Objective To investigate the flexibility and mobility of the Bacillus thuringiensis toxin Cry1 Aa. Methods The graph theory-based program Constraint Network Analysis and normal mode-based program NMsim were used to an...Objective To investigate the flexibility and mobility of the Bacillus thuringiensis toxin Cry1 Aa. Methods The graph theory-based program Constraint Network Analysis and normal mode-based program NMsim were used to analyze the global and local flexibility indices as well as the fluctuation of individual residues in detail. Results The decrease in Cry1 Aa network rigidity with the increase of temperature was evident. Two phase transition points in which the Cry1 Aa structure lost rigidity during the thermal simulation were identified. Two rigid clusters were found in domains I and II. Weak spots were found in C-terminal domain III. Several flexible regions were found in all three domains; the largest residue fluctuation was present in the apical loop2 of domain II. Conclusion Although several flexible regions could be found in all the three domains, the most flexible regions were in the apical loops of domain II.展开更多
In this paper a computational methodology on impact dynamics of the flexible multibody system is presented. First, the floating frame of reference approach and nodal coordinates on the basis of finite element formulat...In this paper a computational methodology on impact dynamics of the flexible multibody system is presented. First, the floating frame of reference approach and nodal coordinates on the basis of finite element formulation are used to describe the kinematics of planar deformable bodies. According to the kinematic description of contact conditions, the contact constraint equations of planar flexible bodies are derived. Based on the varying topology technique the impact dynamic equations for a planar multibody system are established. Then the initial conditions of the equations in each contact stage are determined according to the discontinuity theory in continuum mechanics. The experiments between the aluminum rods are performed to check the correctness of the proposed method. Through the comparison between the numerical and experimental results the proposed method is validated. Experimental results also show that the impulse momentum method cannot accurately predict the complex impact dynamic phenomena and the continuous model may lead to a serious error when used to simulate the impact problems with significant wave propagation effects.展开更多
Line configuration and balancing is to select the type of line and allot a given set of operations as well as machines to a sequence of workstations to realize high-efficiency production. Most of the current researche...Line configuration and balancing is to select the type of line and allot a given set of operations as well as machines to a sequence of workstations to realize high-efficiency production. Most of the current researches for machining line configuration and balancing problems are related to dedicated transfer lines with dedicated machine workstations. With growing trends towards great product variety and fluctuations in market demand, dedicated transfer lines are being replaced with flexible machining line composed of identical CNC machines. This paper deals with the line configuration and balancing problem for flexible machining lines. The objective is to assign operations to workstations and find the sequence of execution, specify the number of machines in each workstation while minimizing the line cycle time and total number of machines. This problem is subject to precedence, clustering, accessibility and capacity constraints among the features, operations, setups and workstations. The mathematical model and heuristic algorithm based on feature group strategy and polychromatic sets theory are presented to find an optimal solution. The feature group strategy and polychromatic sets theory are used to establish constraint model. A heuristic operations sequencing and assignment algorithm is given. An industrial case study is carried out, and multiple optimal solutions in different line configurations are obtained. The case studying results show that the solutions with shorter cycle time and higher line balancing rate demonstrate the feasibility and effectiveness of the proposed algorithm. This research proposes a heuristic line configuration and balancing algorithm based on feature group strategy and polychromatic sets theory which is able to provide better solutions while achieving an improvement in computing time.展开更多
The efficient and safe operation of large fusion devices strongly relies on the plasma configuration inside the vacuum chamber.It is important to construct the proper plasma equilibrium with a desired plasma configura...The efficient and safe operation of large fusion devices strongly relies on the plasma configuration inside the vacuum chamber.It is important to construct the proper plasma equilibrium with a desired plasma configuration.In order to construct the target configuration,a shape constraint module has been developed in the tokamak simulation code（TSC）,which controls the poloidal flux and the magnetic field at several defined control points.It is used to construct the double null,lower single null,and quasi-snowflake configurations for the required target shape and calculate the required PF coils current.The flexibility and practicability of this method have been verified by the simulated results.展开更多
Non-negative matrix factorization （NMF） is a popular feature encoding method for image understanding due to its non-negative properties in representation, but the learnt basis images are not always local due to the ...Non-negative matrix factorization （NMF） is a popular feature encoding method for image understanding due to its non-negative properties in representation, but the learnt basis images are not always local due to the lack of explicit constraints in its objective. Various algebraic or geometric local constraints are hence proposed to shape the behaviour of the original NMF. Such constraints are usually rigid in the sense that they have to be specified beforehand instead of learning from the data. In this paper, we propose a flexible spatial constraint method for NMF learning based on factor analysis. Particularly, to learn the local spatial structure of the images, we apply a series of transformations such as orthogonal rotation and thresholding to the factor loading matrix obtained through factor analysis. Then we map the transformed loading matrix into a Laplacian matrix and incorporate this into a max-margin non-negative matrix factorization framework as a penalty term, aiming to learn a representation space which is non-negative, discriminative and localstructure-preserving. We verify the feasibility and effectiveness of the proposed method on several real world datasets with encouraging results.展开更多
基金supported by grants from the National Natural Science Foundation of China(No.30670052)863 Program of China(No.2006AA02Z187)
文摘Objective To investigate the flexibility and mobility of the Bacillus thuringiensis toxin Cry1 Aa. Methods The graph theory-based program Constraint Network Analysis and normal mode-based program NMsim were used to analyze the global and local flexibility indices as well as the fluctuation of individual residues in detail. Results The decrease in Cry1 Aa network rigidity with the increase of temperature was evident. Two phase transition points in which the Cry1 Aa structure lost rigidity during the thermal simulation were identified. Two rigid clusters were found in domains I and II. Weak spots were found in C-terminal domain III. Several flexible regions were found in all three domains; the largest residue fluctuation was present in the apical loop2 of domain II. Conclusion Although several flexible regions could be found in all the three domains, the most flexible regions were in the apical loops of domain II.
