Build sequences for mechanosynthesis
Methods for creating build sequences which are determined using computational chemistry algorithms to simulate mechanosynthetic reactions, and which may use the mechanosynthesis process conditions or equipment limitations in these simulations, and which facilitate determining a set of mechanosynthetic reactions that will build an atomically-precise workpiece with a desired degree of reliability. Included are methods for error correction of pathological reactions or avoidance of pathological reactions. Libraries of reactions may be used to reduce simulation requirements.
1. A method of creating a build sequence for a workpiece comprising:
a. at least one of the steps of,
using computational chemistry algorithms to simulate mechanosynthetic reactions at a given temperature and with realistic equipment limitations to compute a degree of reliability for said mechanosythetic reactions, and
choosing pre-computed mechanosynthetic reactions from a library wherein the degree of reliability of such reactions has already been computed; and
b. determining a set of, and order of, the computed mechanosynthetic reactions that will build the workpiece with a desired degree of reliability.
2. The method of claim 1 wherein the order in which said mechanosynthetic reactions are to be performed is determined at least in part by steric considerations.
3. The method of claim 1 wherein the order in which mechanosynthetic reactions are to be performed is determined at least in part to avoid undesired rearrangements in intermediate workpiece structures.
4. The method of claim 1 wherein one or more of the mechanosynthetic reactions use a plurality of tips simultaneously.
5. The method of claim 1 wherein the computational chemistry algorithms simulate the use of atomically-precise tips.
6. The method of claim 5 wherein the atomically-precise tips are comprised of adamantane-like structures.
7. A method of creating a build sequence for a workpiece, comprising:
a. defining the atomic coordinates of the workpiece in a computer memory accessible by a computer;
b. defining the positional error in a positional device used in the workpiece manufacturing process such that the defined positional error is accessible to the computer; and
c. using computational chemistry algorithms in conjunction with the computer to determine an order and set of mechanosynthetic reactions, that, given the positional error in the positional device used in the workpiece manufacturing process, can be used to build the workpiece to a known degree of reliability.
8. The method of claim 1 further comprising the determination of a revised or conditional build sequence which will correct errors which occur in said mechanosynthetic reactions.
9. A method of employing a mechanosynthetic build sequence, comprising:
a. loading a mechanosynthetic build sequence into a computer memory that is connected to a computer, said build sequence comprising an ordered sequence of mechanosynthetic reactions for which the degree of reliability in positioning feedstock at a specific site, at a given temperature and with realistic equipment capabilities including sub-angstrom positional accuracy, has been calculated, the build sequence having been determined capable of creating a workpiece with a desired degree of reliability, wherein said computer is connected to a positional device that meets the equipment capabilities used to calculate reaction reliability; and
b. operating said positional device under control of said computer at a temperature no greater than the given temperature used to calculate reaction reliability so as to carry out a plurality of mechanosynthetic reactions from said build sequence.
10. The method of claim 1 wherein the workpiece has at least 100 atoms.
11. The method of claim 10 wherein the workpiece is aperiodic.
12. The method of claim 10 wherein the workpiece is three-dimensional.
13. The method of claim 7 further comprising the determination of a revised or conditional build sequence which will correct errors which occur in said mechanosynthetic reactions.
14. The method of claim 7 wherein the order in which said mechanosynthetic reactions are to be performed is determined at least in part by steric considerations.
15. The method of claim 7 wherein the order in which mechanosynthetic reactions are to be performed is determined at least in part to avoid undesired rearrangements in intermediate workpiece structures.
16. The method of claim 7 wherein one or more of the mechanosynthetic reactions use a plurality of tips simultaneously.
17. The method of claim 7 wherein the computational chemistry algorithms simulate the use of atomically-precise tips.
18. The method of claim 7 wherein the workpiece has at least 100 atoms.
19. The method of claim 18 wherein the workpiece is aperiodic.
20. The method of claim 18 wherein the workpiece is three-dimensional.