From merkle@parc.xerox.com Wed Feb 3 07:53:16 1993 From: Ralph Merkle To: chemistry@ccl.net Subject: Re: Computational Chem and Nanotechnologies Message-Id: <93Feb3.155318pst.12171@manarken.parc.xerox.com> Date: Wed, 3 Feb 1993 15:53:16 PST The journal "Nanotechnology" had a special issue on the recent Second International Conference on Molecular Nanotechnology. Two articles of particular interest to this list would be: "Computational Nanotechnology" and "Theoretical studies of a hydrogen abstraction tool for nanotechnology" Also, Drexler's new technical book, "Nanosystems: Molecular Machinery, Manufacturing, and Computation" is now available. Bill Goddard said: "With this book, Drexler has established the field of molecular nanotechnology. The detailed analyses show quantum chemists and synthetic chemists how to build upon their knowledge of bonds and molecules to develop the manufacturing systems of nanotechnology, and show physicists and engineers how to scale down their concepts of macroscopic systems to the level of molecules." Further information on "Nanosystems" is at the end of this E-mail. The Third International Conference on Molecular Nanotechnology will likely be held this fall (probably October or November) and will focus specifically on computational nanotechnology, e.g., designing and modeling molecular machines and devices using presently available computational chemistry software, as well as developing software tools that would be useful for the design and modeling of such systems. While "nanotechnology" has become something of a buzzword with a rather blurry meaning, the term "molecular manufacturing" still has a specific meaning, consistent with the usage by Drexler in "Nanosystems." There is increasing interest in molecular manufacturing from all quarters. Even Al Gore is interested, as evidenced by his comments when he invited Drexler to testify to his senate subcommittee (back when he was a Senator) last June. ----------------------------------------------------- The quarterly technical journal "Nanotechnology" has published a special issue on the Second Foresight Conference on Molecular Nanotechnology that was held last year near Stanford. Anyone seriously interested in nanotechnology should subscribe to this journal (or get their library to subscribe) and particularly should get a copy of this special issue. This is rapidly becoming the accepted place to publish technical articles in this area. The special issue is Volume 2, Numbers 3 & 4, July/October 1991. ISSN: 0957-4484. Table of Contents, Volume 2 Number 3: "Molecular directions in nanotechnology" K. Eric Drexler "Tip-sample interactions in atomic force microscopy: I. Modulating adhesion between silicon nitride and glass" J. H. Hoh, J-P Revel and P K Hansma "The bacterial rotary motor" D F Blair "Computational Nanotechnology" R C Merkle "A combinational optimization approach to molecular design" J P Knight and G J McRae "The use of branched DNA for nanoscale fabrication" N C Seeman "Development of molecular patterning and immobilization techniques for scanning tunnelling microscopy and atomic force microscopy" P Connolly, J Cooper, G R Moores, J Shen and G Thompson Table of Contents, Volume 2 Number 4: "Self-organizing molecular photonic structures based on functionalized synthetic nucleic acid (DNA) polymers" M J Heller and R H Tullis "Biological applications of scannning tunnelling microscopy: novel software algorithms for the display, manipulation and interpretation of STM data" P M Williams, M C Davies, D E Jackson, C J Roberts, S J B Tendler and M J Wilkins "A study of nanostructure assemblies and guest-host interactions in sodium zeolite-Y using 23Na double-rotation NMR" R Jelinek, A Pines, S Ozkar and G A Ozin "Theoretical studies of a hydrogen abstraction tool for nanotechnology" C B Musgrave, J K Perry, R C Merkle and W A Goddard III "Two-dimensional (glyco)protein crystals as patterning elements for the controlled immobilization of functional molecules" D Pum, M Sara, P Messner and U B Sleytr "Self-assembly approach to protein design" M Lieberman, M Tabet, D Tahmassebi, Jingli Zhang and T Sasaki "Polymerization of immunoglobulin domains: a model system for the development of facilitated macromolecular assembly" F J Stevens and E A Myatt "Cyanobiphenyl-group alignment observed by a scanning tunneling microscope" H Nejoh, D