Documents/DOEER/1: Advance the Basic Sciences for Energy Independence/1.1: Core Disciplines

1.1: Core Disciplines

Advance the core disciplines of the basic energy sciences, producing transformational breakthroughs in materials sciences, chemistry, geosciences, energy biosciences, and engineering.

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The Office of Science will advance leading-edge research programs in the natural sciences, emphasizing fundamental research in materials sciences, chemistry, geosciences, and aspects of biosciences encompassed by the DOE missions, and it will provide world-class, peer-reviewed research results that are responsive to our Nation’s energy security needs as well as the needs of the broad scientific community. As part of a thorough program of fundamental research, the Office of Science will implement a comprehensive plan based on the findings and recommendations of the Basic Energy Sciences Advisory Committee workshop, Basic Research Needs to Assure a Secure Energy Future. For example, new materials will be developed that impact solid-state lighting, smart windows, vehicular transportation, thermoelectric conversion, hydrogen storage, electrical storage, and improved fuel cells, leading to significant increases in efficiency. In addition, new catalysts will be designed that exert exquisite control over chemical reactions so as to specify the reaction products and the rates at which they form. The ability to simulate accurately the behavior of a system under many different conditions can enhance the effectiveness of experimental investigation and can even replace experiments in cases where they are too difficult or too expensive. There are a large number of areas of research in the natural sciences where simulation could have an enormous impact. Our ability to simulate has lagged behind what we can see experimentally, mostly due to major bottlenecks in the application of theory and computation in modeling the behavior of single atoms and molecules within a larger, more complex system. To help realize this strategy, the synchrotron radiation light sources, electron-beam microcharacterization centers, and neutron scattering facilities will help reveal the atomic details of metals and alloys; glasses and ceramics; semiconductors and superconductors; polymers and biomaterials; proteins and enzymes; catalysts, sieves, and filters; and materials under extremes of temperature, pressure, strain, and stress. Using these powerful probes of science, we will be able to design new materials, atom-by-atom, and observe their creation as they unfold. Once the province of specialists, mostly physicists, these facilities are now used by thousands of researchers annually from all disciplines. Our strategy includes the following emphases: • Using the foundation of programs in materials sciences, chemistry, geosciences, energy biosciences, and engineering, create new options for the production, storage, distribution, and conservation of energy with basic research in areas such as hydrogen, nano-designed materials, nuclear fuel cycles and actinide chemistry, heterogeneous catalysis, novel membrane assemblies, and innovative energy conversion pathways. • Remove simulation bottlenecks in order to accelerate the pace of scientific discovery, for example, bridge electronic-throughmacroscopic length and time scales; simulate opto-magnetoelectronic properties of materials; understand chemical reactivity in solutions, solids, and turbulent flows; and explore a systems approach to molecular recognition, self-assembly, and chemical reactivity. • Complete construction of the Spallation Neutron Source, which will be the world’s most intense pulsed neutron source, and which will enable the study of materials that were previously not accessible to study. It is scheduled for commissioning in 2006. • Design and construct the revolutionary x-ray light source called the LCLS to provide laser-like radiation in the x-ray region of the spectrum that is 10 billion times greater in peak power and peak brightness than any existing source. The high brilliance of the ultra-short pulses from the LCLS might make it possible to obtain the structure of a single molecule using only one pulse of light, a vast improvement over current methods. • Explore new concepts in electron microscopy that will allow previously unimaginable studies of materials structure, chemistry, and the effect of external forces on materials during deposition, reaction, and deformation at the subnanometer level.

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