Theoretical Analysis of Diamond Mechanosynthesis:
Positional C2 Deposition on Diamond C(110) Surface Using Si/Ge/Sn-Based Dimer Placement Tools
An important new research paper on the simulation of tooltip designs for molecular manufacturing is now available online. One of the lead authors, Robert A. Freitas Jr., tells us:
The paper was published in February 2006 in the peer-reviewed Journal of Computational and Theoretical Nanoscience. It reports that the most-studied mechanosynthesis tooltip motif (DCB6Ge) successfully places a C2 carbon dimer on a C(110) diamond surface at both 300K (room temperature) and 80K (liquid nitrogen temperature), and that the silicon variant (DCB6Si) also works at 80K but not at 300K. Maximum acceptable limits for tooltip translational and rotational misplacement errors are reported in the paper. Over 100,000 CPU hours were invested in this study. The DCB6 tooltip motif, initially described at a Foresight Conference in 2002, was the first complete tooltip ever proposed for diamond mechanosynthesis and remains the only tooltip motif that has been successfully simulated for its intended function on a full 200-atom diamond surface.
Through these detailed computer simulations, we are learning a great deal about the performance properties of different tips at different temperatures. Basically, this says that the germanium (DBC6Ge) tooltip should work reliably at room temperature. Also, it appears that there is no problem placing dimers with a one dimer gap, although placing them directly adjacent can cause some defect formation.
(Thanks to Brian Wang and Chris Phoenix for technical intepretation.)
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