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Computational Nanotechnology at NASA Ames Research Center, 1996

Some forms of nanotechnology appear to have enormous potential to improve aerospace and computer systems; computational nanotechnology, the design and simulation of programmable molecular machines, is crucial to progress. NASA Ames Research Center has begun a computational nanotechnology program including in-house work, external research grants, and grants of supercomputer time. Four goals have been established: (1) Simulate a hypothetical programmable molecular machine replicating itself and building other products. (2) Develop molecular manufacturing CAD (computer aided design) software and use it to design molecular manufacturing systems and products of aerospace interest, including computer components. (3) Characterize nanotechnologically accessible materials of aerospace interest. Such materials may have excellent strength and thermal properties. (4) Collaborate with experimentalists. Current in-house activities include: (1) Development of NanoDesign, software to design and simulate a nanotechnology based on functionalized fullerenes. Early work focuses on gears. (2) A design for high density atomically precise memory. (3) Design of nanotechnology systems based on biology. (4) Characterization of diamonoid mechanosynthetic pathways. (5) Studies of the laplacian of the electronic charge density to understand molecular structure and reactivity. (6) Studies of entropic effects during self-assembly. Characterization of properties of matter for clusters up to sizes exhibiting bulk properties. In addition, the NAS (NASA Advanced Supercomputing) supercomputer division sponsored a workshop on computational molecular nanotechnology on March 4-5, 1996 held at NASA Ames Research Center. Finally, collaborations with Bill Goddard at CalTech, Ralph Merkle at Xerox Parc, Don Brenner at NCSU (North Carolina State University), Tom McKendree at Hughes, and Todd Wipke at UCSC are underway.

Globus, Al

Nanotechnology: A Vast Field for the Creative Mind

Nanotechnology is a rapidly developing field worldwide. Nanotechnology is the development of smart systems for many different applications by building from the molecular level up. Current research, sponsored by The National Nanotechnology Alliance in the US will be described. Future needs in manpower of different disciplines will be discussed. Nanotechnology is a field of research that could allow developing countries to establish a technological infrastructure. The nature of nanotechnology requires professionals in many areas, such as engineers, chemists, physicists, mathematicians, computer scientists, materials scientists, etc. One of the materials that provide unique properties for nanotechnology is carbon nanotubes. At Goddard we have develop a process to produce nanotubes at lower costs and without metal catalysts which will be of great importance for the development of new materials for space applications and others outside NASA. Nanotechnology in general is a very broad and exciting field that will provide the technologies of tomorrow including biomedical applications for the betterment of mankind. There is room in this area for many researchers all over the world. The key is collaboration, nationally and internationally.

Benavides, Jeannette

Future Directions of the National Nanotechnology Initiative - NNI 2.0

The National Nanotechnology Initiative is a collaboration of 20 Federal agencies and departments with shared interests in nanotechnology research, development and commercialization. These agencies recognize that the ability to understand and exploit the novel phenomena that occur at the nanoscale will enabled the development of new materials and devices with properties and performance that far exceeds that of conventional systems. Due to the combined investments of the Federal government, now close to $24B, and those of industry, nanotechnology has moved out of the laboratory and into commercial products that are enhancing our daily lives. Nanotechnology-based discoveries are poised to revolutionize the way we diagnose and treat disease, radically improve the energy efficiency of aircraft and ground transportation systems, and will someday enable human exploration of Mars. This presentation will provide an overview of the National Nanotechnology Initiative, highlight some accomplishments in nanotechnology research and development, and discuss the future of the initiative.

nanotechnology

An Introduction and Overview of Interdisciplinary Nanoscience and Nanotechnology

A viewgraph presentation gives an overview of interdisciplinary nanoscience and nanotechnology by answering the questions: (1) What are nanotechnology and bionanotechnology? (2) What are some key applications of bionanotechnology? (3) Why is if of particular importance to NASA? and (4) What are some key challenges to fulfilling the promise of nanotechnology? Nanotechnology is defined and the trends and potential for nanotechnology are described. An overview of nanoelectronic devices is given.

