temperatures, and other perturbations; (b) Development and application of methods, systems, and interfaces that automatically extract parameters of interest from microscopic systems and produce parameters of relevance for macroscopic systems; (c) Development and application of algorithmic methods that enable molecular dynamics calculations to be performed across multiple spatial and temporal scales sufficient to model clusters of 100?s of atoms interacting with similar clusters or surface for several microseconds; (d) Development and application of methodologies to couple optimization methods with ab initio calculations to support materials design; (e) Development and application of new tools to support quantum chemistry that make use of new representations of electronic orbitals to achieve performance gains in excess of 1000 relative to GAUSSIAN based upon algorithmic improvements only; (f) Coupling of inverse methods to ab initio calculations and application of the hybrid method to automated procedures for material designs. In order to provide focus to the program, we strongly encourage authors of white papers and proposals to apply their techniques to meeting the goals of a challenge system. A set of proposed challenge systems and metrics are described below: (a) Development of non-linear optical materials with Chi 2 on the order of 10 (-3) esu and Chi 3 on the order of 10 (-17) cm squared/volt squared; (b) Development of thin film ferroelectrics with tunability/loss tangent ratio of 100 at 100 GHz and 1000 at 100 GHz; (c) Small proteins for which the computed potential energy of the confirmation in an aqueous environment is accurate to 5 meV; (d) Development of magnetic semiconductors with critical temperatures in excess of 300 K and spin polarization greater than 70%; (e) Development of High Energy Density Materials for which Isp exceeds 300 s; (f) Development of thermoelectric materials for which the figure of merit ZT is greater than 5; (g) Reversible hydrogen storage material with storage weight percent of 6.5% for fuel cells; (h) Development of a catalyst for selective synthesis of carbon nanotubes by type. White papers may include any combinations of the above areas. Although discouraged, authors may propose another material challenge system, but it is incumbent on them to provide supporting information regarding potential Department of Defense applications for the material system, and that the suggested performance goals represent a significant increase in capability. Submission of white papers that combine developments in mathematics, physics, computational chemistry, and numerical algorithms coupled to optimization and inverse methods, which contain a minimal experimental component to validate the theoretical predictions, and which can be generalized to other challenge systems, are encouraged. Such white papers are preferred relative to those that focus on experimentation, translation of existing algorithms to parallel or grid computation, or studies that, although addressing a challenge material system, cannot be generalized to other systems. We encourage the formation of interdisciplinary teams integrated toward solutions to these challenging problems. It is essential that the preparation of white papers include the following areas: (a) A clear statement of the envisioned utility of the proposed research and development. We are looking for revolutionary applications and goals that could be enabled if the proposed work is completed successfully. While distinct goals for the execution of the proposal are required, the vision presented may extend past the performance period; (b) A concise statement of the research challenges, approach, and potential anticipated solutions to the challenges that will be addressed. This should include explicit timelines for which progress toward the goals can be determined and measured. Intermediate milestones of approximately 18 month periods, with demonstrable metrics of performance, must be included for the proposed work; (c) A cost estimation for resources required for the proposed timeline. This should include a clear description of the human resources needed, as well as funding. A management plan that describes how the different disciplines represented on the team will be integrated is critical; (d) The white paper should consider phases of development as the challenges are met. The first phase of the program should include theoretical analysis, demonstrating the efficacy of materials design by inverse methods or optimization techniques, coupled to an experimental demonstration. White papers must be received by 1600 ET July 9, 2003. Please put the phrase PREDICTING REAL OPTIMIZED MATERIALS in the title of the white paper. For instructions on submitting white papers, please refer to the instructions for BAA03-02 found at the web site http://www.darpa.mil/baa/#dso/. Authors of white papers will be notified by August 29, 2003, if a full proposal will be requested. Full proposals must be submitted no later than 1600 ET September 30, 2003. Notwithstanding the disposition of white papers, DARPA will accept full proposals for this addendum. PROPOSAL REQUIREMENTS: Each proposal should 1) explicitly address tests, demonstrations, and other research activities planned in the area(s) of interest described above, 2) include at least two specific and quantitative 18-month scientific and/or technical objectives for each scientific/technical area of interest addressed in the proposal that clearly demonstrate the research is on track for meeting the ultimate program goals, 3) include clearly delineated intellectual property arrangements and transition paths, and 4) include identification and assessment of critical scientific and/or technical barriers to the program objective and plausible approaches to develop solutions or overcome their limiting effects. Proposed Phase 1 efforts should not exceed 18 months, but consideration should be given to possible continuation of the effort into Phase 2. If multiple awards are made, down-selection may occur annually based on technical progress and achievements. Proposals with cost share should clearly identify the specific tasks to be cost-shared in the technical proposal and separately break out the corresponding costs in the cost proposal. The number of awards will be dependent on the suitability of proposals received and availability of funds. Full proposals shall consist of two volumes: technical and cost. The technical and cost volumes shall conform to the guidelines in DARPA (DSO) BAA 03-02 of December 16, 2002. To receive consideration under this addendum, proposals are due no later than 1600 ET September 30, 2003, to the address shown below. Proposals received after that date will be considered under the open BAA, but not under this addendum. In addition to the required original and 5 copies of the proposal, proposers are required to submit an electronic copy of the proposal on a ZIP disk. EVALUATION OF PROPOSALS: Evaluation of the proposals will be in accordance with BAA03-02. For general administrative questions, please refer to the original CBD announcement, BAA 03-02 of December 16, 2002. GENERAL INFORMATION: In all correspondence, reference BAA03-02, Addendum 4. TECHNICAL POINT OF CONTACT: Dr. Carey Schwartz, DARPA/DSO; Phone: (571) 218-4536; Fax: (571) 218-4553.
- Record
- SN00342038-W 20030608/030606213707 (fbodaily.com)
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