In order to overcome the shortcomings of the previous obstacle avoidance algorithms,an obstacle avoidance algorithm applicable to multiple mobile obstacles was proposed.The minimum prediction distance between obstacle...In order to overcome the shortcomings of the previous obstacle avoidance algorithms,an obstacle avoidance algorithm applicable to multiple mobile obstacles was proposed.The minimum prediction distance between obstacles and a manipulator was obtained according to the states of obstacles and transformed to escape velocity of the corresponding link of the manipulator.The escape velocity was introduced to the gradient projection method to obtain the joint velocity of the manipulator so as to complete the obstacle avoidance trajectory planning.A7-DOF manipulator was used in the simulation,and the results verified the effectiveness of the algorithm.展开更多
In silico prediction of potential synthetic targets is the prerequisite for function-led discovery of new zeolites. Millions of hypothetical zeolitic structures have been predicted via various computational methods, b...In silico prediction of potential synthetic targets is the prerequisite for function-led discovery of new zeolites. Millions of hypothetical zeolitic structures have been predicted via various computational methods, but most of them are experimentally inaccessible under conventional synthetic conditions.Screening out unfeasible structures is crucial for the selection of synthetic targets with desired functions.The local interatomic distance（LID） criteria are a set of structure rules strictly obeyed by all existing zeolite framework types. Using these criteria, many unfeasible hypothetical structures have been detected. However, to calculate their LIDs, all hypothetical structures need to be fully optimized without symmetry constraints. When evaluating a large number of hypothetical structures, such calculations may become too computationally expensive due to the forbiddingly high degree of freedom. Here, we propose calculating LIDs among structures optimized with symmetry constraints and using them as new structure evaluation criteria, i.e., the LIDsymcriteria, to screen out unfeasible hypothetical structures. We find that the LIDsymcriteria can detect unfeasible structures as many as the original non-symmetric LID criteria do, yet require at least one order of magnitude less computation at the initial geometry optimization stage.展开更多
基金Supported by Ministeral Level Advanced Research Foundation(65822576)Beijing Municipal Education Commission(KM201310858004,KM201310858001)
文摘In order to overcome the shortcomings of the previous obstacle avoidance algorithms,an obstacle avoidance algorithm applicable to multiple mobile obstacles was proposed.The minimum prediction distance between obstacles and a manipulator was obtained according to the states of obstacles and transformed to escape velocity of the corresponding link of the manipulator.The escape velocity was introduced to the gradient projection method to obtain the joint velocity of the manipulator so as to complete the obstacle avoidance trajectory planning.A7-DOF manipulator was used in the simulation,and the results verified the effectiveness of the algorithm.
基金supported by the National Natural Science Foundation of China(Nos.21622102,21621001 and 21320102001)the National Key Research and Development Program of China(No.2016YFB0701100)
文摘In silico prediction of potential synthetic targets is the prerequisite for function-led discovery of new zeolites. Millions of hypothetical zeolitic structures have been predicted via various computational methods, but most of them are experimentally inaccessible under conventional synthetic conditions.Screening out unfeasible structures is crucial for the selection of synthetic targets with desired functions.The local interatomic distance（LID） criteria are a set of structure rules strictly obeyed by all existing zeolite framework types. Using these criteria, many unfeasible hypothetical structures have been detected. However, to calculate their LIDs, all hypothetical structures need to be fully optimized without symmetry constraints. When evaluating a large number of hypothetical structures, such calculations may become too computationally expensive due to the forbiddingly high degree of freedom. Here, we propose calculating LIDs among structures optimized with symmetry constraints and using them as new structure evaluation criteria, i.e., the LIDsymcriteria, to screen out unfeasible hypothetical structures. We find that the LIDsymcriteria can detect unfeasible structures as many as the original non-symmetric LID criteria do, yet require at least one order of magnitude less computation at the initial geometry optimization stage.