James C. Ellenbogen

Machine Phase Fullerene Nanotechnology: 1996

NASA has used exotic materials for spacecraft and experimental aircraft to good effect for many decades. In spite of many advances, transportation to space still costs about $10,000 per pound. Drexler has proposed a hypothetical nanotechnology based on diamond and investigated the properties of such molecular systems. These studies and others suggest enormous potential for aerospace systems. Unfortunately, methods to realize diamonoid nanotechnology are at best highly speculative. Recent computational efforts at NASA Ames Research Center and computation and experiment elsewhere suggest that a nanotechnology of machine phase functionalized fullerenes may be synthetically relatively accessible and of great aerospace interest. Machine phase materials are (hypothetical) materials consisting entirely or in large part of microscopic machines. In a sense, most living matter fits this definition. To begin investigation of fullerene nanotechnology, we used molecular dynamics to study the properties of carbon nanotube based gears and gear/shaft configurations. Experiments on C60 and quantum calculations suggest that benzyne may react with carbon nanotubes to form gear teeth. Han has computationally demonstrated that molecular gears fashioned from (14,0) single-walled carbon nanotubes and benzyne teeth should operate well at 50-100 gigahertz. Results suggest that rotation can be converted to rotating or linear motion, and linear motion may be converted into rotation. Preliminary results suggest that these mechanical systems can be cooled by a helium atmosphere. Furthermore, Deepak has successfully simulated using helical electric fields generated by a laser to power fullerene gears once a positive and negative charge have been added to form a dipole. Even with mechanical motion, cooling, and power; creating a viable nanotechnology requires support structures, computer control, a system architecture, a variety of components, and some approach to manufacture. Additional information is contained within the original extended abstract.

Globus, Al

Nanotechnology Innovations

Nanotechnology is rapidly affecting all engineering disciplines as new products and applications are being found and brought to market. This session will present an overview of nanotechnology and let you learn about the advances in the field and how it could impact you. Some of the areas touched upon will be nanomaterials with their multifunctional capabilities, nanotechnology impact on energy systems, nanobiotechnology including nanomedicine, and nanotechnology relevant to space systems with a focus on ECLSS. Also, some important advances related to thermal systems will be presented as well as future predictions on nanotechnology.

Malroy, Eric

Nanotechnology Concepts at MSFC: Engineering Directorate

Nanotechnology is the art and science of building materials and devices at the ultimate level of finesse: atom by atom. Our nation's space program has needs for miniaturization of components, minimization of weight and maximization of performance, and nanotechnology will help us get there. MSFC - Engineering Directorate (ED) is committed to developing nanotechnology that will enable MSFC missions in space transportation, space science and space optics manufacturing. MSFC-ED has a dedicated group of technologists who are currently developing high pay-off nanotechnology concepts. This poster presentation will outline some of the concepts being developed at this time including, nanophase structural materials, carbon nanotube reinforced metal and polymer matrix composites, nanotube temperature sensors and aerogels. The poster will outline these concepts and discuss associated technical challenges in turning these concepts into real components and systems.

Bhat, Biliyar

Nanotechnology Concepts at Marshall Space Flight Center: Engineering Directorate

Nanotechnology is the art and science of building materials and devices at the ultimate level of finesse: atom by atom. Our nation's space program has need for miniaturization of components, minimization of weight, and maximization of performance, and nanotechnology will help us get there. Marshall Space Flight Center's (MSFC's) Engineering Directorate is committed to developing nanotechnology that will enable MSFC missions in space transportation, space science, and space optics manufacturing. MSFC has a dedicated group of technologists who are currently developing high-payoff nanotechnology concepts. This poster presentation will outline some of the concepts being developed including, nanophase structural materials, carbon nanotube reinforced metal and polymer matrix composites, nanotube temperature sensors, and aerogels. The poster will outline these concepts and discuss associated technical challenges in turning these concepts into real components and systems.

