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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Intrinsic Nanoscience of δ Pu-Ga Alloys: Local Structure and Speciation, Collective Behavior, Nanoscale Heterogeneity, and Aging Mechanisms

Because diffraction measurements are sensitive only to the long range average arrangement of the atoms in the coherent portion of a crystal, complementary local structure measurements are required for a complete understanding of the structure of a complex material. This is particularly an issue in solid solutions where even random distributions of a solute will result in nanometer-scale fluctuations in the local composition. The structure will be further complicated if collective and cooperative phenomena organize the solute distribution via longer range interactions between non-bonded solute sites. If the solute affects the phase stability then the question is raised of whether the atoms in domains with local compositions outside the limits of the bulk phase will rearrange into the structure stable for that composition and temperature or if the resulting stress would prevent such a local phase transition. If the former, then phase separated, heterogeneous structures at or below the diffraction limit will form. This nanometerscale competition between the phase transition and the epitaxial mismatch – exacerbated by the added strain if the transition involves a volume change – raises the potential for the formation of novel structures that do not occur in bulk material, e.g., fcc Fe. This coupling over multiple scales between inhomogeneity ordering, elastic forces, phase competition, and texture in the form of coexisting structures is a hallmark of martensites, a class of complex materials that includes δ-stabilized PuGa and that often exhibit correlated atomic and electronic properties. The enigmatic and extreme nature of Pu is consistent with its exhibiting unusual structural behavior of this type, including nanoscale heterogeneity in δ-stabilized PuGa and its enhanced homogeneity on aging that has been suggested based on earlier X-ray Absorption Fine Structure (XAFS) spectroscopy and x-ray pair distribution function (pdf) measurements. Measurements on a defined set of laboratory-prepared materials now corroborate and better describe this heterogeneity while additional aged samples demonstrate the role of heterogeneity in aging processes in Pu.

Conradson, Steven D.↗

Non-local dielectric effects in nanoscience

Here, the physical properties of charges and excitations in nanoscale materials are influenced both by the dielectric properties of the material itself and the surrounding environment. This non-local dielectric effect was first discussed in the context of molecules in solvents over a century ago. In this perspective, we discuss non-local dielectric effects in zero-dimensional, one-dimensional, and two-dimensional nanoscale systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Center for Integrated Nanotechnologies 2011 Annual Report