P E Smith and M Aono The following information is taken from the special issue: "Nanotechnology" is an international multidisciplinary journal publishing research papers aimed at promoting the dissemination of research and improving understanding of nanometre scale phenomena among the engineering, fabrication, optics, electronics, materials sciences, biological and medical communities. It is hoped that the existence of this forum for the discussion and communication of new research will clarify our vision of miniaturisation as a scientific endeavour and help to convert our vision of the future into a reality -- today. Published by IOP Publishing Ltd. Techno House, Redcliffe Way Bristol BS1 6NX, UK Subscription information Volume 2 (4 issues), 1991, 120.00 pounds (US$215.00) Single-issue price: 30.00 pounds All orders other than for the United States, Canada and Mexico should be sent to: Order Processing Department IOP Publishing Ltd. Techno House Redcliffe Way Bristol BS1 6NX UK For the United States, Canada and Mexico, all orders should be sent to: American Institute of Physics Subscriber Services 500 Sunnyside Boulevard Woodbury, NY 11797-2999 USA ---------------------------------------------- "Nanosystems: Molecular Machinery, Manufacturing, and Computation" by K. Eric Drexler, published by John Wiley & Sons, 1992 ($24.95). It can be ordered directly from Wiley by calling (800) 225-5945 ext 2497 (or call their main number 212-850-6000 and ask to order a book). They accept major credit cards. "With this book, Drexler has established the field of molecular nanotechnology. The detailed analyses show quantum chemists and synthetic chemists how to build upon their knowledge of bonds and molecules to develop the manufacturing systems of nanotechnology, and show physicists and engineers how to scale down their concepts of macroscopic systems to the level of molecules." William A. Goddard III, Professor of Chemistry and Applied Physics, Director, Materials and Molecular Simulation Center, California Institute of Technology "Devices enormously smaller than before will remodel engineering, chemistry, medicine, and computer technology. How can we understand machines that are so small? NANOSYSTEMS covers it all: power and strength, friction and wear, thermal noise and quantum uncertainty. This is THE book for starting the next century of engineering." Marvin Minsky, Professor of Electrical Engineering and Computer Science, Toshiba Professor of Media Arts and Sciences, Massachusetts Institute of Technology "Manufactured products are made from atoms, and their properties depend on how those atoms are arranged. This volume summarizes 15 years of research in molecular manufacturing, the use of nanoscale mechanical systems to guide the placement of reactive molecules, building complex structures with atom-by-atom control. This degree of control is a natural goal for technology: Microtechnology strives to build smaller devices; materials science strives to make more useful solids; chemistry strives to synthesize more complex molecules; manufacturing strives to make better products. Each of these fields requires precise, molecular control of complex structures to reach its natural limit, a goal that has been termed molecular nanotechnology." "It has become clear that this degree of control can be achieved. The present volume assembles the conceptual and analytical tools needed to understand molecular machinery and manufacturing, presents an analysis of their core capabilities and explores how present laboratory techniques can be extended, stage by stage, to implement molecular manufacturing systems." K. Eric Drexler, from the preface >From the table of contents: 1. Introduction and Overview 1.1 Why molecular manufacturing? 1.2 What is molecular manufacturing? 