Bhat, B.

Scaling Properties of Algorithms in Nanotechnology

At the present time, several technologies are pressing the limits of microminiature manufacturing. In semiconductor technology, for example, the Intel Pentium Pro (which is used in the Department of Energy's ASCI 'red' parallel supercomputer system) and the DEC Alpha 21164 (which is used in the CRAY T3E) both are fabricated using 0.35 micron process technology. Recently Texas Instruments (TI) announced the availability of 0.25 micron technology chips by the end of 1996 and plans to have 0.18 micron devices in production within two years. However, some significant challenges lie down the road. These include the skyrocketing cost of manufacturing plants, the 0.1 micron foreseeable limit of the photolithography process, quantum effects, data communication bandwidth limitations, heat dissipation, and others. Some related microminiature technologies include micro-electromechanical systems (MEMS), opto-electronic devices, quantum computing, biological computing, and others. All of these technologies require the fabrication of devices whose sizes are approaching the nanometer level. As such they are often collectively referred to with the name 'nanotechnology'. Clearly nanotechnology in this general sense is destined to be a very important technology of the 21st century. The ultimate dream in this arena is 'molecular nanotechnology', in other words the fabrication of devices and materials with most or all atoms and molecules in a pre-programmed position, possibly placed there by 'nano-robots'. This futuristic capability will probably not be achieved for at least two decades. However, it appears that somewhat less ambitious variations of molecular nanotechnology, such as devices and materials based on 'buckyballs' and 'nanotubes' may be realized significantly sooner, possibly within ten years or so. Even at the present time, semiconductor devices are approaching the regime where quantum chemical effects must be considered in design.

Saini, Subhash

Bio-Nanotechnology: Challenges for Trainees in a Multidisciplinary Research Program

The recent developments in the field of nanotechnology have provided scientists with a new set of nanoscale materials, tools and devices in which to investigate the biological science thus creating the mulitdisciplinary field of bio-nanotechnology. Bio-nanotechnology merges the biological sciences with other scientific disciplines ranging from chemistry to engineering. Todays students must have a working knowledge of a variety of scientific disciplines in order to be successful in this new field of study. This talk will provide insight into the issue of multidisciplinary education from the perspective of a graduate student working in the field of bio-nanotechnology. From the classes we take to the research we perform, how does the modern graduate student attain the training required to succeed in this field?

Koehne, Jessica Erin

Six-Letter DNA Nanotechnology: Incorporation of Z-P Base Pairs into Self-Assembling 3D Crystals

Artificially expanded genetic information systems (AEGIS) were developed to expand the diversity and functionality of biological systems. Recent experiments have shown that these expanded DNA molecular systems are robust platforms for information storage and retrieval as well as useful for basic biotechnologies. In tandem, nucleic acid nanotechnology has seen the use of information-based “semantomorphic” encoding to drive the self-assembly of a vast array of supramolecular devices. To establish the effectiveness of AEGIS toward nanotechnological applications, we investigated the ability of a six-letter alphabet composed of A:T, G:C and synthetic Z:P (Z, 6-amino-3-(1'-β- D-2'-deoxy ribofuranosyl)-5-nitro-(1H)-pyridin-2-one; P, 2-amino-8-(1'- β-D-2'-deoxyribofuranosyl)-imidazo-[1,2a]-1,3,5-triazin-(8H)-4-one) base pairs to engage in 3D self-assembly. We found that crystals could be programmably assembled from AEGIS oligomers. We conclude that unnatural base pairs can be used for the topological self-assembly of crystals. We anticipate the expansion of AEGISbased nucleic acid nanotechnologies to enable the development of novel nanomaterials, high-fidelity signal cascades, and dynamic nanoscale devices.

