Based on the first-principles all-electron full-potential augmented-plane-wave plus local orbital method, an equation of state （EOS） at OK for copper up to 10000 GPa （10^8 bar） is presented. Our recommended EOS is...
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Based on the first-principles all-electron full-potential augmented-plane-wave plus local orbital method, an equation of state （EOS） at OK for copper up to 10000 GPa （10^8 bar） is presented. Our recommended EOS is in good agreement with the available experimental data. Furthermore, the agreement between theoretical EOS of hcp and fcc lattices at extremely compressed condition sets the foundation of spherical atom models for high density and high temperate plasmas.
Imperfect transmission conditions modelling a thin reactive intermediate layer between two bonded materials in a dissimilar strip are derived in this paper in most general case extending results obtained previously in...
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Imperfect transmission conditions modelling a thin reactive intermediate layer between two bonded materials in a dissimilar strip are derived in this paper in most general case extending results obtained previously in [1]. The interphase material is assumed to be heat-resistant and situated in a thin rectangular domain between the main materials.
Spectral embedding and spectral clustering are common methods for non-linear dimensionality reduction and clustering of complex high dimensional datasets. In this paper we provide a diffusion based probabilistic analy...
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ISBN:
(纸本)9783540737490
Spectral embedding and spectral clustering are common methods for non-linear dimensionality reduction and clustering of complex high dimensional datasets. In this paper we provide a diffusion based probabilistic analysis of algorithms that use the normalized graph Laplacian. Given the pairwise adjacency matrix of all points in a dataset, we define a random walk on the graph of points and a diffusion distance between any two points. We show that the diffusion distance is equal to the Euclidean distance in the embedded space with all eigenvectors of the normalized graph Laplacian. This identity shows that characteristic relaxation times and processes of the random walk on the graph are the key concept that governs the properties of these spectral clustering and spectral embedding algorithms. Specifically, for spectral clustering to succeed, a necessary condition is that the mean exit times from each cluster need to be significantly larger than the largest (slowest) of all relaxation times inside all of the individual clusters. For complex, multiscale data, this condition may not hold and multiscale methods need to be developed to handle such situations.
To handle high volume numerical data from simulations, a data reduction and compression scheme based on discrete wavelet transform was presented. By discrete wavelet transform, most energy of scientific data is concen...
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To handle high volume numerical data from simulations, a data reduction and compression scheme based on discrete wavelet transform was presented. By discrete wavelet transform, most energy of scientific data is concentrated into a smaller region. Wavelet coefficients can be selected by thresholded and still retain high percentage of energy of the original data. To optimize the threshold, objection function is constructed to balance model accuracy and data reduction. Reduced coefficients are then quantized and finally entropy encoded. Signal noise ratio and relative energy error are used to evaluate precision loss of data in the whole process. To show applicability of scheme, results obtained with plasma simulation data is presented. Extension of the work leads to efficient analysis and understanding of the GB or TB volume scientific data.
This paper is concerned with the pattern dynamics of the generalized nonlinear Schrodinger equations(NSEs)relatedwith various nonlinear physical problems in *** theoretical and numerical results show that the higher-o...
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This paper is concerned with the pattern dynamics of the generalized nonlinear Schrodinger equations(NSEs)relatedwith various nonlinear physical problems in *** theoretical and numerical results show that the higher-order nonlinear effects,acting as a Hamiltonian perturbation,break down the NSE integrability and lead to chaotic ***,coherent structures are destroyed and replaced by complex *** orbit crossings in the phase space and stochastic partition of energy in Fourier modes show typical characteristics of the stochastic *** investigations show that nonlinear phenomena,such as wave turbulence and laser filamentation,are associated with the homoclinic *** particular,we found that the unstable manifolds W(u)possessing the hyperbolic fixed point correspond to an initial phase θ=45° and 225° ,and the stable manifolds W(s)correspond toθ=135° and 315° .
In this paper, we study the initiial-boundary value problem of one class of nonlinear Schrodinger equations described in molecular crystals. Furthermore, the existence of the global solution is obtained by means of in...
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In this paper, we study the initiial-boundary value problem of one class of nonlinear Schrodinger equations described in molecular crystals. Furthermore, the existence of the global solution is obtained by means of interpolation inequality and a priori estimation.
Amorphous sputter-deposited NiTi thin films were subjected to pulsed, melt-mediated laser crystallization techniques to engineer their microstructure. The effects of laser processing of pre-heated films are examined. ...
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Amorphous sputter-deposited NiTi thin films were subjected to pulsed, melt-mediated laser crystallization techniques to engineer their microstructure. The effects of laser processing of pre-heated films are examined. Laser processing of films at an elevated temperature has a significant effect on the rate with which solidification occurs and therefore may be used as an added parameter to control the resulting microstructure. It is seen that the temperature at which processing is carried out has significant implications for the resulting phase and microstructure, and therefore mechanical properties. Furthermore, the microstructural effects of varying incident laser energy density are examined via atomic force microscopy (AFM), scanning electron microscopy (SEM) and x-ray diffraction (XRD), and mechanical/shape memory properties are characterized via nanoindentation.
Compositional lipid domains (“lipid rafts”) in plasma membranes are believed to be important components of many cellular processes. The mechanisms by which cells regulate the sizes and lifetimes of these spatially e...
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Compositional lipid domains (“lipid rafts”) in plasma membranes are believed to be important components of many cellular processes. The mechanisms by which cells regulate the sizes and lifetimes of these spatially extended domains are poorly understood at the moment. Here we show that the competition between phase separation in an immiscible lipid system and active cellular lipid transport processes naturally leads to the formation of such domains. Furthermore, we demonstrate that local interactions with immobile membrane proteins can spatially localize the rafts and lead to further clustering.
We study the stability of a two-component Bose-Einstein condensate (BEC) in the parameter regime in which its classical counterpart has regular motion. The stability is characterized by the fidelity for both the same ...
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We study the stability of a two-component Bose-Einstein condensate (BEC) in the parameter regime in which its classical counterpart has regular motion. The stability is characterized by the fidelity for both the same and different initial states. We study as initial states the Fock states with definite numbers of atoms in each component of the BEC. It is found that for some initial times the two Fock states with all the atoms in the same component of the BEC are more stable than Fock states with atoms distributed in the two components. An experimental scheme is discussed, in which the fidelity can be measured in a direct way.
We present a multiscale modeling approach that can simulate multimillion atoms effectively via density-functional theory. The method is based on the framework of the quasicontinuum (QC) approach with orbital-free dens...
We present a multiscale modeling approach that can simulate multimillion atoms effectively via density-functional theory. The method is based on the framework of the quasicontinuum (QC) approach with orbital-free density-functional theory (OFDFT) as its sole energetics formulation. The local QC part is formulated by the Cauchy-Born hypothesis with OFDFT calculations for strain energy and stress. The nonlocal QC part is treated by an OFDFT-based embedding approach, which couples OFDFT nonlocal atoms to local region atoms. The method—QCDFT—is applied to a nanoindentation study of an Al thin film, and the results are compared to a conventional QC approach. The results suggest that QCDFT represents a new direction for the quantum simulation of materials at length scales that are relevant to experiments.
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