Build Sequences for Mechanosynthesis

Abstract

Build sequences for fabricating an atomically-precise product can be determined using computational chemistry algorithms to simulate mechanosynthetic reactions, and which may use the mechanosynthesis process conditions or equipment limitations in these simulations, to determine a set of mechanosynthetic reactions that will build an atomically-precise workpiece with a desired degree of reliability. Methods for error correction of pathological reactions or avoidance of pathological reactions are disclosed. Libraries of reactions may be used to reduce simulation requirements.

1 . A method of employing a mechanosynthetic build sequence, comprising the steps of:
 providing a computer access to a mechanosynthetic build sequence, the build sequence comprising an ordered sequence of mechanosynthetic reactions, the build sequence having been determined capable of creating a specified workpiece with a desired degree of reliability,   providing a positional device; and   operating the positional device under control of the computer so as to carry out a plurality of mechanosynthetic reactions from the build sequence.   
     
     
         2 . The method of  claim 1  wherein said step of providing a computer access comprises loading the build sequence into a computer memory connected to the computer. 
     
     
         3 . The method of  claim 1  wherein at least one of the mechanosynthetic reactions in the build sequence is used to temporarily passivate or reduce the valence of at least one atom while creating the specified product, and at least one subsequent reaction depassivates or increases the valence of said at least one atom. 
     
     
         4 . The method of  claim 1  wherein said workpiece is three-dimensional. 
     
     
         5 . The method of  claim 1  wherein the workpiece has at least 100 atoms. 
     
     
         6 . The method of  claim 1  wherein said workpiece comprises diamondoid. 
     
     
         7 . The method of  claim 1  wherein said workpiece comprises diamond. 
     
     
         8 . The method of  claim 1  wherein the workpiece is aperiodic. 
     
     
         9 . The method of  claim 1  wherein the order in which the mechanosynthetic reactions are performed is determined at least in part by steric considerations. 
     
     
         10 . The method of  claim 1  wherein the order in which the mechanosynthetic reactions are performed is determined at least in part to avoid undesired rearrangements in intermediate workpiece structures. 
     
     
         11 . A method for implementing a build sequence to fabricate a specified atomically-precise product, the method comprising the steps of:
 providing at least one mechanosynthetic tip mounted to at least one positional device having the capability of sub-angstrom positional accuracy; and   using the at least one positional device to transfer feedstock onto a workpiece by moving the at least one mechanosynthetic tip,
 wherein the at least one mechanosynthetic tip is moved according to an ordered sequence of mechanosynthetic reactions that have a calculated degree of reliability at a given temperature and with the limitations of the at least one positional device taken into account, and the entire ordered sequence having been determined capable of creating the specified product with a desired degree of reliability based upon the calculated reliabilities of the individual reactions in the ordered sequence. 
   
     
     
         12 . The method of  claim 11  wherein at least one of the mechanosynthetic reactions in the build sequence is used to temporarily passivate or reduce the valence of at least one atom while creating the specified product, and at least one subsequent reaction depassivates or increases the valence of said at least one atom. 
     
     
         13 . The method of  claim 11  wherein the workpiece is three-dimensional. 
     
     
         14 . The method of  claim 11  wherein the workpiece has at least 100 atoms. 
     
     
         15 . The method of  claim 11  wherein the workpiece comprises diamondoid. 
     
     
         16 . The method of  claim 11  wherein the workpiece comprises diamond. 
     
     
         17 . The method of  claim 11  wherein the workpiece is aperiodic. 
     
     
         18 . The method of  claim 11  wherein the order in which the mechanosynthetic reactions are performed is determined at least in part by steric considerations. 
     
     
         19 . The method of  claim 11  wherein the order in which the mechanosynthetic reactions are performed is determined at least in part to avoid undesired rearrangements in intermediate workpiece structures.