Surface reconstruction from unorganized data points is a challenging problem in Computer Aided Design and Geometric Modeling. In this paper, we extend the mathematical model proposed by Juttler and Felis （Adv. Comput...Surface reconstruction from unorganized data points is a challenging problem in Computer Aided Design and Geometric Modeling. In this paper, we extend the mathematical model proposed by Juttler and Felis （Adv. Comput. Math., 17 （2002）, pp. 135-152） based on tensor product algebraic spline surfaces from fixed meshes to adaptive meshes. We start with a tensor product algebraic B-spline surface defined on an initial mesh to fit the given data based on an optimization approach. By measuring the fitting errors over each cell of the mesh, we recursively insert new knots in cells over which the errors are larger than some given threshold, and construct a new algebraic spline surface to better fit the given data locally. The algorithm terminates when the error over each cell is less than the threshold. We provide some examples to demonstrate our algorithm and compare it with Juttler＇s method. Examples suggest that our method is effective and is able to produce reconstruction surfaces of high quality.展开更多
An efficient novel algorithm was developed to estimate the Density of States(DOS) for large systems by calculating the ensemble means of an extensive physical variable, such as the potential energy, U, in generalized ...An efficient novel algorithm was developed to estimate the Density of States(DOS) for large systems by calculating the ensemble means of an extensive physical variable, such as the potential energy, U, in generalized canonical ensembles to interpolate the interior reverse temperature curve β_s(U)=SU/U, where S(U) is the logarithm of the DOS. This curve is computed with different accuracies in different energy regions to capture the dependence of the reverse temperature on U without setting prior grid in the U space. By combining with a U-compression transformation, we decrease the computational complexity from O(N3/2) in the normal Wang Landau type method to O(N1/2) in the current algorithm, as the degrees of freedom of system N. The efficiency of the algorithm is demonstrated by applying to Lennard Jones fluids with various N, along with its ability to find different macroscopic states, including metastable states.展开更多
基金supported by the National Key Basic Research Project of China(No.2004CB318000)One Hundred Talent Project of the Chinese Academy of Sciences,the NSF of China(No.60225002,No.60533060)Doctorial Program of MOE of China and the 111 Project(No.B07033).
文摘Surface reconstruction from unorganized data points is a challenging problem in Computer Aided Design and Geometric Modeling. In this paper, we extend the mathematical model proposed by Juttler and Felis （Adv. Comput. Math., 17 （2002）, pp. 135-152） based on tensor product algebraic spline surfaces from fixed meshes to adaptive meshes. We start with a tensor product algebraic B-spline surface defined on an initial mesh to fit the given data based on an optimization approach. By measuring the fitting errors over each cell of the mesh, we recursively insert new knots in cells over which the errors are larger than some given threshold, and construct a new algebraic spline surface to better fit the given data locally. The algorithm terminates when the error over each cell is less than the threshold. We provide some examples to demonstrate our algorithm and compare it with Juttler＇s method. Examples suggest that our method is effective and is able to produce reconstruction surfaces of high quality.
基金supported by the National Natural Science Foundation of China(Grant No.11175250)the Open Project Grant from the StateKey Laboratory of Theoretical PhysicsZhou X thanks the financial support of the Hundred of Talents Program in Chinese Academy of Sciences
文摘An efficient novel algorithm was developed to estimate the Density of States(DOS) for large systems by calculating the ensemble means of an extensive physical variable, such as the potential energy, U, in generalized canonical ensembles to interpolate the interior reverse temperature curve β_s(U)=SU/U, where S(U) is the logarithm of the DOS. This curve is computed with different accuracies in different energy regions to capture the dependence of the reverse temperature on U without setting prior grid in the U space. By combining with a U-compression transformation, we decrease the computational complexity from O(N3/2) in the normal Wang Landau type method to O(N1/2) in the current algorithm, as the degrees of freedom of system N. The efficiency of the algorithm is demonstrated by applying to Lennard Jones fluids with various N, along with its ability to find different macroscopic states, including metastable states.