1.3 Comparisons 1.4 The approach in this volume 1.5 Objectives of following chapters Part I 2. Classical Magnitudes and Scaling Laws 2.1 Overview 2.2 Approximation and classical continuum models 2.3 Scaling of classical mechanical systems 2.4 Scaling of electromagnetic systems 2.5 Scaling of classical thermal systems 2.6 Beyond classical continuum models 2.7 Conclusions 3. Potential Energy Surfaces 3.1 Overview 3.2 Quantum theory and approximations 3.3 Molecular Mechanics 3.4 Potentials for chemical reactions 3.5 Continuum representations of surfaces 3.6 Conclusions 3.7 Further readings 4. Molecular Dynamics 4.1 Overview 4.2 Nonstatistical mechanics 4.3 Statistical mechanics 4.4 PES revisited: accuracy requirements 4.5 Conclusions 4.6 Further Reading 5. Positional Uncertainty 5.1 Overview 5.2 Positional uncertainty in engineering 5.3 Thermally excited harmonic oscillators 5.4 Elastic extension of thermally excited rods 5.5 Elastic bending of thermally excited rods 5.6 Piston displacement in a gas-filled cylinder 5.7 Longitudinal variance from transverse deformation 5.8 Elasticity, entropy, and vibrational modes 5.9 Conclusions 6. Transistions, Errors, and Damage 6.1 Overview 6.2 Transitions between potential wells 6.3 Placement errors 6.4 Thermomechanical damage 6.5 Photochemical damage 6.6 Radiation damage 6.7 Component and system lifetimes 6.8 Conclusions 7. Energy Dissipation 7.1 Overview 7.2 Radiation from forced oscillations 7.3 Phonons and phonon scattering 7.4 Thermoelastic damping and phonon viscosity 7.5 Compression of potential wells 7.6 Transitions among time-dependent wells 7.7 Conclusions 8. Mechanosynthesis 8.1 Overview 8.2 Perspectives on solution-phase organic synthesis 8.3 Solution-phase synthesis and mechanosynthesis 8.4 Reactive species 8.5 Forcible mechanochemical processes 8.6 Mechanosynthesis of diamondoid structures 8.7 Conclusions Part II 9. Nanoscale Structural Components 9.1 Overview 9.2 Components in context 9.3 Materials and models for nanoscale components 9.4 Surface effects on component properties 9.5 Shape control in irregular structures 9.6 Components of high rotational symmetry 9.7 Adhesive interfaces 9.8 Conclusions 10. Mobile Interfaces and Moving Parts 10.1 Overview 10.2 Spatial Fourier transforms of nonbonded potentials 10.3 Sliding of irregular objects over regular surfaces 10.4 Symmetrical sleeve bearings 10.5 Further applications of sliding-interface bearings 10.6 Atomic-axle bearings 10.7 Gears, rollers, belts, and cams 10.8 Barriers in extended systems 10.9 Dampers, detents, clutches, and ratchets 10.10 Perspective: nanomachines and macromachines 10.11 Bounded continuum models revisited 10.12 Conclusions 11. Intermediate Subsystems 11.1 Overview 11.2 Mechanical measurment devices 11.3 Stiff, high gear-ratio mechanisms 11.4 Fluids, seals, and pumps 11.5 Convective cooling systems 11.6 Electromechanical devices 11.7 DC motors and generators 11.8 Conclusions 12. Nanomechanical Computational Systems 12.1 Overview 12.2 Digital signal transmission with mechanical rods 12.3 Gates and logic rods 12.4 Registers 12.5 Combinational logic and finite-state machines 12.6 Survey of other devices and subsystems 12.7 CPU-scale systems: clocking and power supply 12.8 Cooling and computational capacity 12.9 Conclusion 13. Molecular Sorting, Processing, and Assembly 13.1 Overview 13.2 Sorting and ordering molecules 13.3 Transformation and assembly with molecular mills 13.4 Assembly operations using molecular manipulators 13.5 Conclusions 14. Molecular Manufacturing Systems 14.1 Overview 14.2 Assembly operations at intermediate scales 14.3 Architectural issues 14.4 An examplar manufacturing-system architecture 14.5 Comparisons to conventional manufacturing 14.6 Design and complexity 14.7 Conclusions Part III 15. Macromolecular Engineering 15.1 Overview 15.2 Macromolecular objects via biotechnology 15.3 Macromolecular objects via solution synthesis 15.4 Macromolecular objects via mechanosynthesis 15.5 Conclusions 16. Paths to Molecular Manufacturing 16.1 Overview 16.2 Backward chaining to identify strategies 16.3 Smaller, simpler systems (stages 3-4) 16.4 Softer, smaller, solution-phase systems (stages 2-3) 16.5 Development time: some considerations 16.6 Conclusions Appendix A. Methodological Issues in Theoretical and Applied Science A.1 The role of theoretical applied science A.2 Basic issues A.3 Science, engineering, and theoretical applied science A.4 Issues in theoretical applied science A.5 A sketch of some epistemological issues A.6 Theoretical applied science as intellectual scaffolding A.7 Conclusions Appendix B. Related Research B.1 Overview B.2 How related fields have been divided B.3 Mechanical engineering and microtechnology B.4 Chemistry B.5 Molecular biology B.6 Protein engineering B.7 Proximal probe technologies B.8 Feynman's 1959 talk B.9 Conclusions Afterword Symbols, Units, and Constants Glossary References Index 556 pages in length.