Toward Predicting Full Catalytic Cycle Using Automatic Reaction Path Search Method: A Case Study on HCo(CO)3-Catalyzed Hydroformylation

2012 ◽  
Vol 8 (2) ◽  
pp. 380-385 ◽  
Author(s):  
Satoshi Maeda ◽  
Keiji Morokuma
2013 ◽  
Vol 2013 ◽  
pp. 1-8 ◽  
Author(s):  
De-Xin Yu ◽  
Zhao-Sheng Yang ◽  
Yao Yu ◽  
Xiu-Rong Jiang

Combined with improved Pallottino parallel algorithm, this paper proposes a large-scale route search method, which considers travelers’ route choice preferences. And urban road network is decomposed into multilayers effectively. Utilizing generalized travel time as road impedance function, the method builds a new multilayer and multitasking road network data storage structure with object-oriented class definition. Then, the proposed path search algorithm is verified by using the real road network of Guangzhou city as an example. By the sensitive experiments, we make a comparative analysis of the proposed path search method with the current advanced optimal path algorithms. The results demonstrate that the proposed method can increase the road network search efficiency by more than 16% under different search proportion requests, node numbers, and computing process numbers, respectively. Therefore, this method is a great breakthrough in the guidance field of urban road network.


2010 ◽  
Vol 4 (2) ◽  
Author(s):  
Nima Tolou ◽  
Gerwin Smit ◽  
Ali Asadi Nikooyan ◽  
Dick Plettenburg ◽  
Just Herder

Although hand prostheses with a cosmetic covering are commercially available for disabled people, the operating effort due to the stiffness of the mechanism is high. This results in high power requirements. This paper aims to present a new concept of mechanisms for the compensation of the nonlinear stiffness of hand prostheses by using statically balanced mechanisms with a nonlinear behavior. This concept was based on a combination of stability phases of snap-through buckling in bistable spring mechanisms to create the nonlinear balancing force. To demonstrate the efficiency of the concept, an optimized design for a case study of a child-sized hand prosthesis is also presented. A pattern search method was applied for the optimization. As a result, the calculated stiffness and, thereby, the operating effort was reduced by 96%. It can be concluded from the conceptual and numerical results that the presented concept provides a highly efficient solution to the discussed problem.


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