59 BASIC BIOLOGICAL SCIENCES

High Performance Parallel Computational Nanotechnology

At a recent press conference, NASA Administrator Dan Goldin encouraged NASA Ames Research Center to take a lead role in promoting research and development of advanced, high-performance computer technology, including nanotechnology. Manufacturers of leading-edge microprocessors currently perform large-scale simulations in the design and verification of semiconductor devices and microprocessors. Recently, the need for this intensive simulation and modeling analysis has greatly increased, due in part to the ever-increasing complexity of these devices, as well as the lessons of experiences such as the Pentium fiasco. Simulation, modeling, testing, and validation will be even more important for designing molecular computers because of the complex specification of millions of atoms, thousands of assembly steps, as well as the simulation and modeling needed to ensure reliable, robust and efficient fabrication of the molecular devices. The software for this capacity does not exist today, but it can be extrapolated from the software currently used in molecular modeling for other applications: semi-empirical methods, ab initio methods, self-consistent field methods, Hartree-Fock methods, molecular mechanics; and simulation methods for diamondoid structures. In as much as it seems clear that the application of such methods in nanotechnology will require powerful, highly powerful systems, this talk will discuss techniques and issues for performing these types of computations on parallel systems. We will describe system design issues (memory, I/O, mass storage, operating system requirements, special user interface issues, interconnects, bandwidths, and programming languages) involved in parallel methods for scalable classical, semiclassical, quantum, molecular mechanics, and continuum models; molecular nanotechnology computer-aided designs (NanoCAD) techniques; visualization using virtual reality techniques of structural models and assembly sequences; software required to control mini robotic manipulators for positional control; scalable numerical algorithms for reliability, verifications and testability. There appears no fundamental obstacle to simulating molecular compilers and molecular computers on high performance parallel computers, just as the Boeing 777 was simulated on a computer before manufacturing it.

Saini, Subhash

NanoDesign: Concepts and Software for a Nanotechnology Based on Functionalized Fullerenes

Eric Drexler has proposed a hypothetical nanotechnology based on diamond and investigated the properties of such molecular systems. While attractive, diamonoid nanotechnology is not physically accessible with straightforward extensions of current laboratory techniques. We propose a nanotechnology based on functionalized fullerenes and investigate carbon nanotube based gears with teeth added via a benzyne reaction known to occur with C60. The gears are single-walled carbon nanotubes with appended coenzyme groups for teeth. Fullerenes are in widespread laboratory use and can be functionalized in many ways. Companion papers computationally demonstrate the properties of these gears (they appear to work) and the accessibility of the benzyne/nanotube reaction. This paper describes the molecular design techniques and rationale as well as the software that implements these design techniques. The software is a set of persistent C++ objects controlled by TCL command scripts. The c++/tcl interface is automatically generated by a software system called tcl_c++ developed by the author and described here. The objects keep track of different portions of the molecular machinery to allow different simulation techniques and boundary conditions to be applied as appropriate. This capability has been required to demonstrate (computationally) our gear's feasibility. A new distributed software architecture featuring a WWW universal client, CORBA distributed objects, and agent software is under consideration. The software architecture is intended to eventually enable a widely disbursed group to develop complex simulated molecular machines.

Globus, Al

NASA Applications of Molecular Nanotechnology

Laboratories throughout the world are rapidly gaining atomically precise control over matter. As this control extends to an ever wider variety of materials, processes and devices, opportunities for applications relevant to NASA's missions will be created. This document surveys a number of future molecular nanotechnology capabilities of aerospace interest. Computer applications, launch vehicle improvements, and active materials appear to be of particular interest. We also list a number of applications for each of NASA's enterprises. If advanced molecular nanotechnology can be developed, almost all of NASA's endeavors will be radically improved. In particular, a sufficiently advanced molecular nanotechnology can arguably bring large scale space colonization within our grasp.