基金supported by the National Natural Science Foundation of China (10772113)
文摘In this paper a computational methodology on impact dynamics of the flexible multibody system is presented. First, the floating frame of reference approach and nodal coordinates on the basis of finite element formulation are used to describe the kinematics of planar deformable bodies. According to the kinematic description of contact conditions, the contact constraint equations of planar flexible bodies are derived. Based on the varying topology technique the impact dynamic equations for a planar multibody system are established. Then the initial conditions of the equations in each contact stage are determined according to the discontinuity theory in continuum mechanics. The experiments between the aluminum rods are performed to check the correctness of the proposed method. Through the comparison between the numerical and experimental results the proposed method is validated. Experimental results also show that the impulse momentum method cannot accurately predict the complex impact dynamic phenomena and the continuous model may lead to a serious error when used to simulate the impact problems with significant wave propagation effects.
基金Supported by Shanghai Municipal Science and Technology Commission(Grant No.12JC1408700)National Science and Technology Major Project of the Ministry of Science and Technology of China(Grant Nos.2013ZX04012-071,2011ZX04015-022)
文摘Line configuration and balancing is to select the type of line and allot a given set of operations as well as machines to a sequence of workstations to realize high-efficiency production. Most of the current researches for machining line configuration and balancing problems are related to dedicated transfer lines with dedicated machine workstations. With growing trends towards great product variety and fluctuations in market demand, dedicated transfer lines are being replaced with flexible machining line composed of identical CNC machines. This paper deals with the line configuration and balancing problem for flexible machining lines. The objective is to assign operations to workstations and find the sequence of execution, specify the number of machines in each workstation while minimizing the line cycle time and total number of machines. This problem is subject to precedence, clustering, accessibility and capacity constraints among the features, operations, setups and workstations. The mathematical model and heuristic algorithm based on feature group strategy and polychromatic sets theory are presented to find an optimal solution. The feature group strategy and polychromatic sets theory are used to establish constraint model. A heuristic operations sequencing and assignment algorithm is given. An industrial case study is carried out, and multiple optimal solutions in different line configurations are obtained. The case studying results show that the solutions with shorter cycle time and higher line balancing rate demonstrate the feasibility and effectiveness of the proposed algorithm. This research proposes a heuristic line configuration and balancing algorithm based on feature group strategy and polychromatic sets theory which is able to provide better solutions while achieving an improvement in computing time.
基金Project supported by the National Magnetic Confinement Fusion Research Program of China(Grant Nos.2014GB103000 and 2014GB110003)the National Natural Science Foundation of China(Grant Nos.11305216,11305209,and 11375191)External Cooperation Program of BIC,Chinese Academy of Sciences(Grant No.GJHZ201303)
文摘The efficient and safe operation of large fusion devices strongly relies on the plasma configuration inside the vacuum chamber.It is important to construct the proper plasma equilibrium with a desired plasma configuration.In order to construct the target configuration,a shape constraint module has been developed in the tokamak simulation code（TSC）,which controls the poloidal flux and the magnetic field at several defined control points.It is used to construct the double null,lower single null,and quasi-snowflake configurations for the required target shape and calculate the required PF coils current.The flexibility and practicability of this method have been verified by the simulated results.
文摘Non-negative matrix factorization （NMF） is a popular feature encoding method for image understanding due to its non-negative properties in representation, but the learnt basis images are not always local due to the lack of explicit constraints in its objective. Various algebraic or geometric local constraints are hence proposed to shape the behaviour of the original NMF. Such constraints are usually rigid in the sense that they have to be specified beforehand instead of learning from the data. In this paper, we propose a flexible spatial constraint method for NMF learning based on factor analysis. Particularly, to learn the local spatial structure of the images, we apply a series of transformations such as orthogonal rotation and thresholding to the factor loading matrix obtained through factor analysis. Then we map the transformed loading matrix into a Laplacian matrix and incorporate this into a max-margin non-negative matrix factorization framework as a penalty term, aiming to learn a representation space which is non-negative, discriminative and localstructure-preserving. We verify the feasibility and effectiveness of the proposed method on several real world datasets with encouraging results.
