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Search results for: LENNARD-JONES FUNCTION
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Hydrophobic hydration and pairwise hydrophobic interaction of Lennard-Jones and Mie particles in different water models
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Buckling analysis of a non-concentric double-walled carbon nanotube
PublicationOn the basis of a theoretical study, this research incorporates an eccentricity into a system of compressed double-walled carbon nanotubes (DWCNTs). In order to formulate the stability equations, a kinematic displacement with reference to the classical beam hypothesis is utilized. Furthermore, the influence of nanoscale size is taken into account with regard to the nonlocal approach of strain gradient and the van der Waals interaction...
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Enhancing capabilities of Atomic Force Microscopy by tip motion harmonics analysis
PublicationMotion of a tip used in an atomic force microscope can be described by the Lennard-Jones potential, approximated by the van der Waals force in a long-range interaction. Here we present a general framework of approximation of the tip motion by adding three terms of Taylor series what results in non-zero harmonics in an output signal. We have worked out a measurement system which allows recording of an excitation tip signal and its...
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Thermal Buckling Analysis of Circular Bilayer Graphene sheets Resting on an Elastic Matrix Based on Nonlocal Continuum Mechanics
PublicationIn this article, the thermal buckling behavior of orthotropic circular bilayer graphene sheets embedded in the Winkler–Pasternak elastic medium is scrutinized. Using the nonlocal elasticity theory, the bilayer graphene sheets are modeled as a nonlocal double–layered plate that contains small scale effects and van der Waals (vdW) interaction forces. The vdW interaction forces between the layers are simulated as a set of linear springs...
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Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
PublicationIn this work, we shall estimate via computer simulations the homogeneous nucleation rate for the methane hydrate at 400 bars for a supercooling of about 35 K. The TIP4P/ICE model and a Lennard-Jones center were used for water and methane, respectively. To estimate the nucleation rate, the seeding technique was employed. Clusters of the methane hydrate of different sizes were inserted into the aqueous phase of a two-phase gas–liquid...
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Uniform Model Interface for Assurance Case Integration with System Models
PublicationAssurance cases are developed and maintained in parallel with corresponding system models and therefore need to reference each other. Managing the correctness and consistency of interrelated safety argument and system models is essential for system dependability and is a nontrivial task. The model interface presented in this paper enables a uniform process of establishing and managing assurance case references to various types...
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The smoothness test for a density function
PublicationThe problem of testing hypothesis that a density function has no more than μ derivatives versus it has more than μ derivatives is considered. For a solution, the L2 norms of wavelet orthogonal projections on some orthogonal ‘‘differences’’ of spaces from a multiresolution analysis is used. For the construction of the smoothness test an asymptotic distribution of a smoothness estimator is used. To analyze that asymptotic distribution,...
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A procedure for elastoplastic hardening function identification.
PublicationThe inverse analysis method for identifying a nonlinear hardening function,which governs a plastic yielding of soil and rock materials in the framework of elastoplastic theory is presented. A concept of two stage finite element based on spatial discretization of computational space and hardening function space is introduced. The proposed inverse analysis can be classified as the output least squares method. The Levenberg Marquard...
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FDTD-Compatible Green's function based on scalar discrete Green's function and multidimensional Z-transform
PublicationIn this contribution, a new formulation of the discrete Green's function (DGF) is presented for the finitedifference time-domain (FDTD) grid. Recently, dyadic DGF has been derived from the impulse response of the discretized scalar wave equation (i.e., scalar DGF) with the use of the multidimensional Z-transform. Its software implementation is straightforward because only elementary functions are involved and a single function...
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Recurrence scheme for FDTD-compatible discrete Green's function derived based on properties of Gauss hypergeometric function
PublicationIn this paper, the formulation of one-dimensional FDTD (Finite-difference time-domain)-compatible discrete Green's function (DGF) is derived based on the Gauss hypergeometric function (GHF). The properties of GHF make it possible to derive the recurrence scheme only in the time domain for the DGF generation. Furthermore, this recurrence scheme is valid for any stable time-step size and can be implemented using standard numerical...