Globus, Al

Molecular Nanotechnology and Space Settlement

Atomically precise manipulation of matter is becoming increasingly common in laboratories around the world. As this control moves into aerospace systems, huge improvements in computers, high-strength materials, and other systems are expected. For example, studies suggest that it may be possible to build: 10(exp 18) MIPS computers, 10(exp 15) bytes/sq cm write once memory, $153-412/kg-of-cargo single- stage-to-orbit launch vehicles and active materials which sense their environment and react intelligently. All of NASA's enterprises should benefit significantly from molecular nanotechnology. Although the time may be measured in decades and the precise path to molecular nanotechnology is unclear, all paths (diamondoid, fullerene, self-assembly, biomolecular, etc.) will require very substantial computation. This talk will discuss fullerene nanotechnology and early work on hypothetical active materials consisting of large numbers of identical machines. The speaker will also discuss aerospace applications, particularly missions leading to widespread space settlement (e.g., small near-Earth - object retrieval). It is interesting to note that control of the tiny - individual atoms and molecules - may lead to colonization of the huge -first the solar system, then the galaxy.

Globus, Al

Nanotechnology: A Vast Field For The Creative Mind

This viewgraph presentation gives examples of possible future uses of nanotechnology, with some emphasis on carbon nanotubes and medical applications. The presentation provides an overview of organizations conducting nanotechnology research in the United States, and suggests a timeline for nanotechnology development.

Benavides, Jeannette

Applied Nanotechnology for Human Space Exploration

A viewgraph presentation describing nanotechnology for human space exploration is shown. The topics include: 1) NASA's Strategic Vision; 2) Exploration Architecture; 3) Future Exploration Mission Requirements Cannot be met with Conventional Materials; 4) Nanomaterials: Single Wall Carbon Nanotubes; 5) Applied Nanotechnology at JSC: Fundamentals to Applications; 6) Technology Readiness Levels (TRL); 7) Growth, Modeling, Diagnostics and Production; 8) Characterization: Purity, Dispersion and Consistency; 9) Processing; 10) Nanoelectronics: Enabling Technologies; 11) Applications for Human Space Exploration; 12) Exploration Life Support: Atmosphere Revitalization System; 13) Advanced and Exploration Life Support: Regenerable CO2 Removal; 14) Exploration Life Support: Water Recovery; 15) Advanced Life Support: Water Disinfection/Recovery; 16) Power and Energy: Supercapacitors and Fuel Cells; 17) Nanomaterials for EMI Shielding; 18) Active Radiation Dosimeter; 19) Advanced Thermal Protection System (TPS) Repair; 20) Thermal Radiation and Impact Protection (TRIPS); 21) Nanotechnology: Astronaut Health Management; 22) JSC Nanomaterials Group Collaborations.

Yowell, Leonard L.

Testing Prospects for Reliable Diatom Nanotechnology in Microgravity

The worldwide effort to grow nanotechnology, rather than use lithography, focuses on diatoms, single cell eukaryotic algae with ornate silica shells, which can be replaced by oxides and ceramics, or reduced to elemental silicon, to create complex nanostructures with compositions of industrial and electronics importance. Diatoms produce an enormous variety of structures, some of which are microtubule dependent and perhaps sensitive to microgravity. The NASA Single Loop for Cell Culture (SLCC) for culturing and observing microorganisms permits inexpensive, low labor in-space experiments. We propose to send up to the International Space Station diatom cultures of the three diatom species whose genomes are being sequenced, plus the giant diatoms of Antarctica (up to 2 mm diameter for a single cell) and the unique colonial diatom, Bacillaria paradoxa. Bacillaria cells move against each other in partial synchrony, like a sliding deck of cards, by a microfluidics mechanism. Will normal diatoms have aberrant pattern and shape or motility compared to ground controls? The generation time is typically one day, so that many generations may be examined from one flight. Rapid, directed evolution may be possible running the SLCC as a compustat. The shell shapes and patterns are preserved in hard silica, so that the progress of normal and aberrant morphogenesis may be followed by drying samples on a moving filter paper "diatom tape recorder". With a biodiversity of 100,000 distinct species, diatom nanotechnology may offer a compact and portable nanotechnology toolkit for exploration anywhere.

Gordon, Richard