From:	Ralph Merkle <merkle \\at// parc.xerox.com>
Date:	Wed, 3 Feb 1993 15:53:16 PST
Subject:	Re: Computational Chem and Nanotechnologies

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.




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