We are pleased to share with you this 2011 edition of the Annual Report from the Center for Integrated Nanotechnologies (CINT) and the growing excitement we feel around cementing our brand as a leader in integration nanoscience. This can be seen most readily in the momentum we have achieved in our signature Integration Focus Activities (IFAs). These efforts unite our scientists across our four scientific Thrust areas with our users to concentrate research on larger-scale nanoscience integration challenges for specific classes of nanomaterials, systems, and phenomena. All three of our current IFAs (p. 10) now have a full head of steam, and nearly 30% of our current user projects map in some meaningful way to one of these IFAs. As part of our redoubled effort to increase our industrial user base, we are also looking to leverage these IFAs to build a stronger link to and spur recruitment within our industrial user community. We believe that the IFAs are a natural community-building tool with an intrinsic value proposition for industry; an R&D pipeline that can lead to more mature, more commercially well-positioned technologies. Finally, as nanoscience and nanotechnology are maturing, we as a research community are beginning to see our efforts extend in many exciting new directions. Our focus on nanoscience integration positions us very well to capitalize on new opportunities including the emerging Mesoscale Initiative within the DOE Office of Science. Many aspects of mesoscale science are embodied in the integration of nanoscale building blocks. We are equally proud of our continuing strong performance in support of our user program. We have fully transitioned to our new user proposal database providing enhanced convenience and flexibility for proposal submission and review. In our two regular proposal calls this year we received a total of 225 proposals, an increase of 10% over our 2010 performance. Our official count on number of users for the period remains at {approx}350 and continues to reflect full engagement of our scientific staff. We are also seeing a steady increase in our industrial user base, with the number of industrial proposals (including Rapid Access proposals) doubling in 2011. We attribute this in part of our outreach efforts including our focused industrial session in each of our past two annual User Conferences. The Center for Integrated Nanotechnologies (CINT) is a Department of Energy/Office of Science Nanoscale Science Research Center (NSRC) operating as a national user facility devoted to establishing the scientific principles that govern the design, performance, and integration of nanoscale materials. Jointly operated by Los Alamos and Sandia National Laboratories, CINT explores the continuum from scientific discovery to use-inspired research, with a focus on the integration of nanoscale materials and structures to achieve new properties and performance and their incorporation into the micro- and macro worlds. Through its Core Facility at Sandia National Laboratories and its Gateway Facility at Los Alamos National Laboratory, CINT provides open access to tools and expertise needed to explore the continuum from scientific discovery to the integration of nanostructures into the micro- and macro worlds. In its overall operations, CINT strives to achieve the following goals common to all Nanoscale Science Research Centers: (1) Conduct forefront research in nanoscale science; (2) Operate as a user facility for scientific research; (3) Provide user access to the relevant BES-supported expertise and capabilities at the host national laboratory; and (4) Leverage other relevant national laboratory capabilities to enhance scientific opportunities for the nanoscience user community. These additional goals are specific to the unique CINT mission: (5) Establish and lead a scientific community dedicated to solving nanoscale science integration challenges; and (6) Create a single user facility program that combines expertise and facilities at both Los Alamos and Sandia National Laboratories. The CINT user program provides the international scientific community with open access to world-class scientific staff and state-of-the-art facilities for theory and simulation, nanomaterials synthesis and characterization, and unique capabilities for nanoscale materials integration, from the level of nanoscale synthesis to the fabrication of micro- and macroscale structures and devices. The staff of CINT includes laboratory scientists, postdocs and technical support staff who are leaders in the nanoscience research programs in CINT scientific thrust areas: (1) Nanoscale Electronics and Mechanics, (2) Nanophotonics and Optical Nanomaterials, (3) Soft, Biological and Composite Nanomaterials, and (4) Theory and Simulation of Nanoscale Phenomena.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Manipulating nanoscale structure to control functionality in printed organic photovoltaic, transistor and bioelectronic devices

Printed electronics is simultaneously one of the most intensely studied emerging research areas in science and technology and one of the fastest growing commercial markets in the world today. For the past decade the potential for organic electronic (OE) materials to revolutionize this printed electronics space has been widely promoted. Such conviction in the potential of these carbon-based semiconducting materials arises from their ability to be dissolved in solution, and thus the exciting possibility of simply printing a range of multifunctional devices onto flexible substrates at high speeds for very low cost using standard roll-to-roll printing techniques. However, the transition from promising laboratory innovations to large scale prototypes requires precise control of nanoscale material and device structure across large areas during printing fabrication. Maintaining this nanoscale material control during printing presents a significant new challenge that demands the coupling of OE materials and devices with clever nanoscience fabrication approaches that are adapted to the limited thermodynamic levers available. In this review we present an update on the strategies and capabilities that are required in order to manipulate the nanoscale structure of large area printed organic photovoltaic (OPV), transistor and bioelectronics devices in order to control their device functionality. This discussion covers a range of efforts to manipulate the electroactive ink materials and their nanostructured assembly into devices, and also device processing strategies to tune the nanoscale material properties and assembly routes through printing fabrication. The review finishes by highlighting progress in printed OE devices that provide a feedback loop between laboratory nanoscience innovations and their feasibility in adapting to large scale printing fabrication. The ability to control material properties on the nanoscale whilst simultaneously printing functional devices on the square metre scale is prompting innovative developments in the targeted nanoscience required for OPV, transistor and biofunctional devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Integrated Multiscale Modeling of Molecular Computing Devices

