Using the multireference configuration interaction method with a Davidson correction and a large orbital basis set (aug-cc-pVQZ), we obtain an energy grid that includes 32 038 points for the construction of a new analytical potential energy surface (APES) for the Ne + H(2)(+) → NeH(+) + H reaction. The APES is represented as a many-body expansion containing 142 parameters, which are fitted from 31 000 ab initio energies using an adaptive nonlinear least-squares algorithm. The geometric characteristics of the reported APES and the one presented here are also compared. On the basis of the APES we obtained, reaction cross sections are computed by means of quasi-classical trajectory (QCT) calculations and compared with the experimental and theoretical data in the literature.

No abstract

Due to demands for stability, accuracy and lower postoperative complication in surgery, robotic surgical assistants may assist surgeons by performing specific subtasks such as suturing and knot-tying to reduce surgeon tedium and duration of some exhausting operations. To improve the surgical knot quality and accelerate healing for patients in surgery, trajectory planning of suture clamping point in knot-tying manipulation using a master-slave robot is discussed based on the surgeon’s manual motion of knot-tying. First, the manual knot-tying process is described, and then according to task sequences, trajectories planning of suture clamping point in looping step based on motion synthesis of rotating joint and swinging joint and pulling step based on slip knot theory are proposed separately to form a knot. To verify the reasonability of trajectory planning, knot-tying motion is simulated by Solidworks. And finally the knot-tying experiment is implemented on the specific robotic setup. The results show that the proposed trajectory planning of knot-tying is feasible in the automation of surgical knot-tying manipulation.

No abstract

No abstract