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Green function diagonal for a class of heat equations
PublicationA construction of the heat kernel diagonal is considered as element of generalized zeta function theory, which gradient at the origin defines determinant of a differential operator in a technique for regularizing quadratic path integral. Some classes of explicit expressions of the Green function in the case of finite-gap potential coefficient of the heat equation are constructed. An algorithm and program for Mathematica are presented...
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Acceleration of the discrete Green's function computations
PublicationResults of the acceleration of the 3-D discrete Green's function (DGF) computations on the multicore processor are presented. The code was developed in the multiple precision arithmetic with use of the OpenMP parallel programming interface. As a result, the speedup factor of three orders of magnitude compared to the previous implementation was obtained thus applicability of the DGF in FDTD simulations was significantly improved.
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THE FUNCTION OF GREENERY IN A SKYSCRAPER: THE PLACEMENT AND ITS INFLUENCE
PublicationThe contrast between the high rise buildings; with their mostly geometric shapes, and the organic form of the greenery was visible even in the idea of a skyscraper. Yet the realizations and recent projects show emerging interest and the link between them. To better understand the developing function of the greenery in the context of a skyscraper, both literature and case studies are conducted. The aim is to relate the location...
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Firing map of an almost periodic input function
PublicationIn mathematical biology and the theory of electric networks the firing map of an integrate-and-fire system is a notion of importance. In order to prove useful properties of this map authors of previous papers assumed that the stimulus function f of the system ẋ = f(t,x) is continuous and usually periodic in the time variable. In this work we show that the required properties of the firing map for the simplified model ẋ = f(t) still...
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Accuracy of the discrete Green's function computations
PublicationThis paper discusses the accuracy of the discrete Green's function (DGF) computations. Recently closed-form expression of the DGF and its efficient numerical implementation were presented which facilitate the DGF applications in FDTD simulations of radiation and scattering problems. By carefully comparing the DGF results to those of the FDTD simulation, one can make conclusions about the range of the applicability of the DGF for...
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Windowing of the Discrete Green's Function for Accurate FDTD Computations
PublicationThe paper presents systematic evaluation of the applicability of parametric and nonparametric window functions for truncation of the discrete Green's function (DGF). This function is directly derived from the FDTD update equations, thus the FDTD method and its integral discrete formulation can be perfectly coupled using DGF. Unfortunately, the DGF computations require processor time, hence DGF has to be truncated with appropriate...
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Port-based approach to distributed transfer function method
PublicationIn the paper there is presented an uniform, port-based approach to modeling of both lumped and distributed parameter systems. Port-based model of distributed system has been defined by application of distributed transfer function method (DTFM). The approach proposed combines versatility of port - based modeling and accuracy of distributed transfer function method. It enables to formulate appropriate input data for computer analysis...
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The Concept of Using the Decision-Robustness Function in Integrated Navigation Systems
PublicationThe diversity and non-uniformity of the positioning systems available in maritime navigation systems often impede the watchkeeping officer in the selection of the appropriate positioning system, in particular, in restricted basins. Thus, it is necessary to introduce a mathematical apparatus to suggest, in an automated manner, which of the available systems should be used at the given moment of a sea trip. Proper selection of the...
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Local basis function estimators for identification of nonstationary systems
PublicationThe problem of identification of a nonstationary stochastic system is considered and solved using local basis function approximation of system parameter trajectories. Unlike the classical basis function approach, which yields parameter estimates in the entire analysis interval, the proposed new identification procedure is operated in a sliding window mode and provides a sequence of point (rather than interval) estimates. It is...
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Roughness evaluation of turned composite surfaces by analysis of the shape of Autocorrelation Function
PublicationIn this paper, the application of an Autocorrelation Function for the characterisation of surface topography was validated. The roughness evaluation of turned composite surfaces was supported by sophisticated studies of the Autocorrelation Function properties, considering especially the shape of the function. Details were measured with the optical method. The selection of the surface roughness evaluation procedures was carried...