Nanoscience has been one of the major research focuses of the U.S. and much of the world for the past decade, in part because of its promise to revolutionize many fields, including materials, medicine, and electronics. At the heart of this promise is the fact that nanostructured materials can behave radically differently than their macroscopic counterparts (e.g., bulk gold is such an inert metal that it has found applications in such diverse fields as jewelry, biomedical implants and dentistry, whereas gold nanoparticles are highly reactive and are thus useful as nanocatalysts) and have properties that are tunable due to a strong dependence on the size and surface area of the nanostructure. Thus, nanoscience offers a remarkable opportunity to develop new functional systems built around nanostructured materials with unusual and tunable properties and functionality. The transition from nanoscience to nanotechnology becomes possible when nanostructured systems can be made reproducibly by processes that can be implemented on a large scale. The microelectronics industry is one example of an industry that has evolved into the realm of nanotechnology, since the exponential reduction in feature size in computer chips has resulted in feature sizes now under 50nm (45nm in production, 32nm demonstrated; feature size has been going down by a factor of approximately 1/{radical}2 every 18 months as chip density has doubled every 18 months according to Moore's law). Silicon-based microelectronics relies on etching features into a single-crystal silicon substrate by photolithography. As the feature size of silicon-based microelectronics continues to decrease, the continuation of Moore's law to below 20nm feature sizes is being questioned, due to limitations in both the physics of the transistors (leading to unacceptable power dissipation) and doubts about the scalability of top-down photolithography-based manufacturing to such small sizes. There is no doubt that photolithography will some day reach a miniaturization limit, forcing designers of Si-based electronics to pursue increased performance by other means. Any other alternative approach would have the unenviable task of matching the ability of Si technology to pack more than a billion interconnected and addressable devices on a chip the size of a thumbnail. Nevertheless, the prospects of developing alternative approaches to fabricate electronic devices have spurred an ever-increasing pace of fundamental research. One of the promising possibilities is molecular electronics (ME), self-assembled molecular-based electronic systems composed of single-molecule devices in ultra dense, ultra fast molecular-sized components. This project focused on developing accurate, reliable theoretical modeling capabilities for describing molecular electronics devices. The participants in the project are given in Table 1. The primary outcomes of this fundamental computational science grant are publications in the open scientific literature. As listed below, 62 papers have been published from this project. In addition, the research has also been the subject of more than 100 invited talks at conferences, including several plenary or keynote lectures. Many of the goals of the original proposal were completed. Specifically, the multi-disciplinary group developed a unique set of capabilities and tools for investigating electron transport in fabricated and self-assembled nanostructures at multiple length and time scales.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Sneak Preview of Berkeley Lab's Science at the Theatre on June 6th, 2011

Babak Sanii provides a sneak preview of Berkeley Lab's next Science at the Theater Event: Big Thinking: The Power of Nanoscience. Berkeley Lab scientists reveal how nanoscience will bring us cleaner energy, faster computers, and improved medicine. Berkeley Repertory Theatre on June 6th, 2011.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

The science of tiny things: physics at the nanoscale

Nanoscience is the study of tiny objects that are only a billionth of a meter in size, or about 1,000 to 10,000 times smaller than a human hair. From the electronics in your smartphone to the molecular motors that are in your body’s cells, nanoscientists study and design materials that span a huge range of subjects, from physics to chemistry to biology. I will talk about some of what we do at LANL’s Center for Integrated Technologies, as well as how I first got interested in nanoscience and how I became a nanoscientist at LANL.

36 MATERIALS SCIENCE↗

CINT 2026 Strategic Plan

The Center for Integrated Nanotechnologies (CINT) plays a leadership role in the area of nanoscience through its function as a Department of Energy (DOE), Office of Science Nanoscale Science Research Center national user facility. By creating a collaborative community of diverse users and expert scientific staff, CINT fosters high-impact nanoscience discoveries, leads next-generation technique development, and advances the frontiers of knowledge beyond that which is achievable by individual researchers or any single institution.

77 NANOSCIENCE AND NANOTECHNOLOGY↗